11521 lines
1.5 MiB
11521 lines
1.5 MiB
* GENERATED BY CHARMM-GUI FF-Converter
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* DATE: 04/18/25 09:07:49
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*
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11516 EXT
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203 201 GLY HY2 -0.4761696405 -3.8411481886 29.5559324409 PAA1 2 0.0000000000
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|
204 201 GLY HY3 -1.8442703017 -2.6670815456 29.5921178510 PAA1 2 0.0000000000
|
|
205 201 GLY CY 0.0740451289 -1.8541749115 30.1850910530 PAA1 2 0.0000000000
|
|
206 201 GLY OY 0.5257771674 -1.4690412262 31.1998611286 PAA1 2 0.0000000000
|
|
207 201 GLY N 0.3473168650 -1.2843533202 28.9734682281 PAA1 2 0.0000000000
|
|
208 201 GLY HN -0.0723083687 -1.6208800116 28.1423740128 PAA1 2 0.0000000000
|
|
209 201 GLY CA 1.2071976136 -0.0993054618 28.8683872196 PAA1 2 0.0000000000
|
|
210 201 GLY HA1 1.3031127476 0.1051291477 27.8122800323 PAA1 2 0.0000000000
|
|
211 201 GLY HA2 2.1502803347 -0.3157465063 29.3448143474 PAA1 2 0.0000000000
|
|
212 201 GLY C 0.6308145539 1.1482209428 29.5075604509 PAA1 2 0.0000000000
|
|
213 201 GLY O -0.5217897773 1.1588214726 29.9499851929 PAA1 2 0.0000000000
|
|
214 201 GLY NT 1.4048542280 2.2489106977 29.5903076883 PAA1 2 0.0000000000
|
|
215 201 GLY HNT 2.3600405467 2.2650887489 29.3031400314 PAA1 2 0.0000000000
|
|
216 201 GLY CAT 0.9211299588 3.4752925924 30.1682742954 PAA1 2 0.0000000000
|
|
217 201 GLY HT1 0.8529316798 3.3761998009 31.2727365412 PAA1 2 0.0000000000
|
|
218 201 GLY HT2 -0.0887962485 3.7384503211 29.7747341352 PAA1 2 0.0000000000
|
|
219 201 GLY HT3 1.6127770591 4.3133042710 29.9320889527 PAA1 2 0.0000000000
|
|
220 202 TIP3 OH2 12.4560574825 10.2120779263 6.8667853123 SOLV 1 0.0000000000
|
|
221 202 TIP3 H1 12.1593836014 11.1431737760 6.7290885712 SOLV 1 0.0000000000
|
|
222 202 TIP3 H2 11.7708822762 9.7480072482 6.3470713309 SOLV 1 0.0000000000
|
|
223 203 TIP3 OH2 11.0998014308 9.1604088735 10.9199102038 SOLV 2 0.0000000000
|
|
224 203 TIP3 H1 11.4883188721 8.6926062029 11.6818926225 SOLV 2 0.0000000000
|
|
225 203 TIP3 H2 10.5539946211 8.4264341163 10.5425710329 SOLV 2 0.0000000000
|
|
226 204 TIP3 OH2 3.0811255723 8.6114730295 12.0045869132 SOLV 3 0.0000000000
|
|
227 204 TIP3 H1 3.2845000297 7.9900970090 12.7183426755 SOLV 3 0.0000000000
|
|
228 204 TIP3 H2 3.9845717242 8.8813655340 11.7365672691 SOLV 3 0.0000000000
|
|
229 205 TIP3 OH2 14.6969178716 12.3162941907 9.1739038126 SOLV 4 0.0000000000
|
|
230 205 TIP3 H1 14.4489394072 11.5737107222 9.7332990281 SOLV 4 0.0000000000
|
|
231 205 TIP3 H2 14.9616423513 12.9773113051 9.8393316478 SOLV 4 0.0000000000
|
|
232 206 TIP3 OH2 4.7275078680 13.6726587778 10.6175711559 SOLV 5 0.0000000000
|
|
233 206 TIP3 H1 4.3069983532 12.8397742621 10.3146132286 SOLV 5 0.0000000000
|
|
234 206 TIP3 H2 5.6629786553 13.4334182960 10.4794512078 SOLV 5 0.0000000000
|
|
235 207 TIP3 OH2 1.0441031968 7.1388477429 6.2764674896 SOLV 6 0.0000000000
|
|
236 207 TIP3 H1 0.6265291258 8.0205265327 6.3970216560 SOLV 6 0.0000000000
|
|
237 207 TIP3 H2 0.8358024196 6.7135680546 7.1195086157 SOLV 6 0.0000000000
|
|
238 208 TIP3 OH2 2.2732292125 9.2409332646 8.9060357059 SOLV 7 0.0000000000
|
|
239 208 TIP3 H1 2.1519038690 8.2709256046 8.8562981950 SOLV 7 0.0000000000
|
|
240 208 TIP3 H2 2.3405087795 9.5132022321 7.9753109445 SOLV 7 0.0000000000
|
|
241 209 TIP3 OH2 12.1410935770 17.4207067876 9.5541031836 SOLV 8 0.0000000000
|
|
242 209 TIP3 H1 12.5461178320 16.8644607690 8.8470086570 SOLV 8 0.0000000000
|
|
243 209 TIP3 H2 11.5534836335 16.7712102609 9.9632488236 SOLV 8 0.0000000000
|
|
244 210 TIP3 OH2 9.2979233580 12.1486757161 10.9501529635 SOLV 9 0.0000000000
|
|
245 210 TIP3 H1 9.5236329474 11.3769589803 10.3929164508 SOLV 9 0.0000000000
|
|
246 210 TIP3 H2 10.1334497775 12.2653527031 11.4468905727 SOLV 9 0.0000000000
|
|
247 211 TIP3 OH2 18.1575033690 3.4090020421 11.7400738900 SOLV 10 0.0000000000
|
|
248 211 TIP3 H1 18.4441654341 3.9694064698 12.4891806301 SOLV 10 0.0000000000
|
|
249 211 TIP3 H2 18.6862623947 3.8128704477 11.0258952339 SOLV 10 0.0000000000
|
|
250 212 TIP3 OH2 12.7947374994 6.0928741376 11.0894270511 SOLV 11 0.0000000000
|
|
251 212 TIP3 H1 12.8441418448 5.1384783042 11.2572765626 SOLV 11 0.0000000000
|
|
252 212 TIP3 H2 12.5082925223 6.0867686729 10.1451731098 SOLV 11 0.0000000000
|
|
253 213 TIP3 OH2 5.8307186945 4.2283498163 8.4690617595 SOLV 12 0.0000000000
|
|
254 213 TIP3 H1 6.0044670034 5.0253144468 7.9354043228 SOLV 12 0.0000000000
|
|
255 213 TIP3 H2 5.4681071836 3.5996542915 7.7881945802 SOLV 12 0.0000000000
|
|
256 214 TIP3 OH2 13.8453179975 4.3729506846 6.8579174102 SOLV 13 0.0000000000
|
|
257 214 TIP3 H1 14.2881261370 4.0481106059 7.6719073192 SOLV 13 0.0000000000
|
|
258 214 TIP3 H2 14.5165976147 4.9532549940 6.4542022251 SOLV 13 0.0000000000
|
|
259 215 TIP3 OH2 2.1411617403 6.3772044054 9.1297133112 SOLV 14 0.0000000000
|
|
260 215 TIP3 H1 2.7653146836 6.1368574099 9.8437741799 SOLV 14 0.0000000000
|
|
261 215 TIP3 H2 2.6520489216 6.0877915361 8.3355409880 SOLV 14 0.0000000000
|
|
262 216 TIP3 OH2 7.2745147154 8.2206334244 9.1497646825 SOLV 15 0.0000000000
|
|
263 216 TIP3 H1 8.1676962673 7.8408495458 9.2342086155 SOLV 15 0.0000000000
|
|
264 216 TIP3 H2 6.8879491458 7.6370215578 8.4578304209 SOLV 15 0.0000000000
|
|
265 217 TIP3 OH2 18.6147148636 5.1234020827 13.8149280036 SOLV 16 0.0000000000
|
|
266 217 TIP3 H1 17.8094941774 5.6571144164 13.6595324667 SOLV 16 0.0000000000
|
|
267 217 TIP3 H2 18.6004867180 5.0486896020 14.7888790857 SOLV 16 0.0000000000
|
|
268 218 TIP3 OH2 4.8200551247 3.2961854035 12.5661373740 SOLV 17 0.0000000000
|
|
269 218 TIP3 H1 4.3077072529 3.6243942620 11.8013136994 SOLV 17 0.0000000000
|
|
270 218 TIP3 H2 4.2101311001 3.5777860344 13.2821592173 SOLV 17 0.0000000000
|
|
271 219 TIP3 OH2 11.7459551335 12.5899743510 6.0305775269 SOLV 18 0.0000000000
|
|
272 219 TIP3 H1 11.1585525097 12.3828788401 5.2898811459 SOLV 18 0.0000000000
|
|
273 219 TIP3 H2 11.4526529471 13.5168508207 6.2222562125 SOLV 18 0.0000000000
|
|
274 220 TIP3 OH2 7.1539677029 11.0510608441 12.4476758125 SOLV 19 0.0000000000
|
|
275 220 TIP3 H1 6.5980474180 11.8269628215 12.7108053065 SOLV 19 0.0000000000
|
|
276 220 TIP3 H2 7.8603306494 11.4653535520 11.9333938139 SOLV 19 0.0000000000
|
|
277 221 TIP3 OH2 14.8839136047 3.7452316659 9.3373974488 SOLV 20 0.0000000000
|
|
278 221 TIP3 H1 14.0319866137 3.5975964041 9.8150281602 SOLV 20 0.0000000000
|
|
279 221 TIP3 H2 15.3229611409 4.4224158673 9.8738563778 SOLV 20 0.0000000000
|
|
280 222 TIP3 OH2 4.1098403131 5.0268105493 10.5978636893 SOLV 21 0.0000000000
|
|
281 222 TIP3 H1 4.8113450947 5.5163208296 11.0904346138 SOLV 21 0.0000000000
|
|
282 222 TIP3 H2 4.6240540636 4.7274143076 9.8129711293 SOLV 21 0.0000000000
|
|
283 223 TIP3 OH2 5.6009820781 13.1386511799 13.5387572960 SOLV 22 0.0000000000
|
|
284 223 TIP3 H1 5.5724177840 14.1036163242 13.4124986795 SOLV 22 0.0000000000
|
|
285 223 TIP3 H2 4.7318587670 12.9849944672 13.9602146082 SOLV 22 0.0000000000
|
|
286 224 TIP3 OH2 1.3257023342 12.6747829281 4.0764865700 SOLV 23 0.0000000000
|
|
287 224 TIP3 H1 1.3806961231 12.9172095569 3.1302176582 SOLV 23 0.0000000000
|
|
288 224 TIP3 H2 1.5925160228 13.4994099654 4.5313017556 SOLV 23 0.0000000000
|
|
289 225 TIP3 OH2 15.2318251418 14.2773925904 11.1259441346 SOLV 24 0.0000000000
|
|
290 225 TIP3 H1 14.2748573091 14.3985771863 11.3228423310 SOLV 24 0.0000000000
|
|
291 225 TIP3 H2 15.4291741546 15.1825400211 10.8231581785 SOLV 24 0.0000000000
|
|
292 226 TIP3 OH2 15.6711949602 2.8503075028 12.7481300565 SOLV 25 0.0000000000
|
|
293 226 TIP3 H1 15.0913775800 3.0147563501 11.9858994510 SOLV 25 0.0000000000
|
|
294 226 TIP3 H2 16.5636365422 3.0318253978 12.3677021279 SOLV 25 0.0000000000
|
|
295 227 TIP3 OH2 8.1067210483 1.1553912754 9.6568282337 SOLV 26 0.0000000000
|
|
296 227 TIP3 H1 8.5794125454 0.4392003840 10.1317408212 SOLV 26 0.0000000000
|
|
297 227 TIP3 H2 7.2866950727 1.1882130361 10.1813512145 SOLV 26 0.0000000000
|
|
298 228 TIP3 OH2 13.3263871954 16.2007206634 7.3109870705 SOLV 27 0.0000000000
|
|
299 228 TIP3 H1 13.6543117065 15.2908653379 7.1278762904 SOLV 27 0.0000000000
|
|
300 228 TIP3 H2 14.1941247834 16.6734446856 7.2690180533 SOLV 27 0.0000000000
|
|
301 229 TIP3 OH2 14.3243754928 13.7759924819 6.5946835196 SOLV 28 0.0000000000
|
|
302 229 TIP3 H1 13.5505627779 13.2278689345 6.3657081458 SOLV 28 0.0000000000
|
|
303 229 TIP3 H2 14.6997492896 13.2336490358 7.3257927583 SOLV 28 0.0000000000
|
|
304 230 TIP3 OH2 16.0838008724 12.3974111729 14.7793997151 SOLV 29 0.0000000000
|
|
305 230 TIP3 H1 16.1741405096 11.7565271040 14.0401481337 SOLV 29 0.0000000000
|
|
306 230 TIP3 H2 16.3594606655 13.2133514185 14.2929696287 SOLV 29 0.0000000000
|
|
307 231 TIP3 OH2 10.5779702213 9.2544432906 4.9382322294 SOLV 30 0.0000000000
|
|
308 231 TIP3 H1 9.7258683532 9.7259400237 5.0563886630 SOLV 30 0.0000000000
|
|
309 231 TIP3 H2 10.7277570987 9.5638473874 4.0358328138 SOLV 30 0.0000000000
|
|
310 232 TIP3 OH2 11.1124318868 7.6899056522 0.8748259852 SOLV 31 0.0000000000
|
|
311 232 TIP3 H1 11.8384991283 8.1020516051 1.3681977146 SOLV 31 0.0000000000
|
|
312 232 TIP3 H2 11.6240432989 7.0663846294 0.3069636819 SOLV 31 0.0000000000
|
|
313 233 TIP3 OH2 17.9687737362 9.0483899354 12.8661723969 SOLV 32 0.0000000000
|
|
314 233 TIP3 H1 17.2933548007 9.7587978517 12.7790001464 SOLV 32 0.0000000000
|
|
315 233 TIP3 H2 18.5829178654 9.2923933307 12.1337929617 SOLV 32 0.0000000000
|
|
316 234 TIP3 OH2 14.3687071649 9.4312558144 5.2436329600 SOLV 33 0.0000000000
|
|
317 234 TIP3 H1 13.7071194513 9.7509985027 5.9101817846 SOLV 33 0.0000000000
|
|
318 234 TIP3 H2 15.0937574600 9.1108639931 5.8121255103 SOLV 33 0.0000000000
|
|
319 235 TIP3 OH2 13.9195702816 7.6333205283 14.9082838840 SOLV 34 0.0000000000
|
|
320 235 TIP3 H1 13.6575023573 8.3429989397 15.5235788848 SOLV 34 0.0000000000
|
|
321 235 TIP3 H2 13.2944962386 7.7948629931 14.1592200267 SOLV 34 0.0000000000
|
|
322 236 TIP3 OH2 5.3769406348 10.0897668649 7.6344711325 SOLV 35 0.0000000000
|
|
323 236 TIP3 H1 5.0124961091 9.7103150043 6.8068564643 SOLV 35 0.0000000000
|
|
324 236 TIP3 H2 6.1354091920 9.5090686956 7.7865674928 SOLV 35 0.0000000000
|
|
325 237 TIP3 OH2 7.2870517636 13.5837877250 9.9125210378 SOLV 36 0.0000000000
|
|
326 237 TIP3 H1 7.2913717726 13.1513373118 9.0515260604 SOLV 36 0.0000000000
|
|
327 237 TIP3 H2 8.0486379588 13.1558810387 10.3651237168 SOLV 36 0.0000000000
|
|
328 238 TIP3 OH2 5.8875072795 8.8564996431 11.3686573757 SOLV 37 0.0000000000
|
|
329 238 TIP3 H1 6.3410219842 8.8166981651 10.4937920645 SOLV 37 0.0000000000
|
|
330 238 TIP3 H2 6.2934370900 9.6606840368 11.7662666786 SOLV 37 0.0000000000
|
|
331 239 TIP3 OH2 12.7558596008 14.5770856268 11.9074293160 SOLV 38 0.0000000000
|
|
332 239 TIP3 H1 12.5257277683 15.1917808457 12.6264975316 SOLV 38 0.0000000000
|
|
333 239 TIP3 H2 12.2289260000 13.7925612421 12.1499804958 SOLV 38 0.0000000000
|
|
334 240 TIP3 OH2 7.0860781712 13.3381512544 15.7502142239 SOLV 39 0.0000000000
|
|
335 240 TIP3 H1 6.3185323246 13.7709484699 16.1848435899 SOLV 39 0.0000000000
|
|
336 240 TIP3 H2 6.6965965478 13.1287263348 14.8693904745 SOLV 39 0.0000000000
|
|
337 241 TIP3 OH2 13.2308784358 8.4286720717 2.8739353839 SOLV 40 0.0000000000
|
|
338 241 TIP3 H1 13.4597579244 8.9621578952 3.6588550641 SOLV 40 0.0000000000
|
|
339 241 TIP3 H2 13.6279413930 8.9821971703 2.1588085939 SOLV 40 0.0000000000
|
|
340 242 TIP3 OH2 3.9706592263 9.0209797279 15.3772351329 SOLV 41 0.0000000000
|
|
341 242 TIP3 H1 4.0310903284 9.9051598776 15.7946227535 SOLV 41 0.0000000000
|
|
342 242 TIP3 H2 3.0352359931 9.0617230750 15.0845428782 SOLV 41 0.0000000000
|
|
343 243 TIP3 OH2 11.0377402069 15.0350105529 6.5135238694 SOLV 42 0.0000000000
|
|
344 243 TIP3 H1 11.6606476990 15.6765385284 6.9011778526 SOLV 42 0.0000000000
|
|
345 243 TIP3 H2 10.4324321692 15.6004543613 6.0142948916 SOLV 42 0.0000000000
|
|
346 244 TIP3 OH2 5.1709005815 15.0513177067 16.4737503419 SOLV 43 0.0000000000
|
|
347 244 TIP3 H1 5.2759438400 15.4060477701 15.5716923119 SOLV 43 0.0000000000
|
|
348 244 TIP3 H2 4.2131163773 15.1469764612 16.6225667849 SOLV 43 0.0000000000
|
|
349 245 TIP3 OH2 16.6955109973 0.7066103179 2.2210852123 SOLV 44 0.0000000000
|
|
350 245 TIP3 H1 15.9745266384 1.1333008837 2.7108775831 SOLV 44 0.0000000000
|
|
351 245 TIP3 H2 17.3465916985 1.4374440570 2.1150506523 SOLV 44 0.0000000000
|
|
352 246 TIP3 OH2 4.4618548585 9.0850671178 5.3575495722 SOLV 45 0.0000000000
|
|
353 246 TIP3 H1 4.6673838144 9.8233280488 4.7558626759 SOLV 45 0.0000000000
|
|
354 246 TIP3 H2 4.5938911307 8.3127544879 4.7919893768 SOLV 45 0.0000000000
|
|
355 247 TIP3 OH2 17.9166706125 14.8984992670 1.7836068756 SOLV 46 0.0000000000
|
|
356 247 TIP3 H1 18.2417756935 15.7910464026 1.6119782771 SOLV 46 0.0000000000
|
|
357 247 TIP3 H2 18.7537652351 14.3915672753 1.7202861027 SOLV 46 0.0000000000
|
|
358 248 TIP3 OH2 1.4811271253 11.6078660429 14.3470698153 SOLV 47 0.0000000000
|
|
359 248 TIP3 H1 0.9206961881 11.8066169394 13.5654994343 SOLV 47 0.0000000000
|
|
360 248 TIP3 H2 1.4071024664 10.6376400395 14.3563759064 SOLV 47 0.0000000000
|
|
361 249 TIP3 OH2 1.0992683915 14.6126846119 10.2142720794 SOLV 48 0.0000000000
|
|
362 249 TIP3 H1 1.3401773686 13.6924248756 10.3542440019 SOLV 48 0.0000000000
|
|
363 249 TIP3 H2 1.1712603504 14.9612193940 11.1203386040 SOLV 48 0.0000000000
|
|
364 250 TIP3 OH2 18.7616865597 15.3653908394 16.7008550262 SOLV 49 0.0000000000
|
|
365 250 TIP3 H1 18.6825936396 14.4014676502 16.6332751182 SOLV 49 0.0000000000
|
|
366 250 TIP3 H2 17.8386731294 15.6030564518 16.9725535450 SOLV 49 0.0000000000
|
|
367 251 TIP3 OH2 9.6200762131 14.4564686447 15.2933356644 SOLV 50 0.0000000000
|
|
368 251 TIP3 H1 9.5917099630 15.4052003537 15.5372444205 SOLV 50 0.0000000000
|
|
369 251 TIP3 H2 8.7008804615 14.1688595671 15.4988071905 SOLV 50 0.0000000000
|
|
370 252 TIP3 OH2 10.5343170225 18.1101374046 4.9357799471 SOLV 51 0.0000000000
|
|
371 252 TIP3 H1 10.3030021424 18.1994446672 3.9852336356 SOLV 51 0.0000000000
|
|
372 252 TIP3 H2 10.2431783271 18.9767290664 5.3097598688 SOLV 51 0.0000000000
|
|
373 253 TIP3 OH2 3.9955785993 16.8456124321 6.9135585512 SOLV 52 0.0000000000
|
|
374 253 TIP3 H1 4.1981077630 16.4116261460 7.7726390972 SOLV 52 0.0000000000
|
|
375 253 TIP3 H2 3.3406924874 16.2330945510 6.5323573906 SOLV 52 0.0000000000
|
|
376 254 TIP3 OH2 13.1109347868 17.7456009510 2.1728478883 SOLV 53 0.0000000000
|
|
377 254 TIP3 H1 13.6711288643 17.0384716608 1.7776153872 SOLV 53 0.0000000000
|
|
378 254 TIP3 H2 13.2406875580 17.5646326525 3.1328982543 SOLV 53 0.0000000000
|
|
379 255 TIP3 OH2 13.1337546567 17.5216138678 4.8902882077 SOLV 54 0.0000000000
|
|
380 255 TIP3 H1 12.1713612198 17.7171295617 4.9807011814 SOLV 54 0.0000000000
|
|
381 255 TIP3 H2 13.2388641580 16.7625639504 5.4899648950 SOLV 54 0.0000000000
|
|
382 256 TIP3 OH2 15.7151583457 6.3397954294 16.7596863476 SOLV 55 0.0000000000
|
|
383 256 TIP3 H1 15.2490256699 6.7733238762 16.0172516738 SOLV 55 0.0000000000
|
|
384 256 TIP3 H2 15.9500802994 5.4638637017 16.3741872582 SOLV 55 0.0000000000
|
|
385 257 TIP3 OH2 3.3452756602 13.3105260947 15.0775255064 SOLV 56 0.0000000000
|
|
386 257 TIP3 H1 3.6105106584 12.7972447693 15.8637904891 SOLV 56 0.0000000000
|
|
387 257 TIP3 H2 2.5677188344 12.7844965558 14.7747236766 SOLV 56 0.0000000000
|
|
388 258 TIP3 OH2 5.8033128546 0.9561377606 11.5041991843 SOLV 57 0.0000000000
|
|
389 258 TIP3 H1 5.1874945910 0.7293914239 10.7797025321 SOLV 57 0.0000000000
|
|
390 258 TIP3 H2 5.4500355969 1.8171749953 11.8034588704 SOLV 57 0.0000000000
|
|
391 259 TIP3 OH2 10.5363796967 1.7371567023 13.7958435244 SOLV 58 0.0000000000
|
|
392 259 TIP3 H1 10.8646896427 0.8433039460 13.5591231177 SOLV 58 0.0000000000
|
|
393 259 TIP3 H2 9.6313590610 1.4882544754 14.0640240158 SOLV 58 0.0000000000
|
|
394 260 TIP3 OH2 13.5575457304 5.0008442754 15.2391844298 SOLV 59 0.0000000000
|
|
395 260 TIP3 H1 12.9391360702 4.6965261140 15.9563863604 SOLV 59 0.0000000000
|
|
396 260 TIP3 H2 13.4570627012 5.9757131782 15.2648713389 SOLV 59 0.0000000000
|
|
397 261 TIP3 OH2 14.1857325081 9.6776858298 0.7842901143 SOLV 60 0.0000000000
|
|
398 261 TIP3 H1 14.0466615214 9.6313442164 -0.1908802690 SOLV 60 0.0000000000
|
|
399 261 TIP3 H2 15.1231105930 9.9617603287 0.7745131863 SOLV 60 0.0000000000
|
|
400 262 TIP3 OH2 9.8364447671 3.7769623019 1.4051077563 SOLV 61 0.0000000000
|
|
401 262 TIP3 H1 9.5057470315 3.5028456869 2.2897816411 SOLV 61 0.0000000000
|
|
402 262 TIP3 H2 9.3138320307 3.1867563838 0.8441648828 SOLV 61 0.0000000000
|
|
403 263 TIP3 OH2 6.0290201982 6.2904644411 12.2381577604 SOLV 62 0.0000000000
|
|
404 263 TIP3 H1 5.2236321028 6.2644754885 12.8091911275 SOLV 62 0.0000000000
|
|
405 263 TIP3 H2 6.0141503864 7.2355099473 11.9530625888 SOLV 62 0.0000000000
|
|
406 264 TIP3 OH2 6.0567336462 6.6727691910 7.2447442305 SOLV 63 0.0000000000
|
|
407 264 TIP3 H1 5.0721418468 6.6980848024 7.1226077677 SOLV 63 0.0000000000
|
|
408 264 TIP3 H2 6.3261121240 6.3418211932 6.3638920839 SOLV 63 0.0000000000
|
|
409 265 TIP3 OH2 11.7484561017 6.8396886193 5.6958531189 SOLV 64 0.0000000000
|
|
410 265 TIP3 H1 11.3574289293 7.6822071731 5.3569616972 SOLV 64 0.0000000000
|
|
411 265 TIP3 H2 12.1429645546 6.4678817794 4.8874816055 SOLV 64 0.0000000000
|
|
412 266 TIP3 OH2 10.4506071809 7.1607477129 16.9091928760 SOLV 65 0.0000000000
|
|
413 266 TIP3 H1 9.9778115778 6.3678041573 17.2626721692 SOLV 65 0.0000000000
|
|
414 266 TIP3 H2 11.2546577798 7.1564062355 17.4624586910 SOLV 65 0.0000000000
|
|
415 267 TIP3 OH2 12.3027377449 6.0984011787 8.3384725785 SOLV 66 0.0000000000
|
|
416 267 TIP3 H1 11.9587421743 6.6066867149 7.5778633783 SOLV 66 0.0000000000
|
|
417 267 TIP3 H2 12.7580329333 5.3875565374 7.8611828229 SOLV 66 0.0000000000
|
|
418 268 TIP3 OH2 3.7656530250 6.2700962686 13.7331064802 SOLV 67 0.0000000000
|
|
419 268 TIP3 H1 3.6909388587 6.8756394116 14.4848007585 SOLV 67 0.0000000000
|
|
420 268 TIP3 H2 3.2084945249 5.5131999698 14.0141062722 SOLV 67 0.0000000000
|
|
421 269 TIP3 OH2 5.6734698376 3.6786466943 0.3117846736 SOLV 68 0.0000000000
|
|
422 269 TIP3 H1 5.9325491744 3.7289268345 1.2611052641 SOLV 68 0.0000000000
|
|
423 269 TIP3 H2 5.6953204263 4.6355304761 0.1013746117 SOLV 68 0.0000000000
|
|
424 270 TIP3 OH2 0.7151111691 3.9308852496 7.3544576952 SOLV 69 0.0000000000
|
|
425 270 TIP3 H1 0.9546311193 4.1109111455 8.2790262761 SOLV 69 0.0000000000
|
|
426 270 TIP3 H2 0.8730355069 2.9946921192 7.2904021243 SOLV 69 0.0000000000
|
|
427 271 TIP3 OH2 1.8117381212 4.5740424966 3.4219381695 SOLV 70 0.0000000000
|
|
428 271 TIP3 H1 2.1344176766 4.2521525685 2.5659988762 SOLV 70 0.0000000000
|
|
429 271 TIP3 H2 1.9339726775 5.5239484214 3.2774763778 SOLV 70 0.0000000000
|
|
430 272 TIP3 OH2 11.8250889781 7.5856079121 13.0105250038 SOLV 71 0.0000000000
|
|
431 272 TIP3 H1 12.1517932212 6.8905635932 12.3917509831 SOLV 71 0.0000000000
|
|
432 272 TIP3 H2 11.0494243619 7.1428012941 13.3956067733 SOLV 71 0.0000000000
|
|
433 273 TIP3 OH2 9.0483756260 4.3204665118 8.0062920158 SOLV 72 0.0000000000
|
|
434 273 TIP3 H1 8.1822053923 4.0623086939 8.3339677665 SOLV 72 0.0000000000
|
|
435 273 TIP3 H2 9.5979657660 3.7952554467 8.6332927501 SOLV 72 0.0000000000
|
|
436 274 TIP3 OH2 3.5912856374 5.7440577976 6.7962557175 SOLV 73 0.0000000000
|
|
437 274 TIP3 H1 2.8544439924 5.8838235910 6.1640397328 SOLV 73 0.0000000000
|
|
438 274 TIP3 H2 3.9445411735 4.8764702950 6.5056031993 SOLV 73 0.0000000000
|
|
439 275 TIP3 OH2 6.6751519917 5.6013932441 4.8770200853 SOLV 74 0.0000000000
|
|
440 275 TIP3 H1 7.6480502946 5.6538244550 4.8437256123 SOLV 74 0.0000000000
|
|
441 275 TIP3 H2 6.4180963826 6.1299159077 4.0817890169 SOLV 74 0.0000000000
|
|
442 276 TIP3 OH2 12.7827154592 3.2459469778 11.0154187032 SOLV 75 0.0000000000
|
|
443 276 TIP3 H1 12.4418199841 3.4831117113 11.9014389963 SOLV 75 0.0000000000
|
|
444 276 TIP3 H2 11.9333683029 3.0648240044 10.5427189042 SOLV 75 0.0000000000
|
|
445 277 TIP3 OH2 5.8256768543 6.7661651971 2.6709429632 SOLV 76 0.0000000000
|
|
446 277 TIP3 H1 5.0425422806 7.1483930833 2.2765511921 SOLV 76 0.0000000000
|
|
447 277 TIP3 H2 6.5351733952 7.0336751710 2.0457838142 SOLV 76 0.0000000000
|
|
448 278 TIP3 OH2 16.0209171259 18.7252788629 17.8540930324 SOLV 77 0.0000000000
|
|
449 278 TIP3 H1 16.3346187876 18.9625327739 16.9720541202 SOLV 77 0.0000000000
|
|
450 278 TIP3 H2 16.8044470797 19.0188864167 18.3730266766 SOLV 77 0.0000000000
|
|
451 279 TIP3 OH2 4.0401249296 11.3199542891 16.9670280246 SOLV 78 0.0000000000
|
|
452 279 TIP3 H1 4.7912953768 11.2663683194 17.5836418658 SOLV 78 0.0000000000
|
|
453 279 TIP3 H2 3.3342141469 11.5753627208 17.5948772655 SOLV 78 0.0000000000
|
|
454 280 TIP3 OH2 9.7758114372 6.9034895936 9.9524497360 SOLV 79 0.0000000000
|
|
455 280 TIP3 H1 10.2302263517 6.2272402968 9.4279112547 SOLV 79 0.0000000000
|
|
456 280 TIP3 H2 9.3235869143 6.3702968861 10.6494521661 SOLV 79 0.0000000000
|
|
457 281 TIP3 OH2 4.5888715578 2.8366891516 6.4966949591 SOLV 80 0.0000000000
|
|
458 281 TIP3 H1 4.0222794317 2.1214114587 6.8441114262 SOLV 80 0.0000000000
|
|
459 281 TIP3 H2 5.3836085269 2.3348797575 6.2456662181 SOLV 80 0.0000000000
|
|
460 282 TIP3 OH2 8.6453756313 5.6393051051 12.0714328883 SOLV 81 0.0000000000
|
|
461 282 TIP3 H1 7.7397664561 5.9482635384 12.2790718173 SOLV 81 0.0000000000
|
|
462 282 TIP3 H2 9.1493549899 5.9716137582 12.8434488681 SOLV 81 0.0000000000
|
|
463 283 TIP3 OH2 16.1169756672 10.9249501844 12.3729724444 SOLV 82 0.0000000000
|
|
464 283 TIP3 H1 16.7502093739 11.4140586611 11.8020717626 SOLV 82 0.0000000000
|
|
465 283 TIP3 H2 15.3726545010 10.6974563036 11.7739663427 SOLV 82 0.0000000000
|
|
466 284 TIP3 OH2 12.7458290405 4.0605464640 1.3936159069 SOLV 83 0.0000000000
|
|
467 284 TIP3 H1 11.7875477291 3.9900205885 1.5366914997 SOLV 83 0.0000000000
|
|
468 284 TIP3 H2 12.9832800771 4.6800730530 2.1095764503 SOLV 83 0.0000000000
|
|
469 285 TIP3 OH2 10.1387278260 11.6377437555 14.9965289916 SOLV 84 0.0000000000
|
|
470 285 TIP3 H1 10.4685712370 11.3426343778 15.8513697475 SOLV 84 0.0000000000
|
|
471 285 TIP3 H2 10.0051023373 12.5936746004 15.1345761018 SOLV 84 0.0000000000
|
|
472 286 TIP3 OH2 13.3251179726 5.8506577730 3.6177743994 SOLV 85 0.0000000000
|
|
473 286 TIP3 H1 14.0641086116 6.0885047682 4.2035839956 SOLV 85 0.0000000000
|
|
474 286 TIP3 H2 13.2540389216 6.6652790149 3.0689849066 SOLV 85 0.0000000000
|
|
475 287 TIP3 OH2 4.1469943137 11.0838524415 9.7522767598 SOLV 86 0.0000000000
|
|
476 287 TIP3 H1 4.6567719633 10.8239985686 8.9428036916 SOLV 86 0.0000000000
|
|
477 287 TIP3 H2 3.4929736883 10.3608746672 9.7516119251 SOLV 86 0.0000000000
|
|
478 288 TIP3 OH2 11.1640891670 12.7887536417 2.8975173091 SOLV 87 0.0000000000
|
|
479 288 TIP3 H1 10.8177560637 13.6248197906 3.2819041552 SOLV 87 0.0000000000
|
|
480 288 TIP3 H2 10.4216604790 12.1827845887 3.1429638758 SOLV 87 0.0000000000
|
|
481 289 TIP3 OH2 1.3676496618 8.8548848341 14.8887053207 SOLV 88 0.0000000000
|
|
482 289 TIP3 H1 0.9330621193 8.6253980151 15.7221790243 SOLV 88 0.0000000000
|
|
483 289 TIP3 H2 0.6609264632 8.5920054906 14.2572403894 SOLV 88 0.0000000000
|
|
484 290 TIP3 OH2 8.3017971298 8.8546813504 17.0128312378 SOLV 89 0.0000000000
|
|
485 290 TIP3 H1 7.7011430791 8.3737539146 16.4173948345 SOLV 89 0.0000000000
|
|
486 290 TIP3 H2 9.1096342281 8.3155112936 16.8851140082 SOLV 89 0.0000000000
|
|
487 291 TIP3 OH2 12.6847034810 14.3218714935 15.2843872578 SOLV 90 0.0000000000
|
|
488 291 TIP3 H1 11.7502064154 14.2946552297 15.0460838883 SOLV 90 0.0000000000
|
|
489 291 TIP3 H2 12.5879029983 14.6754613796 16.1924050674 SOLV 90 0.0000000000
|
|
490 292 TIP3 OH2 18.2751258415 6.4955363514 3.6652639606 SOLV 91 0.0000000000
|
|
491 292 TIP3 H1 17.6285955556 6.2443857410 2.9566258755 SOLV 91 0.0000000000
|
|
492 292 TIP3 H2 18.4492478919 7.4156364144 3.3417593769 SOLV 91 0.0000000000
|
|
493 293 TIP3 OH2 18.4998476612 12.4629683656 16.4234789443 SOLV 92 0.0000000000
|
|
494 293 TIP3 H1 17.5513367619 12.5417795655 16.1831414521 SOLV 92 0.0000000000
|
|
495 293 TIP3 H2 18.8942949111 12.1256150352 15.5861228786 SOLV 92 0.0000000000
|
|
496 294 TIP3 OH2 16.7528488408 14.9167396334 4.2212511237 SOLV 93 0.0000000000
|
|
497 294 TIP3 H1 16.0846887768 14.2572761516 4.4493867226 SOLV 93 0.0000000000
|
|
498 294 TIP3 H2 16.9182086088 14.8000581205 3.2655470818 SOLV 93 0.0000000000
|
|
499 295 TIP3 OH2 14.0402220834 10.0129236655 10.7318084036 SOLV 94 0.0000000000
|
|
500 295 TIP3 H1 13.0903134435 9.9244043886 10.5532957670 SOLV 94 0.0000000000
|
|
501 295 TIP3 H2 14.3906252391 9.3233825147 10.1433208222 SOLV 94 0.0000000000
|
|
502 296 TIP3 OH2 2.1763768981 8.7127939909 2.1577981086 SOLV 95 0.0000000000
|
|
503 296 TIP3 H1 2.6409584729 9.3676325172 2.7254440841 SOLV 95 0.0000000000
|
|
504 296 TIP3 H2 1.3112532482 9.1430363114 2.0690915215 SOLV 95 0.0000000000
|
|
505 297 TIP3 OH2 8.3850150874 16.0391264187 13.0643147681 SOLV 96 0.0000000000
|
|
506 297 TIP3 H1 8.9813117667 16.7957451592 12.8683763254 SOLV 96 0.0000000000
|
|
507 297 TIP3 H2 9.0102829482 15.4355413779 13.4932706455 SOLV 96 0.0000000000
|
|
508 298 TIP3 OH2 6.3762169521 17.5074387534 5.6873918279 SOLV 97 0.0000000000
|
|
509 298 TIP3 H1 5.6034956172 17.3445298870 6.2606108612 SOLV 97 0.0000000000
|
|
510 298 TIP3 H2 6.8816679896 18.1032672969 6.2625973814 SOLV 97 0.0000000000
|
|
511 299 TIP3 OH2 11.4370380901 12.1232530180 12.6486248724 SOLV 98 0.0000000000
|
|
512 299 TIP3 H1 11.0728984304 11.8119457900 13.5125417915 SOLV 98 0.0000000000
|
|
513 299 TIP3 H2 11.8874186560 11.3163664124 12.3482566011 SOLV 98 0.0000000000
|
|
514 300 TIP3 OH2 13.8370059591 13.1835118749 2.1409652381 SOLV 99 0.0000000000
|
|
515 300 TIP3 H1 14.3595373396 12.6051525206 2.7315205677 SOLV 99 0.0000000000
|
|
516 300 TIP3 H2 12.9482140617 12.9797056119 2.4723852877 SOLV 99 0.0000000000
|
|
517 301 TIP3 OH2 14.5124089456 16.7283899831 15.0219228877 SOLV 100 0.0000000000
|
|
518 301 TIP3 H1 13.7166408551 16.2587614000 14.7053419221 SOLV 100 0.0000000000
|
|
519 301 TIP3 H2 14.6548819131 17.3585629063 14.2822051432 SOLV 100 0.0000000000
|
|
520 302 TIP3 OH2 18.7777924198 17.7240368141 1.7995034547 SOLV 101 0.0000000000
|
|
521 302 TIP3 H1 19.3934494909 18.4590333296 2.0282697679 SOLV 101 0.0000000000
|
|
522 302 TIP3 H2 17.9397830168 18.1587161674 2.0954379765 SOLV 101 0.0000000000
|
|
523 303 TIP3 OH2 2.8507740930 3.8533888003 14.6153159652 SOLV 102 0.0000000000
|
|
524 303 TIP3 H1 2.2667467272 3.2649943722 14.0749534461 SOLV 102 0.0000000000
|
|
525 303 TIP3 H2 2.9475765853 3.3277309200 15.4237293725 SOLV 102 0.0000000000
|
|
526 304 TIP3 OH2 15.1807898623 11.5496422288 3.8133387282 SOLV 103 0.0000000000
|
|
527 304 TIP3 H1 14.9747020179 10.7573734754 4.3439043445 SOLV 103 0.0000000000
|
|
528 304 TIP3 H2 16.1548964048 11.6357173114 3.9667897140 SOLV 103 0.0000000000
|
|
529 305 TIP3 OH2 2.4076523769 15.6581045456 12.7653254246 SOLV 104 0.0000000000
|
|
530 305 TIP3 H1 2.9615065541 14.8947722893 13.0151851643 SOLV 104 0.0000000000
|
|
531 305 TIP3 H2 2.7232054436 16.3395173201 13.3634894286 SOLV 104 0.0000000000
|
|
532 306 TIP3 OH2 8.1971724859 14.4667293106 0.2802936509 SOLV 105 0.0000000000
|
|
533 306 TIP3 H1 8.4021138459 13.5786842793 -0.0480688773 SOLV 105 0.0000000000
|
|
534 306 TIP3 H2 7.5421427997 14.2319676986 0.9848408574 SOLV 105 0.0000000000
|
|
535 307 TIP3 OH2 7.0167486492 13.6409706554 2.4958131008 SOLV 106 0.0000000000
|
|
536 307 TIP3 H1 7.4524210149 12.9791452914 3.0679669981 SOLV 106 0.0000000000
|
|
537 307 TIP3 H2 7.1713982074 14.4805704799 2.9998970826 SOLV 106 0.0000000000
|
|
538 308 TIP3 OH2 3.3170909054 10.8247703124 3.2329274992 SOLV 107 0.0000000000
|
|
539 308 TIP3 H1 2.7348017110 11.3865087639 3.7769633764 SOLV 107 0.0000000000
|
|
540 308 TIP3 H2 3.9411641109 11.4894836612 2.9061399165 SOLV 107 0.0000000000
|
|
541 309 TIP3 OH2 11.7621138670 4.0702616957 13.3596800381 SOLV 108 0.0000000000
|
|
542 309 TIP3 H1 12.4054954656 4.0817627421 14.0867829462 SOLV 108 0.0000000000
|
|
543 309 TIP3 H2 11.2864415833 3.2056120989 13.5297862361 SOLV 108 0.0000000000
|
|
544 310 TIP3 OH2 12.1171066537 3.0766932097 5.0426488153 SOLV 109 0.0000000000
|
|
545 310 TIP3 H1 12.2587399851 3.5071422738 4.1934139706 SOLV 109 0.0000000000
|
|
546 310 TIP3 H2 12.7821245425 3.5331846973 5.6019923432 SOLV 109 0.0000000000
|
|
547 311 TIP3 OH2 9.9197751064 15.1916440682 3.4959505813 SOLV 110 0.0000000000
|
|
548 311 TIP3 H1 9.0444409729 15.5592109819 3.7397182140 SOLV 110 0.0000000000
|
|
549 311 TIP3 H2 10.0108842614 15.5457038540 2.6002399595 SOLV 110 0.0000000000
|
|
550 312 TIP3 OH2 9.2769392221 5.3036023793 5.3646419686 SOLV 111 0.0000000000
|
|
551 312 TIP3 H1 10.0406925741 5.8954171926 5.4934258422 SOLV 111 0.0000000000
|
|
552 312 TIP3 H2 9.0676467882 5.0172394421 6.2843239018 SOLV 111 0.0000000000
|
|
553 313 TIP3 OH2 10.1121857768 6.1277367381 14.4380130450 SOLV 112 0.0000000000
|
|
554 313 TIP3 H1 10.2734749435 6.3896740509 15.3649986161 SOLV 112 0.0000000000
|
|
555 313 TIP3 H2 10.6142659577 5.2944301121 14.3279770555 SOLV 112 0.0000000000
|
|
556 314 TIP3 OH2 9.8637097297 2.1501184137 6.2799173221 SOLV 113 0.0000000000
|
|
557 314 TIP3 H1 9.8615546829 2.9303656991 6.8450781629 SOLV 113 0.0000000000
|
|
558 314 TIP3 H2 10.7554911476 2.2423479018 5.8556171057 SOLV 113 0.0000000000
|
|
559 315 TIP3 OH2 7.4096266427 16.1561651602 3.5516662943 SOLV 114 0.0000000000
|
|
560 315 TIP3 H1 7.4084893015 16.9353024904 2.9536275125 SOLV 114 0.0000000000
|
|
561 315 TIP3 H2 6.9486681391 16.5473081857 4.3325656260 SOLV 114 0.0000000000
|
|
562 316 TIP3 OH2 6.2456768701 3.6106913749 2.9142782733 SOLV 115 0.0000000000
|
|
563 316 TIP3 H1 6.1137409943 4.2362685052 3.6501954401 SOLV 115 0.0000000000
|
|
564 316 TIP3 H2 7.0380188160 3.1398130039 3.2406823926 SOLV 115 0.0000000000
|
|
565 317 TIP3 OH2 16.0377165767 3.9138654494 15.1971285223 SOLV 116 0.0000000000
|
|
566 317 TIP3 H1 15.1154056828 4.2490682956 15.2144801817 SOLV 116 0.0000000000
|
|
567 317 TIP3 H2 16.0201270947 3.3828113164 14.3677555453 SOLV 116 0.0000000000
|
|
568 318 TIP3 OH2 14.6564079179 7.5793418080 9.2024407343 SOLV 117 0.0000000000
|
|
569 318 TIP3 H1 13.7504294528 7.2360650274 9.1663208648 SOLV 117 0.0000000000
|
|
570 318 TIP3 H2 15.0528091832 7.0006826913 9.9038993617 SOLV 117 0.0000000000
|
|
571 319 TIP3 OH2 4.4006278403 13.3041963425 1.9135942011 SOLV 118 0.0000000000
|
|
572 319 TIP3 H1 5.3129569753 13.5237685490 2.2174274381 SOLV 118 0.0000000000
|
|
573 319 TIP3 H2 4.6327907101 12.6641662995 1.2205725258 SOLV 118 0.0000000000
|
|
574 320 TIP3 OH2 2.5213877769 6.1275326134 1.1207224987 SOLV 119 0.0000000000
|
|
575 320 TIP3 H1 2.6346956060 7.0215566633 1.4852598465 SOLV 119 0.0000000000
|
|
576 320 TIP3 H2 1.6966981719 6.2742443111 0.6031695582 SOLV 119 0.0000000000
|
|
577 321 TIP3 OH2 15.8964973266 17.0606511295 11.0103097113 SOLV 120 0.0000000000
|
|
578 321 TIP3 H1 15.8985596761 17.7350318449 10.2998098077 SOLV 120 0.0000000000
|
|
579 321 TIP3 H2 16.8444131875 17.0275658983 11.2554413243 SOLV 120 0.0000000000
|
|
580 322 TIP3 OH2 3.8288277278 1.0676762695 9.4293333238 SOLV 121 0.0000000000
|
|
581 322 TIP3 H1 3.3034723410 1.0155332025 8.6103168286 SOLV 121 0.0000000000
|
|
582 322 TIP3 H2 3.9540219308 0.0905275120 9.5495590896 SOLV 121 0.0000000000
|
|
583 323 TIP3 OH2 1.9592594991 14.9253018184 5.6964076488 SOLV 122 0.0000000000
|
|
584 323 TIP3 H1 1.2091714828 14.9361311128 6.3062962814 SOLV 122 0.0000000000
|
|
585 323 TIP3 H2 1.7541301779 15.6965035353 5.1223930060 SOLV 122 0.0000000000
|
|
586 324 TIP3 OH2 1.8722474455 17.7229430562 17.5975294982 SOLV 123 0.0000000000
|
|
587 324 TIP3 H1 2.4905614387 17.6815144430 18.3573137751 SOLV 123 0.0000000000
|
|
588 324 TIP3 H2 1.9163293868 16.7691276625 17.3492158640 SOLV 123 0.0000000000
|
|
589 325 TIP3 OH2 6.0053201918 16.0666600038 18.7734846104 SOLV 124 0.0000000000
|
|
590 325 TIP3 H1 6.8186599129 15.6014199330 19.0521746740 SOLV 124 0.0000000000
|
|
591 325 TIP3 H2 5.8292085348 15.6843082418 17.8868545090 SOLV 124 0.0000000000
|
|
592 326 TIP3 OH2 10.1733633745 16.2246231050 0.6956984893 SOLV 125 0.0000000000
|
|
593 326 TIP3 H1 9.4747315998 15.5639697872 0.4737336103 SOLV 125 0.0000000000
|
|
594 326 TIP3 H2 10.9607670278 15.8608565485 0.2318045142 SOLV 125 0.0000000000
|
|
595 327 TIP3 OH2 12.3625521152 14.9258295918 17.8904400492 SOLV 126 0.0000000000
|
|
596 327 TIP3 H1 12.1616981326 14.0631416428 18.3220740555 SOLV 126 0.0000000000
|
|
597 327 TIP3 H2 13.2321437342 15.1043523181 18.3110408097 SOLV 126 0.0000000000
|
|
598 328 TIP3 OH2 14.5662235293 15.7615262622 0.9345205952 SOLV 127 0.0000000000
|
|
599 328 TIP3 H1 14.9834061825 14.9185403392 1.1856448135 SOLV 127 0.0000000000
|
|
600 328 TIP3 H2 15.1494662443 16.1191508122 0.2340339277 SOLV 127 0.0000000000
|
|
601 329 TIP3 OH2 1.6715208875 11.8547237731 18.1909065186 SOLV 128 0.0000000000
|
|
602 329 TIP3 H1 1.4474640976 10.8992488838 18.1942119681 SOLV 128 0.0000000000
|
|
603 329 TIP3 H2 0.7987914029 12.1857124182 17.9133429798 SOLV 128 0.0000000000
|
|
604 330 TIP3 OH2 5.7246376760 11.1351209214 0.3188718343 SOLV 129 0.0000000000
|
|
605 330 TIP3 H1 5.9555852435 10.6593267971 1.1519627733 SOLV 129 0.0000000000
|
|
606 330 TIP3 H2 6.5930083614 11.3433257077 -0.0476234153 SOLV 129 0.0000000000
|
|
607 331 TIP3 OH2 8.2122114260 11.5433942160 17.7323491975 SOLV 130 0.0000000000
|
|
608 331 TIP3 H1 8.0429477685 12.0068819165 16.8941777683 SOLV 130 0.0000000000
|
|
609 331 TIP3 H2 8.3180594019 10.6094273046 17.4459951321 SOLV 130 0.0000000000
|
|
610 332 TIP3 OH2 11.3062475148 12.3049084507 0.2610810749 SOLV 131 0.0000000000
|
|
611 332 TIP3 H1 10.9824004594 12.4393913353 1.1851879714 SOLV 131 0.0000000000
|
|
612 332 TIP3 H2 12.0007241501 11.6512232653 0.4425258853 SOLV 131 0.0000000000
|
|
613 333 TIP3 OH2 13.4112004015 11.4961151281 15.2969606133 SOLV 132 0.0000000000
|
|
614 333 TIP3 H1 14.3146251533 11.8653389824 15.2538263361 SOLV 132 0.0000000000
|
|
615 333 TIP3 H2 12.9314037434 12.3424073603 15.2387384182 SOLV 132 0.0000000000
|
|
616 334 TIP3 OH2 1.4733322404 8.8659949039 17.8877816421 SOLV 133 0.0000000000
|
|
617 334 TIP3 H1 2.0138143572 8.2532585261 17.3690638089 SOLV 133 0.0000000000
|
|
618 334 TIP3 H2 1.9752968369 8.8549445128 18.7340148628 SOLV 133 0.0000000000
|
|
619 335 TIP3 OH2 6.3381048104 9.8144771232 2.5453949812 SOLV 134 0.0000000000
|
|
620 335 TIP3 H1 6.9199956628 10.4124697008 3.0774281016 SOLV 134 0.0000000000
|
|
621 335 TIP3 H2 6.9694580491 9.0779128648 2.4063885380 SOLV 134 0.0000000000
|
|
622 336 TIP3 OH2 6.3258643355 7.7158049140 15.3249321623 SOLV 135 0.0000000000
|
|
623 336 TIP3 H1 5.4916621233 8.2503112108 15.3470328989 SOLV 135 0.0000000000
|
|
624 336 TIP3 H2 6.7822606695 8.0604296362 14.5262214700 SOLV 135 0.0000000000
|
|
625 337 TIP3 OH2 8.1439251653 7.8781684975 1.3446323755 SOLV 136 0.0000000000
|
|
626 337 TIP3 H1 7.8658243966 8.2685295603 0.4982023996 SOLV 136 0.0000000000
|
|
627 337 TIP3 H2 9.1226929642 7.8251313638 1.2471119260 SOLV 136 0.0000000000
|
|
628 338 TIP3 OH2 11.4980662216 10.2741410577 18.3595287153 SOLV 137 0.0000000000
|
|
629 338 TIP3 H1 12.0118471038 9.7988979410 17.6994861882 SOLV 137 0.0000000000
|
|
630 338 TIP3 H2 11.0109846756 9.5670661773 18.8372420077 SOLV 137 0.0000000000
|
|
631 339 TIP3 OH2 16.9823186446 10.1158294616 50.3393363599 SOLV 138 0.0000000000
|
|
632 339 TIP3 H1 17.2819871345 9.6740013905 49.5311514227 SOLV 138 0.0000000000
|
|
633 339 TIP3 H2 17.4630987937 10.9561007401 50.2655055129 SOLV 138 0.0000000000
|
|
634 340 TIP3 OH2 6.6528641726 5.1481275842 16.0286412907 SOLV 139 0.0000000000
|
|
635 340 TIP3 H1 6.8703314043 4.6980301992 15.1757365209 SOLV 139 0.0000000000
|
|
636 340 TIP3 H2 6.4440001838 6.0574279729 15.7047491592 SOLV 139 0.0000000000
|
|
637 341 TIP3 OH2 7.2256423476 3.8053177487 13.7125303800 SOLV 140 0.0000000000
|
|
638 341 TIP3 H1 7.8063850352 4.1558531086 13.0193765040 SOLV 140 0.0000000000
|
|
639 341 TIP3 H2 6.3586338162 3.7630890086 13.2487867900 SOLV 140 0.0000000000
|
|
640 342 TIP3 OH2 8.1644863163 8.8536335006 13.7327757444 SOLV 141 0.0000000000
|
|
641 342 TIP3 H1 9.1063792784 9.0578517516 13.7970396396 SOLV 141 0.0000000000
|
|
642 342 TIP3 H2 7.7957494480 9.6866185086 13.3633357507 SOLV 141 0.0000000000
|
|
643 343 TIP3 OH2 12.6667702791 6.5966774386 18.6916663688 SOLV 142 0.0000000000
|
|
644 343 TIP3 H1 12.6953425567 5.6268771377 18.6733959507 SOLV 142 0.0000000000
|
|
645 343 TIP3 H2 13.4973377206 6.8234096495 18.2479865646 SOLV 142 0.0000000000
|
|
646 344 TIP3 OH2 14.3026112609 9.5290614250 17.0712746524 SOLV 143 0.0000000000
|
|
647 344 TIP3 H1 14.0606685257 10.2435376289 16.4474469937 SOLV 143 0.0000000000
|
|
648 344 TIP3 H2 15.2704072392 9.4810906430 16.9530726116 SOLV 143 0.0000000000
|
|
649 345 TIP3 OH2 5.1907944844 5.7048938340 18.3318084574 SOLV 144 0.0000000000
|
|
650 345 TIP3 H1 4.3265990123 5.2617096699 18.1662385715 SOLV 144 0.0000000000
|
|
651 345 TIP3 H2 5.4903211185 5.8861414244 17.4227299536 SOLV 144 0.0000000000
|
|
652 346 TIP3 OH2 7.7742183950 1.1365430793 14.1726621601 SOLV 145 0.0000000000
|
|
653 346 TIP3 H1 7.5283157009 2.0914443487 14.2033677111 SOLV 145 0.0000000000
|
|
654 346 TIP3 H2 7.1667768914 0.8212456219 13.4833548960 SOLV 145 0.0000000000
|
|
655 347 TIP3 OH2 8.9444709817 5.0412629440 17.8053463117 SOLV 146 0.0000000000
|
|
656 347 TIP3 H1 8.4269687927 4.6389310395 18.5299546875 SOLV 146 0.0000000000
|
|
657 347 TIP3 H2 8.3210839488 4.9940722551 17.0573341230 SOLV 146 0.0000000000
|
|
658 348 TIP3 OH2 11.7323530764 4.3072718057 17.0402851790 SOLV 147 0.0000000000
|
|
659 348 TIP3 H1 10.7728824899 4.2582435705 17.2160892419 SOLV 147 0.0000000000
|
|
660 348 TIP3 H2 12.0917621864 3.7280733484 17.7338513228 SOLV 147 0.0000000000
|
|
661 349 TIP3 OH2 13.3686937062 2.9950370649 18.9400112399 SOLV 148 0.0000000000
|
|
662 349 TIP3 H1 13.3741253687 2.0056642611 18.9263309689 SOLV 148 0.0000000000
|
|
663 349 TIP3 H2 13.0703695661 3.1719560125 19.8646683340 SOLV 148 0.0000000000
|
|
664 350 TIP3 OH2 3.0370955369 4.0667182761 18.1820914995 SOLV 149 0.0000000000
|
|
665 350 TIP3 H1 2.8271629376 3.2678438393 17.6535986859 SOLV 149 0.0000000000
|
|
666 350 TIP3 H2 3.0353225981 3.6990174001 19.0889807047 SOLV 149 0.0000000000
|
|
667 351 TIP3 OH2 8.7056155102 0.6556850839 16.6923009918 SOLV 150 0.0000000000
|
|
668 351 TIP3 H1 8.1997743270 -0.1746744875 16.8376758531 SOLV 150 0.0000000000
|
|
669 351 TIP3 H2 8.4080109747 0.8718364491 15.7862709684 SOLV 150 0.0000000000
|
|
670 352 TIP3 OH2 8.6686522914 1.8016089153 19.1857808281 SOLV 151 0.0000000000
|
|
671 352 TIP3 H1 8.7352332766 1.2690557188 18.3627844325 SOLV 151 0.0000000000
|
|
672 352 TIP3 H2 7.9257602148 2.3877979219 18.9425575410 SOLV 151 0.0000000000
|
|
673 353 TIP3 OH2 7.7349127139 18.4559623592 1.9509513241 SOLV 152 0.0000000000
|
|
674 353 TIP3 H1 8.6745656297 18.6639349347 2.0863885290 SOLV 152 0.0000000000
|
|
675 353 TIP3 H2 7.5478100459 18.8348763556 1.0846013365 SOLV 152 0.0000000000
|
|
676 354 TIP3 OH2 1.7462320519 13.4810197158 1.3519477217 SOLV 153 0.0000000000
|
|
677 354 TIP3 H1 2.6840809742 13.5944935785 1.6079823131 SOLV 153 0.0000000000
|
|
678 354 TIP3 H2 1.8560917262 13.0087497065 0.5206010525 SOLV 153 0.0000000000
|
|
679 355 TIP3 OH2 0.5779285784 18.9163381095 6.5271283452 SOLV 154 0.0000000000
|
|
680 355 TIP3 H1 -0.2607309285 18.7288382458 6.0671903247 SOLV 154 0.0000000000
|
|
681 355 TIP3 H2 0.6418129296 18.1216736759 7.0826051418 SOLV 154 0.0000000000
|
|
682 356 TIP3 OH2 1.1537497023 16.7064286257 8.5069715034 SOLV 155 0.0000000000
|
|
683 356 TIP3 H1 1.0992288272 15.7847401556 8.8525309391 SOLV 155 0.0000000000
|
|
684 356 TIP3 H2 1.8220995957 17.1091498985 9.0937795376 SOLV 155 0.0000000000
|
|
685 357 TIP3 OH2 18.6177842307 16.8469304517 11.6328383555 SOLV 156 0.0000000000
|
|
686 357 TIP3 H1 18.7698274866 16.8974995004 12.6074002712 SOLV 156 0.0000000000
|
|
687 357 TIP3 H2 19.2313461246 17.5232193977 11.3227300468 SOLV 156 0.0000000000
|
|
688 358 TIP3 OH2 17.9755628084 17.0061330167 14.4028590485 SOLV 157 0.0000000000
|
|
689 358 TIP3 H1 17.4565939760 16.2650350145 14.0126375432 SOLV 157 0.0000000000
|
|
690 358 TIP3 H2 18.4026126502 16.5174158068 15.1313303700 SOLV 157 0.0000000000
|
|
691 359 TIP3 OH2 16.6000999501 12.6010810959 19.3069242117 SOLV 158 0.0000000000
|
|
692 359 TIP3 H1 15.7645931396 12.7204419826 19.7990803365 SOLV 158 0.0000000000
|
|
693 359 TIP3 H2 17.0581005847 13.4335295863 19.5328189744 SOLV 158 0.0000000000
|
|
694 360 TIP3 OH2 17.9261911715 11.2529677528 4.3883569864 SOLV 159 0.0000000000
|
|
695 360 TIP3 H1 18.7396408934 11.7525237457 4.5808900620 SOLV 159 0.0000000000
|
|
696 360 TIP3 H2 17.9044844422 10.6087831161 5.1280850578 SOLV 159 0.0000000000
|
|
697 361 TIP3 OH2 18.3586537090 9.2599163312 6.3704835564 SOLV 160 0.0000000000
|
|
698 361 TIP3 H1 17.5706250930 8.6873361409 6.5150696930 SOLV 160 0.0000000000
|
|
699 361 TIP3 H2 18.8216476045 9.2018890382 7.2255645606 SOLV 160 0.0000000000
|
|
700 362 TIP3 OH2 18.3796054008 12.1547262272 11.6317547618 SOLV 161 0.0000000000
|
|
701 362 TIP3 H1 18.9095679394 11.4509377344 11.2086372645 SOLV 161 0.0000000000
|
|
702 362 TIP3 H2 18.7329916437 12.9655425705 11.1981343782 SOLV 161 0.0000000000
|
|
703 363 TIP3 OH2 16.5116989154 14.8245593244 13.5537177762 SOLV 162 0.0000000000
|
|
704 363 TIP3 H1 15.6873768479 15.0864178108 14.0117703323 SOLV 162 0.0000000000
|
|
705 363 TIP3 H2 16.1515035813 14.5908549420 12.6649309732 SOLV 162 0.0000000000
|
|
706 364 TIP3 OH2 18.4232317712 9.1333111817 2.6388746409 SOLV 163 0.0000000000
|
|
707 364 TIP3 H1 17.7779260580 9.2486391881 1.9119681947 SOLV 163 0.0000000000
|
|
708 364 TIP3 H2 18.2639369532 9.9545615250 3.1511143916 SOLV 163 0.0000000000
|
|
709 365 TIP3 OH2 16.9520049284 6.3959111590 1.2811304980 SOLV 164 0.0000000000
|
|
710 365 TIP3 H1 16.2427373510 6.9441586745 0.9259809871 SOLV 164 0.0000000000
|
|
711 365 TIP3 H2 16.7781527034 5.5263682020 0.8866117367 SOLV 164 0.0000000000
|
|
712 366 TIP3 OH2 16.0877711624 8.0519519278 6.9862682615 SOLV 165 0.0000000000
|
|
713 366 TIP3 H1 15.6941316189 7.2960894841 6.5182206371 SOLV 165 0.0000000000
|
|
714 366 TIP3 H2 15.7274679033 7.8959033773 7.8813452157 SOLV 165 0.0000000000
|
|
715 367 TIP3 OH2 0.6975794715 9.5763477809 11.2104175255 SOLV 166 0.0000000000
|
|
716 367 TIP3 H1 1.0767595272 9.8058287643 10.3387681012 SOLV 166 0.0000000000
|
|
717 367 TIP3 H2 1.5548334840 9.3813292239 11.6588965113 SOLV 166 0.0000000000
|
|
718 368 TIP3 OH2 17.0889565431 9.5917912833 16.7707326880 SOLV 167 0.0000000000
|
|
719 368 TIP3 H1 17.5329782960 8.7807694537 16.4865172890 SOLV 167 0.0000000000
|
|
720 368 TIP3 H2 17.6218641961 10.2955434492 16.3437409073 SOLV 167 0.0000000000
|
|
721 369 TIP3 OH2 18.2579730485 7.1969728136 16.3929961936 SOLV 168 0.0000000000
|
|
722 369 TIP3 H1 17.4034563088 6.9714860790 16.8130907308 SOLV 168 0.0000000000
|
|
723 369 TIP3 H2 18.8339258782 6.4533125425 16.7018543053 SOLV 168 0.0000000000
|
|
724 370 TIP3 OH2 15.8091143663 4.0279672957 0.3449570411 SOLV 169 0.0000000000
|
|
725 370 TIP3 H1 16.2602674026 3.3009367752 0.8360951414 SOLV 169 0.0000000000
|
|
726 370 TIP3 H2 14.8948559115 3.9659377476 0.6355660339 SOLV 169 0.0000000000
|
|
727 371 TIP3 OH2 15.7663353503 5.7341942680 5.3630435149 SOLV 170 0.0000000000
|
|
728 371 TIP3 H1 16.0659700611 4.7956938255 5.4040174968 SOLV 170 0.0000000000
|
|
729 371 TIP3 H2 16.5419531719 6.1208258933 4.9245115670 SOLV 170 0.0000000000
|
|
730 372 TIP3 OH2 16.0971333466 5.8247087644 10.7290140152 SOLV 171 0.0000000000
|
|
731 372 TIP3 H1 17.0343612789 5.8437707180 10.4499423303 SOLV 171 0.0000000000
|
|
732 372 TIP3 H2 16.2032450810 6.0858917543 11.6686103388 SOLV 171 0.0000000000
|
|
733 373 TIP3 OH2 16.3970546711 6.7325010555 13.2193484879 SOLV 172 0.0000000000
|
|
734 373 TIP3 H1 15.5626937347 7.1003729381 13.5750483105 SOLV 172 0.0000000000
|
|
735 373 TIP3 H2 16.9688414736 7.5305847838 13.1340480651 SOLV 172 0.0000000000
|
|
736 374 TIP3 OH2 1.0677960301 5.9054232648 17.5942727991 SOLV 173 0.0000000000
|
|
737 374 TIP3 H1 1.8595063225 5.3434781023 17.7252169614 SOLV 173 0.0000000000
|
|
738 374 TIP3 H2 0.4068359908 5.2236790485 17.3818363567 SOLV 173 0.0000000000
|
|
739 375 TIP3 OH2 18.9816877461 1.1196596276 18.9336582896 SOLV 174 0.0000000000
|
|
740 375 TIP3 H1 19.5891299869 0.3849486114 18.7187502449 SOLV 174 0.0000000000
|
|
741 375 TIP3 H2 18.8961290832 1.5818323865 18.0673446034 SOLV 174 0.0000000000
|
|
742 376 TIP3 OH2 16.5995548347 3.1126738485 5.4063590075 SOLV 175 0.0000000000
|
|
743 376 TIP3 H1 16.7780975249 2.4654181031 6.1346144961 SOLV 175 0.0000000000
|
|
744 376 TIP3 H2 15.9595987252 2.5893604386 4.8821743510 SOLV 175 0.0000000000
|
|
745 377 TIP3 OH2 1.9702196963 3.1140166970 9.9255710929 SOLV 176 0.0000000000
|
|
746 377 TIP3 H1 2.6056885223 2.3737823711 9.9646643423 SOLV 176 0.0000000000
|
|
747 377 TIP3 H2 2.5282959364 3.8495353607 10.2228711983 SOLV 176 0.0000000000
|
|
748 378 TIP3 OH2 0.2156142504 6.9291057499 11.0363335749 SOLV 177 0.0000000000
|
|
749 378 TIP3 H1 0.7854531355 6.5840555653 10.3195438188 SOLV 177 0.0000000000
|
|
750 378 TIP3 H2 0.5168058972 7.8603652035 11.0759004349 SOLV 177 0.0000000000
|
|
751 379 TIP3 OH2 18.4358160926 2.4429295050 16.6307029728 SOLV 178 0.0000000000
|
|
752 379 TIP3 H1 17.5464607133 2.7834830714 16.8014375415 SOLV 178 0.0000000000
|
|
753 379 TIP3 H2 18.3691580581 2.2793701172 15.6739124924 SOLV 178 0.0000000000
|
|
754 380 TIP3 OH2 18.1926673555 2.8765611552 1.7007280288 SOLV 179 0.0000000000
|
|
755 380 TIP3 H1 18.4549899176 2.9036822753 0.7464118199 SOLV 179 0.0000000000
|
|
756 380 TIP3 H2 18.8583671941 3.4588054708 2.1109318685 SOLV 179 0.0000000000
|
|
757 381 TIP3 OH2 1.4858701407 1.9038370180 5.0440098721 SOLV 180 0.0000000000
|
|
758 381 TIP3 H1 0.5856299466 2.2855450875 4.9295180326 SOLV 180 0.0000000000
|
|
759 381 TIP3 H2 2.0279581029 2.6961055206 4.8453326543 SOLV 180 0.0000000000
|
|
760 382 TIP3 OH2 15.6157862663 17.4368277507 7.1000849226 SOLV 181 0.0000000000
|
|
761 382 TIP3 H1 16.2746871507 17.5657778008 6.3716602441 SOLV 181 0.0000000000
|
|
762 382 TIP3 H2 15.7109053892 18.2138226609 7.6575414107 SOLV 181 0.0000000000
|
|
763 383 TIP3 OH2 1.2329885724 2.3395821760 13.1038831809 SOLV 182 0.0000000000
|
|
764 383 TIP3 H1 0.7335892906 1.7460540434 13.6939885526 SOLV 182 0.0000000000
|
|
765 383 TIP3 H2 0.9164527196 2.0741400644 12.2321593389 SOLV 182 0.0000000000
|
|
766 384 TIP3 OH2 2.3764782930 15.0466664497 17.2348632366 SOLV 183 0.0000000000
|
|
767 384 TIP3 H1 2.2020942778 14.2206525624 16.7374566165 SOLV 183 0.0000000000
|
|
768 384 TIP3 H2 2.2878713068 14.7743824403 18.1718269939 SOLV 183 0.0000000000
|
|
769 385 TIP3 OH2 5.7539262134 15.9933186415 13.8697150177 SOLV 184 0.0000000000
|
|
770 385 TIP3 H1 5.6405433849 16.9333477070 13.5785670282 SOLV 184 0.0000000000
|
|
771 385 TIP3 H2 6.6944654715 15.8831590292 13.6194914890 SOLV 184 0.0000000000
|
|
772 386 TIP3 OH2 9.7024082341 17.0123535888 16.4460455840 SOLV 185 0.0000000000
|
|
773 386 TIP3 H1 9.6897612345 16.6343817837 17.3526858855 SOLV 185 0.0000000000
|
|
774 386 TIP3 H2 10.6062312384 17.4092207461 16.4198622433 SOLV 185 0.0000000000
|
|
775 387 TIP3 OH2 11.9637410933 18.5291647022 16.2460424500 SOLV 186 0.0000000000
|
|
776 387 TIP3 H1 12.7099454688 18.1110983181 15.7863259869 SOLV 186 0.0000000000
|
|
777 387 TIP3 H2 12.3776339342 18.9107834619 17.0434176869 SOLV 186 0.0000000000
|
|
778 388 TIP3 OH2 16.3594231479 0.5112375228 14.4715417073 SOLV 187 0.0000000000
|
|
779 388 TIP3 H1 15.8993343322 1.1815283074 13.9411573745 SOLV 187 0.0000000000
|
|
780 388 TIP3 H2 16.2243553498 -0.2997827664 13.9373267506 SOLV 187 0.0000000000
|
|
781 389 TIP3 OH2 2.9566774286 18.5185780362 14.0186032661 SOLV 188 0.0000000000
|
|
782 389 TIP3 H1 2.2758538609 19.1265848837 13.6548786381 SOLV 188 0.0000000000
|
|
783 389 TIP3 H2 3.2694060561 19.0454200608 14.7741703968 SOLV 188 0.0000000000
|
|
784 390 TIP3 OH2 5.4612217530 18.4466634406 12.9108896190 SOLV 189 0.0000000000
|
|
785 390 TIP3 H1 4.5016593570 18.4403611129 13.1454250436 SOLV 189 0.0000000000
|
|
786 390 TIP3 H2 5.4481534413 18.7511884854 11.9950484417 SOLV 189 0.0000000000
|
|
787 391 TIP3 OH2 10.0422126142 17.9995850710 11.9999185435 SOLV 190 0.0000000000
|
|
788 391 TIP3 H1 9.4174797401 18.4542784137 11.4025415547 SOLV 190 0.0000000000
|
|
789 391 TIP3 H2 10.2232021878 18.7027775830 12.6668747488 SOLV 190 0.0000000000
|
|
790 392 TIP3 OH2 12.1898599308 16.8886098989 13.3668237116 SOLV 191 0.0000000000
|
|
791 392 TIP3 H1 11.5019533944 17.1932138825 12.7387295997 SOLV 191 0.0000000000
|
|
792 392 TIP3 H2 12.8921823094 17.5168796809 13.1146579411 SOLV 191 0.0000000000
|
|
793 393 TIP3 OH2 14.6814391550 18.3936125032 12.9402361849 SOLV 192 0.0000000000
|
|
794 393 TIP3 H1 14.9701526697 19.3188254974 12.7714165227 SOLV 192 0.0000000000
|
|
795 393 TIP3 H2 15.0809749605 17.9324244157 12.1803546305 SOLV 192 0.0000000000
|
|
796 394 TIP3 OH2 2.7871421829 17.5086748534 10.5086850557 SOLV 193 0.0000000000
|
|
797 394 TIP3 H1 2.3864643760 16.9603282833 11.2104031227 SOLV 193 0.0000000000
|
|
798 394 TIP3 H2 3.5825120486 16.9690828625 10.2536675179 SOLV 193 0.0000000000
|
|
799 395 TIP3 OH2 4.7742474661 16.0721722394 9.4706219496 SOLV 194 0.0000000000
|
|
800 395 TIP3 H1 4.7013980948 15.1549750810 9.8317297286 SOLV 194 0.0000000000
|
|
801 395 TIP3 H2 5.6642094449 16.2950015992 9.8112687418 SOLV 194 0.0000000000
|
|
802 396 TIP3 OH2 7.2299203107 16.2335149443 10.4919858780 SOLV 195 0.0000000000
|
|
803 396 TIP3 H1 7.4060463182 15.2827431713 10.2827924758 SOLV 195 0.0000000000
|
|
804 396 TIP3 H2 7.4598321224 16.2242800101 11.4430184415 SOLV 195 0.0000000000
|
|
805 397 TIP3 OH2 10.5333147612 2.6842856166 9.6004528454 SOLV 196 0.0000000000
|
|
806 397 TIP3 H1 9.7752350085 2.0894407327 9.7790825846 SOLV 196 0.0000000000
|
|
807 397 TIP3 H2 11.1123372951 2.0601653989 9.0933026077 SOLV 196 0.0000000000
|
|
808 398 TIP3 OH2 16.0394490487 1.1412148128 9.5785099269 SOLV 197 0.0000000000
|
|
809 398 TIP3 H1 16.6549624740 1.2169799701 8.8111424656 SOLV 197 0.0000000000
|
|
810 398 TIP3 H2 15.7335961053 2.0700906508 9.6613180434 SOLV 197 0.0000000000
|
|
811 399 TIP3 OH2 17.6167731610 1.3739565997 7.2672818368 SOLV 198 0.0000000000
|
|
812 399 TIP3 H1 18.4020576847 0.8485361814 7.0998919063 SOLV 198 0.0000000000
|
|
813 399 TIP3 H2 18.0430117468 2.2683717292 7.4060060940 SOLV 198 0.0000000000
|
|
814 400 TIP3 OH2 2.9100898253 0.6003699347 6.8919746703 SOLV 199 0.0000000000
|
|
815 400 TIP3 H1 2.2837252761 0.9640458701 6.2250295250 SOLV 199 0.0000000000
|
|
816 400 TIP3 H2 3.3086407559 -0.1246272860 6.4095360930 SOLV 199 0.0000000000
|
|
817 401 TIP3 OH2 1.9386784504 0.3414535355 2.7067934874 SOLV 200 0.0000000000
|
|
818 401 TIP3 H1 2.5964046510 0.8995506246 2.2356612184 SOLV 200 0.0000000000
|
|
819 401 TIP3 H2 1.5579607312 0.9567408619 3.3589703585 SOLV 200 0.0000000000
|
|
820 402 TIP3 OH2 7.2291574536 1.5272981413 6.8346082990 SOLV 201 0.0000000000
|
|
821 402 TIP3 H1 8.1539900904 1.5968194518 6.5117410630 SOLV 201 0.0000000000
|
|
822 402 TIP3 H2 7.3805457178 1.5101090333 7.7892146212 SOLV 201 0.0000000000
|
|
823 403 TIP3 OH2 12.4142744705 1.0563866806 8.2133292682 SOLV 202 0.0000000000
|
|
824 403 TIP3 H1 12.4980167137 1.1424307257 7.2585761883 SOLV 202 0.0000000000
|
|
825 403 TIP3 H2 13.0829797192 0.3672385633 8.4272873378 SOLV 202 0.0000000000
|
|
826 404 TIP3 OH2 14.6667144716 1.5631612276 3.9902910166 SOLV 203 0.0000000000
|
|
827 404 TIP3 H1 13.7151555692 1.7514475640 4.0489179829 SOLV 203 0.0000000000
|
|
828 404 TIP3 H2 14.6442129483 0.5813514550 4.0780601805 SOLV 203 0.0000000000
|
|
829 405 TIP3 OH2 1.4368459799 16.6895433240 3.6653074934 SOLV 204 0.0000000000
|
|
830 405 TIP3 H1 1.4030258070 16.2173992547 2.8260382826 SOLV 204 0.0000000000
|
|
831 405 TIP3 H2 1.7067856162 17.5801485502 3.3799978745 SOLV 204 0.0000000000
|
|
832 406 TIP3 OH2 4.0512779574 2.0581684126 1.8271328789 SOLV 205 0.0000000000
|
|
833 406 TIP3 H1 4.3468241359 2.5011592680 1.0095527530 SOLV 205 0.0000000000
|
|
834 406 TIP3 H2 4.6524198432 2.4599912793 2.4727511462 SOLV 205 0.0000000000
|
|
835 407 TIP3 OH2 8.8344323797 2.9948203092 3.8502234022 SOLV 206 0.0000000000
|
|
836 407 TIP3 H1 9.0699200843 2.3535297720 4.5427553113 SOLV 206 0.0000000000
|
|
837 407 TIP3 H2 9.0353812079 3.8195333355 4.3440825913 SOLV 206 0.0000000000
|
|
838 408 TIP3 OH2 10.5842270673 18.4611059405 2.1626313635 SOLV 207 0.0000000000
|
|
839 408 TIP3 H1 11.5602579105 18.3003657202 2.1203414127 SOLV 207 0.0000000000
|
|
840 408 TIP3 H2 10.3082389115 17.6481605343 1.6763912434 SOLV 207 0.0000000000
|
|
841 409 TIP3 OH2 17.3539218402 17.3858974178 5.0205482827 SOLV 208 0.0000000000
|
|
842 409 TIP3 H1 17.1189429975 16.5101871686 4.6301675002 SOLV 208 0.0000000000
|
|
843 409 TIP3 H2 17.1563561104 17.9979902062 4.2764313296 SOLV 208 0.0000000000
|
|
844 410 TIP3 OH2 2.8429742103 1.8099453890 16.6581899841 SOLV 209 0.0000000000
|
|
845 410 TIP3 H1 2.5695129218 1.1115832626 16.0531298845 SOLV 209 0.0000000000
|
|
846 410 TIP3 H2 3.6816950554 1.4496405914 17.0064123261 SOLV 209 0.0000000000
|
|
847 411 TIP3 OH2 5.0548326144 1.2351940271 18.2618023620 SOLV 210 0.0000000000
|
|
848 411 TIP3 H1 5.7398908741 1.9344592741 18.3231118437 SOLV 210 0.0000000000
|
|
849 411 TIP3 H2 5.4423270889 0.5666006720 18.8650208468 SOLV 210 0.0000000000
|
|
850 412 TIP3 OH2 3.0185651261 17.4038439979 0.7430955911 SOLV 211 0.0000000000
|
|
851 412 TIP3 H1 2.6643497031 18.1313399723 1.2927039076 SOLV 211 0.0000000000
|
|
852 412 TIP3 H2 3.7364516172 17.1042904829 1.3161352367 SOLV 211 0.0000000000
|
|
853 413 TIP3 OH2 13.3712491148 50.1562377862 18.8202701524 SOLV 212 0.0000000000
|
|
854 413 TIP3 H1 13.6579259222 49.5255323039 19.5000838758 SOLV 212 0.0000000000
|
|
855 413 TIP3 H2 13.8169649179 49.8430241771 18.0311440082 SOLV 212 0.0000000000
|
|
856 414 TIP3 OH2 16.2071371633 16.0475529322 17.0658143992 SOLV 213 0.0000000000
|
|
857 414 TIP3 H1 15.5377042362 16.1001274200 16.3517793318 SOLV 213 0.0000000000
|
|
858 414 TIP3 H2 16.0971200915 16.9267657899 17.4751277345 SOLV 213 0.0000000000
|
|
859 415 TIP3 OH2 31.2420895271 10.1196196586 6.6595362855 SOLV 214 0.0000000000
|
|
860 415 TIP3 H1 30.9894830071 11.0660944470 6.5931855590 SOLV 214 0.0000000000
|
|
861 415 TIP3 H2 30.5070098690 9.6962050677 6.1797426297 SOLV 214 0.0000000000
|
|
862 416 TIP3 OH2 29.8058863951 9.3237182167 10.7937653619 SOLV 215 0.0000000000
|
|
863 416 TIP3 H1 30.1376529992 8.8038196933 11.5571162369 SOLV 215 0.0000000000
|
|
864 416 TIP3 H2 29.2465382297 8.6429138195 10.3619049436 SOLV 215 0.0000000000
|
|
865 417 TIP3 OH2 21.8571844754 8.5161806308 12.0519904706 SOLV 216 0.0000000000
|
|
866 417 TIP3 H1 22.0446337164 7.8724534515 12.7564842703 SOLV 216 0.0000000000
|
|
867 417 TIP3 H2 22.7283199446 8.9206965444 11.9384831187 SOLV 216 0.0000000000
|
|
868 418 TIP3 OH2 33.5375223872 12.3334054614 9.0267083677 SOLV 217 0.0000000000
|
|
869 418 TIP3 H1 33.2873873342 11.6748399174 9.6809207739 SOLV 217 0.0000000000
|
|
870 418 TIP3 H2 33.7546768726 13.0867299723 9.6077690416 SOLV 217 0.0000000000
|
|
871 419 TIP3 OH2 23.5004066321 13.5673636672 10.4955665180 SOLV 218 0.0000000000
|
|
872 419 TIP3 H1 23.0871114314 12.7402911817 10.1789255967 SOLV 218 0.0000000000
|
|
873 419 TIP3 H2 24.4462168654 13.3850815761 10.2748359698 SOLV 218 0.0000000000
|
|
874 420 TIP3 OH2 19.7126843807 6.7604030696 6.0378054514 SOLV 219 0.0000000000
|
|
875 420 TIP3 H1 19.5514063113 7.7171225386 6.0908564521 SOLV 219 0.0000000000
|
|
876 420 TIP3 H2 19.2836802889 6.5469328067 5.1869622939 SOLV 219 0.0000000000
|
|
877 421 TIP3 OH2 20.2073994031 9.0499625099 8.5907198458 SOLV 220 0.0000000000
|
|
878 421 TIP3 H1 20.7005637701 8.2052111961 8.6505778550 SOLV 220 0.0000000000
|
|
879 421 TIP3 H2 20.9041824577 9.6845365159 8.3250059384 SOLV 220 0.0000000000
|
|
880 422 TIP3 OH2 30.8411859631 17.3762106023 9.2109594218 SOLV 221 0.0000000000
|
|
881 422 TIP3 H1 31.3190095861 16.8417740497 8.5431579447 SOLV 221 0.0000000000
|
|
882 422 TIP3 H2 30.4466800586 16.6850249441 9.7531746080 SOLV 221 0.0000000000
|
|
883 423 TIP3 OH2 28.0994537156 12.1659726497 10.9607997196 SOLV 222 0.0000000000
|
|
884 423 TIP3 H1 28.3658694724 11.4021132915 10.4297301057 SOLV 222 0.0000000000
|
|
885 423 TIP3 H2 28.9342040635 12.3340421952 11.4491754824 SOLV 222 0.0000000000
|
|
886 424 TIP3 OH2 37.1369133734 3.4552357586 11.7592215355 SOLV 223 0.0000000000
|
|
887 424 TIP3 H1 37.3302612010 4.0459746287 12.5267497915 SOLV 223 0.0000000000
|
|
888 424 TIP3 H2 37.7326721702 3.8371804682 11.1020445424 SOLV 223 0.0000000000
|
|
889 425 TIP3 OH2 31.5979227507 6.0779007328 11.0817489002 SOLV 224 0.0000000000
|
|
890 425 TIP3 H1 31.7631857129 5.1312565962 11.1369359212 SOLV 224 0.0000000000
|
|
891 425 TIP3 H2 31.2523683341 6.1439588506 10.1661673430 SOLV 224 0.0000000000
|
|
892 426 TIP3 OH2 24.7997744411 4.2618017700 8.4378553871 SOLV 225 0.0000000000
|
|
893 426 TIP3 H1 24.9192291706 5.0614954003 7.8923251713 SOLV 225 0.0000000000
|
|
894 426 TIP3 H2 24.3470038559 3.6610286563 7.7909543656 SOLV 225 0.0000000000
|
|
895 427 TIP3 OH2 32.8081259292 4.3281739973 6.7483854582 SOLV 226 0.0000000000
|
|
896 427 TIP3 H1 33.2122768272 3.9651881477 7.5628806533 SOLV 226 0.0000000000
|
|
897 427 TIP3 H2 33.5388419463 4.8620715487 6.3831328847 SOLV 226 0.0000000000
|
|
898 428 TIP3 OH2 21.1724051052 6.6415331442 9.1619097818 SOLV 227 0.0000000000
|
|
899 428 TIP3 H1 21.7718212168 6.2854483968 9.8422781891 SOLV 227 0.0000000000
|
|
900 428 TIP3 H2 21.4769320030 6.1885700582 8.3454066922 SOLV 227 0.0000000000
|
|
901 429 TIP3 OH2 26.0048492686 8.2449545516 8.9260984077 SOLV 228 0.0000000000
|
|
902 429 TIP3 H1 26.8291595066 7.7651737182 9.1248527047 SOLV 228 0.0000000000
|
|
903 429 TIP3 H2 25.5605749638 7.5914563196 8.3448195626 SOLV 228 0.0000000000
|
|
904 430 TIP3 OH2 37.4191644575 5.0895212977 13.8309125434 SOLV 229 0.0000000000
|
|
905 430 TIP3 H1 36.6194288734 5.6578126943 13.7271153074 SOLV 229 0.0000000000
|
|
906 430 TIP3 H2 37.5802440773 5.1463059116 14.7932292823 SOLV 229 0.0000000000
|
|
907 431 TIP3 OH2 23.6831559627 3.2857882079 12.5053937108 SOLV 230 0.0000000000
|
|
908 431 TIP3 H1 23.2917016965 3.8432501443 11.7916985990 SOLV 230 0.0000000000
|
|
909 431 TIP3 H2 23.0016809911 3.3791429003 13.2026475844 SOLV 230 0.0000000000
|
|
910 432 TIP3 OH2 30.3431923921 12.6151236802 6.0067751915 SOLV 231 0.0000000000
|
|
911 432 TIP3 H1 30.4835240623 12.8130826170 5.0645911314 SOLV 231 0.0000000000
|
|
912 432 TIP3 H2 29.8796850754 13.4329066474 6.2907853367 SOLV 231 0.0000000000
|
|
913 433 TIP3 OH2 25.9587128047 11.1299097705 12.3283920181 SOLV 232 0.0000000000
|
|
914 433 TIP3 H1 25.4474686534 11.8532621096 12.7538485026 SOLV 232 0.0000000000
|
|
915 433 TIP3 H2 26.6418300955 11.6260840829 11.8360287663 SOLV 232 0.0000000000
|
|
916 434 TIP3 OH2 33.7340721893 3.7991738236 9.4017892556 SOLV 233 0.0000000000
|
|
917 434 TIP3 H1 32.8422533078 3.6485563521 9.7756861341 SOLV 233 0.0000000000
|
|
918 434 TIP3 H2 34.1245632907 4.4879992591 9.9827046484 SOLV 233 0.0000000000
|
|
919 435 TIP3 OH2 23.1542278891 5.0170072033 10.5155866545 SOLV 234 0.0000000000
|
|
920 435 TIP3 H1 23.7677433544 5.6208408107 11.0138722380 SOLV 234 0.0000000000
|
|
921 435 TIP3 H2 23.7241245412 4.7684293623 9.7525148228 SOLV 234 0.0000000000
|
|
922 436 TIP3 OH2 24.5544526563 13.0368395569 13.5920038258 SOLV 235 0.0000000000
|
|
923 436 TIP3 H1 24.3507831726 13.9251888437 13.2715480995 SOLV 235 0.0000000000
|
|
924 436 TIP3 H2 23.6629333885 12.7841010144 13.9184106341 SOLV 235 0.0000000000
|
|
925 437 TIP3 OH2 20.4385467107 12.6158885641 4.2715219054 SOLV 236 0.0000000000
|
|
926 437 TIP3 H1 20.2843954617 13.1178342638 3.4446983891 SOLV 236 0.0000000000
|
|
927 437 TIP3 H2 20.4012798191 13.3211082646 4.9323668550 SOLV 236 0.0000000000
|
|
928 438 TIP3 OH2 33.9483023622 14.3400837405 10.9895128804 SOLV 237 0.0000000000
|
|
929 438 TIP3 H1 32.9770003576 14.4355005393 11.1565430347 SOLV 237 0.0000000000
|
|
930 438 TIP3 H2 34.1884797427 15.2819803559 10.8650099600 SOLV 237 0.0000000000
|
|
931 439 TIP3 OH2 34.5148993026 2.8754412433 12.6682452600 SOLV 238 0.0000000000
|
|
932 439 TIP3 H1 33.9128967664 3.0199556819 11.9286167858 SOLV 238 0.0000000000
|
|
933 439 TIP3 H2 35.3931809078 3.0747079609 12.2981177600 SOLV 238 0.0000000000
|
|
934 440 TIP3 OH2 26.9748255929 1.1259839666 9.7726129869 SOLV 239 0.0000000000
|
|
935 440 TIP3 H1 27.4420713196 0.4056828644 10.2362554967 SOLV 239 0.0000000000
|
|
936 440 TIP3 H2 26.1047155505 1.0699375297 10.1961671536 SOLV 239 0.0000000000
|
|
937 441 TIP3 OH2 32.2099632876 15.9836911980 7.2929431779 SOLV 240 0.0000000000
|
|
938 441 TIP3 H1 32.4987107307 15.0789902623 7.0143319984 SOLV 240 0.0000000000
|
|
939 441 TIP3 H2 33.1001507036 16.4216966967 7.2974203227 SOLV 240 0.0000000000
|
|
940 442 TIP3 OH2 33.3267269392 13.6037339681 6.4009409382 SOLV 241 0.0000000000
|
|
941 442 TIP3 H1 33.5337333543 12.9817997012 5.6831178400 SOLV 241 0.0000000000
|
|
942 442 TIP3 H2 33.4933448594 13.0633545644 7.2064550257 SOLV 241 0.0000000000
|
|
943 443 TIP3 OH2 34.8564242374 12.3466822795 14.7714455555 SOLV 242 0.0000000000
|
|
944 443 TIP3 H1 35.1271262675 11.7587156296 14.0341330461 SOLV 242 0.0000000000
|
|
945 443 TIP3 H2 35.0836315489 13.2237223543 14.3460276349 SOLV 242 0.0000000000
|
|
946 444 TIP3 OH2 29.6514420492 9.1176891781 4.6232993771 SOLV 243 0.0000000000
|
|
947 444 TIP3 H1 29.1399086817 9.9399389050 4.5066858493 SOLV 243 0.0000000000
|
|
948 444 TIP3 H2 30.3283758825 9.1891188593 3.9096028491 SOLV 243 0.0000000000
|
|
949 445 TIP3 OH2 29.8995882751 7.7186564264 0.9048389633 SOLV 244 0.0000000000
|
|
950 445 TIP3 H1 30.6479813418 8.1096600373 1.3750990301 SOLV 244 0.0000000000
|
|
951 445 TIP3 H2 30.3985306821 7.1170349772 0.2854278490 SOLV 244 0.0000000000
|
|
952 446 TIP3 OH2 36.7427963141 8.8022381249 12.5829045538 SOLV 245 0.0000000000
|
|
953 446 TIP3 H1 36.1608639245 9.5930862406 12.6541390908 SOLV 245 0.0000000000
|
|
954 446 TIP3 H2 37.4188892105 9.1312255044 11.9665520566 SOLV 245 0.0000000000
|
|
955 447 TIP3 OH2 33.4027019943 9.6003169073 5.2074724614 SOLV 246 0.0000000000
|
|
956 447 TIP3 H1 32.6497637326 9.7009180469 5.8423151218 SOLV 246 0.0000000000
|
|
957 447 TIP3 H2 34.0565051399 9.1583112003 5.7860956668 SOLV 246 0.0000000000
|
|
958 448 TIP3 OH2 32.6618494645 7.6214102424 14.8235749499 SOLV 247 0.0000000000
|
|
959 448 TIP3 H1 32.5107546538 8.3786027811 15.4180914031 SOLV 247 0.0000000000
|
|
960 448 TIP3 H2 32.0381239074 7.8473043244 14.1001607477 SOLV 247 0.0000000000
|
|
961 449 TIP3 OH2 24.4772687659 10.1468111956 7.3527172621 SOLV 248 0.0000000000
|
|
962 449 TIP3 H1 24.1841463459 9.7560188640 6.4947359642 SOLV 248 0.0000000000
|
|
963 449 TIP3 H2 25.0593311569 9.4548439671 7.7154375605 SOLV 248 0.0000000000
|
|
964 450 TIP3 OH2 26.0973355929 13.5738455413 9.9125415994 SOLV 249 0.0000000000
|
|
965 450 TIP3 H1 26.3068730128 13.6573459187 8.9753581162 SOLV 249 0.0000000000
|
|
966 450 TIP3 H2 26.8466762364 13.0480620532 10.2806246318 SOLV 249 0.0000000000
|
|
967 451 TIP3 OH2 24.7681068213 9.0250492542 11.1431898870 SOLV 250 0.0000000000
|
|
968 451 TIP3 H1 25.2048230714 8.8716982645 10.2747529167 SOLV 250 0.0000000000
|
|
969 451 TIP3 H2 25.3657111125 9.6681183935 11.5837720592 SOLV 250 0.0000000000
|
|
970 452 TIP3 OH2 31.4641237560 14.5077968751 11.8255592541 SOLV 251 0.0000000000
|
|
971 452 TIP3 H1 31.4253234030 15.2121408167 12.5063672412 SOLV 251 0.0000000000
|
|
972 452 TIP3 H2 30.9878405453 13.7773133597 12.2680587758 SOLV 251 0.0000000000
|
|
973 453 TIP3 OH2 26.2475720544 13.6104196907 15.6679353077 SOLV 252 0.0000000000
|
|
974 453 TIP3 H1 25.5240000648 14.1007027472 16.1393564533 SOLV 252 0.0000000000
|
|
975 453 TIP3 H2 25.7230874742 13.2665605821 14.9045437021 SOLV 252 0.0000000000
|
|
976 454 TIP3 OH2 31.8705427131 8.6825867768 3.0590767894 SOLV 253 0.0000000000
|
|
977 454 TIP3 H1 32.4421267403 9.0758645118 3.7503200491 SOLV 253 0.0000000000
|
|
978 454 TIP3 H2 32.3305330104 9.0231632878 2.2541891390 SOLV 253 0.0000000000
|
|
979 455 TIP3 OH2 23.0986181040 9.2098692472 15.3127245321 SOLV 254 0.0000000000
|
|
980 455 TIP3 H1 23.0719572736 10.0800889558 15.7578900008 SOLV 254 0.0000000000
|
|
981 455 TIP3 H2 22.1575707249 8.9757649940 15.3465615191 SOLV 254 0.0000000000
|
|
982 456 TIP3 OH2 29.5181162835 15.2136607408 6.3336303522 SOLV 255 0.0000000000
|
|
983 456 TIP3 H1 30.3428007838 15.4888974158 6.7558573624 SOLV 255 0.0000000000
|
|
984 456 TIP3 H2 29.2314566039 16.0229489843 5.8928300380 SOLV 255 0.0000000000
|
|
985 457 TIP3 OH2 24.3337172946 15.0993728032 16.6249344487 SOLV 256 0.0000000000
|
|
986 457 TIP3 H1 24.2996990877 15.5139330555 15.7295832274 SOLV 256 0.0000000000
|
|
987 457 TIP3 H2 23.3670795204 14.9681644603 16.7584638582 SOLV 256 0.0000000000
|
|
988 458 TIP3 OH2 35.5645813844 0.7184208146 2.2497271533 SOLV 257 0.0000000000
|
|
989 458 TIP3 H1 34.8542254859 1.1160603403 2.7818486841 SOLV 257 0.0000000000
|
|
990 458 TIP3 H2 36.1754886202 1.4630682427 2.0982268077 SOLV 257 0.0000000000
|
|
991 459 TIP3 OH2 23.5026092347 9.1202686521 5.0859849340 SOLV 258 0.0000000000
|
|
992 459 TIP3 H1 23.1238379237 9.8630897103 4.5598525692 SOLV 258 0.0000000000
|
|
993 459 TIP3 H2 23.3347576434 8.3573138619 4.5192061928 SOLV 258 0.0000000000
|
|
994 460 TIP3 OH2 36.8275327804 15.0289146144 1.7515762047 SOLV 259 0.0000000000
|
|
995 460 TIP3 H1 37.1923269635 15.9237035257 1.6375723288 SOLV 259 0.0000000000
|
|
996 460 TIP3 H2 37.6388028758 14.4806911157 1.6618010183 SOLV 259 0.0000000000
|
|
997 461 TIP3 OH2 19.6093917135 11.5297366726 14.2127560186 SOLV 260 0.0000000000
|
|
998 461 TIP3 H1 19.3078903665 11.8248273307 13.3285510332 SOLV 260 0.0000000000
|
|
999 461 TIP3 H2 20.0079249462 10.6826969335 13.9754337282 SOLV 260 0.0000000000
|
|
1000 462 TIP3 OH2 19.5179618292 14.4576815224 10.6694337963 SOLV 261 0.0000000000
|
|
1001 462 TIP3 H1 20.4010734313 14.7233489741 10.9498392758 SOLV 261 0.0000000000
|
|
1002 462 TIP3 H2 18.9960489399 15.2155704320 11.0082062761 SOLV 261 0.0000000000
|
|
1003 463 TIP3 OH2 37.4413164644 15.2388539104 17.0291296028 SOLV 262 0.0000000000
|
|
1004 463 TIP3 H1 37.4789459449 14.2719277742 16.9877845326 SOLV 262 0.0000000000
|
|
1005 463 TIP3 H2 36.4843646006 15.3798985122 17.1816491205 SOLV 262 0.0000000000
|
|
1006 464 TIP3 OH2 28.7628019333 14.3972931562 15.2344387835 SOLV 263 0.0000000000
|
|
1007 464 TIP3 H1 28.7177182826 15.3603671217 15.4063642115 SOLV 263 0.0000000000
|
|
1008 464 TIP3 H2 27.8042348954 14.1857907142 15.0972372409 SOLV 263 0.0000000000
|
|
1009 465 TIP3 OH2 29.4371217368 17.9796873142 4.8951531887 SOLV 264 0.0000000000
|
|
1010 465 TIP3 H1 29.3933875624 18.0466418508 3.9156214426 SOLV 264 0.0000000000
|
|
1011 465 TIP3 H2 29.1519655195 18.8858450353 5.1538482380 SOLV 264 0.0000000000
|
|
1012 466 TIP3 OH2 22.8581147188 16.8474178762 6.9598613273 SOLV 265 0.0000000000
|
|
1013 466 TIP3 H1 22.9417518692 16.4583898533 7.8596530804 SOLV 265 0.0000000000
|
|
1014 466 TIP3 H2 22.3064038511 16.1752473498 6.5124097844 SOLV 265 0.0000000000
|
|
1015 467 TIP3 OH2 31.9623662837 17.6686890313 2.1690372054 SOLV 266 0.0000000000
|
|
1016 467 TIP3 H1 32.5628192449 16.9823703409 1.7812050197 SOLV 266 0.0000000000
|
|
1017 467 TIP3 H2 32.2522862934 17.6338794152 3.1067168766 SOLV 266 0.0000000000
|
|
1018 468 TIP3 OH2 32.0843668602 17.6000406814 4.9174569990 SOLV 267 0.0000000000
|
|
1019 468 TIP3 H1 31.1024513911 17.7070255703 4.9255792709 SOLV 267 0.0000000000
|
|
1020 468 TIP3 H2 32.2173381560 16.9675598106 5.6527176138 SOLV 267 0.0000000000
|
|
1021 469 TIP3 OH2 34.5801630310 6.2746345390 16.9064935482 SOLV 268 0.0000000000
|
|
1022 469 TIP3 H1 34.0244477705 6.6464453257 16.1893980510 SOLV 268 0.0000000000
|
|
1023 469 TIP3 H2 34.7574406145 5.3644739144 16.5759826910 SOLV 268 0.0000000000
|
|
1024 470 TIP3 OH2 22.1086699479 12.9998711628 14.6255968599 SOLV 269 0.0000000000
|
|
1025 470 TIP3 H1 22.2262520071 12.6409688906 15.5270170733 SOLV 269 0.0000000000
|
|
1026 470 TIP3 H2 21.2788834221 12.5781005591 14.3587836362 SOLV 269 0.0000000000
|
|
1027 471 TIP3 OH2 24.6496189937 0.8889654706 11.5296826645 SOLV 270 0.0000000000
|
|
1028 471 TIP3 H1 23.9804576329 0.7908349086 10.8074080147 SOLV 270 0.0000000000
|
|
1029 471 TIP3 H2 24.3635998251 1.7675682122 11.8694012881 SOLV 270 0.0000000000
|
|
1030 472 TIP3 OH2 29.4480065444 1.7102288535 13.8801300682 SOLV 271 0.0000000000
|
|
1031 472 TIP3 H1 29.7707269222 0.8239414773 13.6197084915 SOLV 271 0.0000000000
|
|
1032 472 TIP3 H2 28.5020249347 1.4671550600 14.0000618067 SOLV 271 0.0000000000
|
|
1033 473 TIP3 OH2 32.4295596800 4.9615938336 15.1695793294 SOLV 272 0.0000000000
|
|
1034 473 TIP3 H1 31.8742751970 4.6758911256 15.9263046609 SOLV 272 0.0000000000
|
|
1035 473 TIP3 H2 32.3500114512 5.9376687106 15.1963685732 SOLV 272 0.0000000000
|
|
1036 474 TIP3 OH2 32.9617566481 9.5069879170 0.8801158867 SOLV 273 0.0000000000
|
|
1037 474 TIP3 H1 32.7635636923 9.6255601394 -0.0823335768 SOLV 273 0.0000000000
|
|
1038 474 TIP3 H2 33.9166840364 9.7097668823 0.8482698563 SOLV 273 0.0000000000
|
|
1039 475 TIP3 OH2 28.6270913630 3.9180588381 1.4219552823 SOLV 274 0.0000000000
|
|
1040 475 TIP3 H1 28.2204899768 3.5403782363 2.2344235426 SOLV 274 0.0000000000
|
|
1041 475 TIP3 H2 28.7633845368 3.1155406711 0.9014715712 SOLV 274 0.0000000000
|
|
1042 476 TIP3 OH2 24.7410704912 6.4774803896 12.0922642557 SOLV 275 0.0000000000
|
|
1043 476 TIP3 H1 23.9780359125 6.4510382439 12.7190216236 SOLV 275 0.0000000000
|
|
1044 476 TIP3 H2 24.8221993906 7.4380110969 11.9273168169 SOLV 275 0.0000000000
|
|
1045 477 TIP3 OH2 24.7484333959 6.5790563385 7.1634361295 SOLV 276 0.0000000000
|
|
1046 477 TIP3 H1 23.7813154134 6.5403714883 6.9732048402 SOLV 276 0.0000000000
|
|
1047 477 TIP3 H2 25.1252243048 6.2568280847 6.3166379604 SOLV 276 0.0000000000
|
|
1048 478 TIP3 OH2 30.3373800021 6.6493347596 5.5676167388 SOLV 277 0.0000000000
|
|
1049 478 TIP3 H1 30.0483028687 7.5482278664 5.2852129100 SOLV 277 0.0000000000
|
|
1050 478 TIP3 H2 30.9412307081 6.4130857730 4.8463460720 SOLV 277 0.0000000000
|
|
1051 479 TIP3 OH2 29.4569425348 7.1808383379 16.8219104227 SOLV 278 0.0000000000
|
|
1052 479 TIP3 H1 28.8752021708 6.4660983800 17.1592157596 SOLV 278 0.0000000000
|
|
1053 479 TIP3 H2 30.2331036680 7.0336846471 17.3936422353 SOLV 278 0.0000000000
|
|
1054 480 TIP3 OH2 31.1936341562 6.0690047081 8.2723077252 SOLV 279 0.0000000000
|
|
1055 480 TIP3 H1 30.7919953339 6.5803542420 7.5489896999 SOLV 279 0.0000000000
|
|
1056 480 TIP3 H2 31.6903960494 5.4205743898 7.7415782445 SOLV 279 0.0000000000
|
|
1057 481 TIP3 OH2 22.5922750132 6.3621115222 13.6060005572 SOLV 280 0.0000000000
|
|
1058 481 TIP3 H1 22.5815827380 6.8565040395 14.4354831951 SOLV 280 0.0000000000
|
|
1059 481 TIP3 H2 22.0355542678 5.5843905416 13.8520846422 SOLV 280 0.0000000000
|
|
1060 482 TIP3 OH2 25.0298693317 3.9121454128 0.1749341250 SOLV 281 0.0000000000
|
|
1061 482 TIP3 H1 24.9899853267 3.7944564882 1.1464584905 SOLV 281 0.0000000000
|
|
1062 482 TIP3 H2 24.8174120348 4.8642239524 0.0777052952 SOLV 281 0.0000000000
|
|
1063 483 TIP3 OH2 18.9707785286 3.5463443662 7.7847465976 SOLV 282 0.0000000000
|
|
1064 483 TIP3 H1 19.6490389551 3.4710615929 8.4929657640 SOLV 282 0.0000000000
|
|
1065 483 TIP3 H2 19.3890561509 4.1651019675 7.1782774108 SOLV 282 0.0000000000
|
|
1066 484 TIP3 OH2 19.8908940220 4.4963845901 3.0300504168 SOLV 283 0.0000000000
|
|
1067 484 TIP3 H1 20.6208420535 4.9271454955 2.5424798908 SOLV 283 0.0000000000
|
|
1068 484 TIP3 H2 19.3172137005 5.2461494624 3.2767633230 SOLV 283 0.0000000000
|
|
1069 485 TIP3 OH2 30.5235787814 7.6602383570 12.8669069262 SOLV 284 0.0000000000
|
|
1070 485 TIP3 H1 30.9489860063 6.9655331272 12.3131212049 SOLV 284 0.0000000000
|
|
1071 485 TIP3 H2 29.7885467980 7.1682721937 13.2848256556 SOLV 284 0.0000000000
|
|
1072 486 TIP3 OH2 27.7349758954 4.3891211449 8.0737600993 SOLV 285 0.0000000000
|
|
1073 486 TIP3 H1 26.8654313116 4.1118715796 8.4181355975 SOLV 285 0.0000000000
|
|
1074 486 TIP3 H2 28.3134171285 3.8353284204 8.6402578037 SOLV 285 0.0000000000
|
|
1075 487 TIP3 OH2 22.1375705660 5.7663507924 6.7238934761 SOLV 286 0.0000000000
|
|
1076 487 TIP3 H1 21.2985095131 6.0372836614 6.2845895691 SOLV 286 0.0000000000
|
|
1077 487 TIP3 H2 22.3018552379 4.8806943162 6.3745299576 SOLV 286 0.0000000000
|
|
1078 488 TIP3 OH2 25.4609742424 5.5693055166 4.7917094813 SOLV 287 0.0000000000
|
|
1079 488 TIP3 H1 26.4424165587 5.5074167375 4.7883059289 SOLV 287 0.0000000000
|
|
1080 488 TIP3 H2 25.2788793005 6.2551320021 4.1298932519 SOLV 287 0.0000000000
|
|
1081 489 TIP3 OH2 31.5473444864 3.2288337007 10.9880510677 SOLV 288 0.0000000000
|
|
1082 489 TIP3 H1 31.2218771269 3.4461223470 11.8895275631 SOLV 288 0.0000000000
|
|
1083 489 TIP3 H2 30.7031469540 3.0822613177 10.5028679306 SOLV 288 0.0000000000
|
|
1084 490 TIP3 OH2 24.2169522155 7.3829812245 2.7846204390 SOLV 289 0.0000000000
|
|
1085 490 TIP3 H1 23.6899403298 6.6523110854 2.4242717105 SOLV 289 0.0000000000
|
|
1086 490 TIP3 H2 25.0040263362 7.2976835172 2.2212706456 SOLV 289 0.0000000000
|
|
1087 491 TIP3 OH2 34.9784948341 18.9449503139 17.2979131873 SOLV 290 0.0000000000
|
|
1088 491 TIP3 H1 35.3684183019 19.1563803916 16.4181376812 SOLV 290 0.0000000000
|
|
1089 491 TIP3 H2 35.7061191298 19.2343377848 17.8687620784 SOLV 290 0.0000000000
|
|
1090 492 TIP3 OH2 22.5445939747 11.3444822196 17.0096877500 SOLV 291 0.0000000000
|
|
1091 492 TIP3 H1 23.3281358698 11.4028748624 17.5915385920 SOLV 291 0.0000000000
|
|
1092 492 TIP3 H2 21.8044732408 11.4799210739 17.6412440999 SOLV 291 0.0000000000
|
|
1093 493 TIP3 OH2 28.4755391868 6.9380241603 9.9709062936 SOLV 292 0.0000000000
|
|
1094 493 TIP3 H1 28.9488765789 6.2916297580 9.4155684790 SOLV 292 0.0000000000
|
|
1095 493 TIP3 H2 28.0319881262 6.3705173196 10.6407626037 SOLV 292 0.0000000000
|
|
1096 494 TIP3 OH2 23.6035401996 2.8707642208 6.4906194739 SOLV 293 0.0000000000
|
|
1097 494 TIP3 H1 22.9030496897 2.2871027911 6.8160270551 SOLV 293 0.0000000000
|
|
1098 494 TIP3 H2 24.3236393389 2.2340052252 6.3276272936 SOLV 293 0.0000000000
|
|
1099 495 TIP3 OH2 27.3603564125 5.5175988361 12.1152249525 SOLV 294 0.0000000000
|
|
1100 495 TIP3 H1 26.5056109127 5.9594163143 12.2965723443 SOLV 294 0.0000000000
|
|
1101 495 TIP3 H2 27.9365022117 5.8994240814 12.8080537104 SOLV 294 0.0000000000
|
|
1102 496 TIP3 OH2 27.9251531515 11.2937289814 3.8741296110 SOLV 295 0.0000000000
|
|
1103 496 TIP3 H1 27.2208351329 10.8774656837 3.3530770483 SOLV 295 0.0000000000
|
|
1104 496 TIP3 H2 27.4042863208 11.5591984115 4.6703265444 SOLV 295 0.0000000000
|
|
1105 497 TIP3 OH2 35.0156303621 10.8338110431 12.3800721457 SOLV 296 0.0000000000
|
|
1106 497 TIP3 H1 35.6322392528 11.3316247875 11.7991681895 SOLV 296 0.0000000000
|
|
1107 497 TIP3 H2 34.2497100300 10.6730568655 11.7854961914 SOLV 296 0.0000000000
|
|
1108 498 TIP3 OH2 31.1223312807 4.0298116561 2.4873130263 SOLV 297 0.0000000000
|
|
1109 498 TIP3 H1 30.3106638636 4.4028265662 2.0804610997 SOLV 297 0.0000000000
|
|
1110 498 TIP3 H2 31.6791632397 4.8268723175 2.6624434246 SOLV 297 0.0000000000
|
|
1111 499 TIP3 OH2 28.9534277096 11.5868936172 15.1233710350 SOLV 298 0.0000000000
|
|
1112 499 TIP3 H1 29.6640106633 11.1586871632 15.6233872940 SOLV 298 0.0000000000
|
|
1113 499 TIP3 H2 29.1749449338 12.5333574516 15.1517316369 SOLV 298 0.0000000000
|
|
1114 500 TIP3 OH2 32.3914515655 6.1133115779 3.6651912694 SOLV 299 0.0000000000
|
|
1115 500 TIP3 H1 33.1991182144 6.2311220681 4.1994422105 SOLV 299 0.0000000000
|
|
1116 500 TIP3 H2 32.3117176417 6.9631689527 3.1921502935 SOLV 299 0.0000000000
|
|
1117 501 TIP3 OH2 23.0253543876 10.9327063314 9.5483493266 SOLV 300 0.0000000000
|
|
1118 501 TIP3 H1 23.4516263859 10.8023816785 8.6768543134 SOLV 300 0.0000000000
|
|
1119 501 TIP3 H2 23.5134565190 10.3006085499 10.0958139662 SOLV 300 0.0000000000
|
|
1120 502 TIP3 OH2 30.0409281722 12.6561746740 3.1463663606 SOLV 301 0.0000000000
|
|
1121 502 TIP3 H1 29.6246830255 13.5437758011 3.2742997031 SOLV 301 0.0000000000
|
|
1122 502 TIP3 H2 29.2970226865 12.0666858868 3.4238637646 SOLV 301 0.0000000000
|
|
1123 503 TIP3 OH2 19.9922103268 8.6308654933 14.7557467975 SOLV 302 0.0000000000
|
|
1124 503 TIP3 H1 19.5771467295 8.2994641844 15.5717857529 SOLV 302 0.0000000000
|
|
1125 503 TIP3 H2 19.2398559151 8.6185536310 14.1326988304 SOLV 302 0.0000000000
|
|
1126 504 TIP3 OH2 27.1884330957 8.8118387733 17.0342893103 SOLV 303 0.0000000000
|
|
1127 504 TIP3 H1 26.5629046100 8.2759153447 16.5083492368 SOLV 303 0.0000000000
|
|
1128 504 TIP3 H2 28.0270287057 8.3243568752 16.8774693164 SOLV 303 0.0000000000
|
|
1129 505 TIP3 OH2 31.5549176154 14.1368331576 15.3417474489 SOLV 304 0.0000000000
|
|
1130 505 TIP3 H1 30.6492840705 14.2799249714 15.0130106107 SOLV 304 0.0000000000
|
|
1131 505 TIP3 H2 31.4999890307 14.6294737096 16.1865257826 SOLV 304 0.0000000000
|
|
1132 506 TIP3 OH2 36.9030078878 6.6096333935 3.6582320697 SOLV 305 0.0000000000
|
|
1133 506 TIP3 H1 36.3913053299 6.2880273634 2.8722110821 SOLV 305 0.0000000000
|
|
1134 506 TIP3 H2 37.1261438211 7.5153177965 3.3282330555 SOLV 305 0.0000000000
|
|
1135 507 TIP3 OH2 37.1665590813 12.2971952045 16.3898000530 SOLV 306 0.0000000000
|
|
1136 507 TIP3 H1 36.2682337477 12.5107798673 16.0654959739 SOLV 306 0.0000000000
|
|
1137 507 TIP3 H2 37.5857175462 12.0524686102 15.5320946043 SOLV 306 0.0000000000
|
|
1138 508 TIP3 OH2 35.4304358521 15.1278357065 4.0559150894 SOLV 307 0.0000000000
|
|
1139 508 TIP3 H1 34.8010418672 14.3866198658 4.1356454972 SOLV 307 0.0000000000
|
|
1140 508 TIP3 H2 35.7587405270 15.0270312206 3.1472017304 SOLV 307 0.0000000000
|
|
1141 509 TIP3 OH2 32.8507459879 10.0639816647 10.8019848624 SOLV 308 0.0000000000
|
|
1142 509 TIP3 H1 31.9248908676 9.9929676840 10.5205283415 SOLV 308 0.0000000000
|
|
1143 509 TIP3 H2 33.2497180898 9.3621671077 10.2622460803 SOLV 308 0.0000000000
|
|
1144 510 TIP3 OH2 25.3736530498 14.2773061646 7.2443349103 SOLV 309 0.0000000000
|
|
1145 510 TIP3 H1 25.7168251517 15.1381100186 6.9565549150 SOLV 309 0.0000000000
|
|
1146 510 TIP3 H2 24.4666711677 14.3079455116 6.9211456001 SOLV 309 0.0000000000
|
|
1147 511 TIP3 OH2 21.1527500190 8.6782674274 2.1526732899 SOLV 310 0.0000000000
|
|
1148 511 TIP3 H1 21.6405975347 9.3966279718 2.5931739067 SOLV 310 0.0000000000
|
|
1149 511 TIP3 H2 20.2322355677 8.9072141476 2.3897587688 SOLV 310 0.0000000000
|
|
1150 512 TIP3 OH2 26.2931196874 12.0650221221 5.9540676906 SOLV 311 0.0000000000
|
|
1151 512 TIP3 H1 26.1009728285 12.9059448898 6.4174920982 SOLV 311 0.0000000000
|
|
1152 512 TIP3 H2 25.7297542404 11.4630051525 6.4658332591 SOLV 311 0.0000000000
|
|
1153 513 TIP3 OH2 27.1226740387 16.1940788619 12.7621115878 SOLV 312 0.0000000000
|
|
1154 513 TIP3 H1 27.7587104496 16.9322369697 12.6651880076 SOLV 312 0.0000000000
|
|
1155 513 TIP3 H2 27.6640832059 15.4561042349 12.4625914927 SOLV 312 0.0000000000
|
|
1156 514 TIP3 OH2 25.3312369599 16.9747766402 5.8951245360 SOLV 313 0.0000000000
|
|
1157 514 TIP3 H1 24.4939985949 16.9777313829 6.4089472469 SOLV 313 0.0000000000
|
|
1158 514 TIP3 H2 25.7931949142 17.7028044908 6.3650457052 SOLV 313 0.0000000000
|
|
1159 515 TIP3 OH2 30.2385358407 12.1467967062 12.6121831297 SOLV 314 0.0000000000
|
|
1160 515 TIP3 H1 29.8642112696 11.7139625524 13.4051771025 SOLV 314 0.0000000000
|
|
1161 515 TIP3 H2 30.8054730215 11.4392906643 12.2646251606 SOLV 314 0.0000000000
|
|
1162 516 TIP3 OH2 32.5775419673 12.9396474308 2.1796632147 SOLV 315 0.0000000000
|
|
1163 516 TIP3 H1 33.1546647344 12.5698395981 2.8846233502 SOLV 315 0.0000000000
|
|
1164 516 TIP3 H2 31.7176057765 12.8311702585 2.5962855629 SOLV 315 0.0000000000
|
|
1165 517 TIP3 OH2 33.4849211297 16.7672857599 14.8198953087 SOLV 316 0.0000000000
|
|
1166 517 TIP3 H1 32.6383748176 16.4027324696 14.5006546861 SOLV 316 0.0000000000
|
|
1167 517 TIP3 H2 33.6743883036 17.4168460635 14.1203065362 SOLV 316 0.0000000000
|
|
1168 518 TIP3 OH2 37.6560617314 17.7710324562 1.8353881333 SOLV 317 0.0000000000
|
|
1169 518 TIP3 H1 38.2665168733 18.5189281296 1.9840691902 SOLV 317 0.0000000000
|
|
1170 518 TIP3 H2 36.8260699534 18.1886578026 2.1546846303 SOLV 317 0.0000000000
|
|
1171 519 TIP3 OH2 21.5512663599 3.9537194234 14.4997729337 SOLV 318 0.0000000000
|
|
1172 519 TIP3 H1 20.6880007406 3.6061240226 14.2293553163 SOLV 318 0.0000000000
|
|
1173 519 TIP3 H2 21.7284629145 3.3942944767 15.2928488554 SOLV 318 0.0000000000
|
|
1174 520 TIP3 OH2 34.0631945289 11.9829040053 4.1544315803 SOLV 319 0.0000000000
|
|
1175 520 TIP3 H1 33.8083063195 11.1123355377 4.5508698644 SOLV 319 0.0000000000
|
|
1176 520 TIP3 H2 35.0439493711 11.9355932487 4.1806909538 SOLV 319 0.0000000000
|
|
1177 521 TIP3 OH2 21.2691216358 15.6293761875 12.8399523935 SOLV 320 0.0000000000
|
|
1178 521 TIP3 H1 21.8717006901 14.8923955994 13.0414513825 SOLV 320 0.0000000000
|
|
1179 521 TIP3 H2 21.5067484301 16.2800792948 13.5154143368 SOLV 320 0.0000000000
|
|
1180 522 TIP3 OH2 27.0346296542 14.2830129606 0.3332227922 SOLV 321 0.0000000000
|
|
1181 522 TIP3 H1 27.2365939705 13.4494337826 -0.1167391080 SOLV 321 0.0000000000
|
|
1182 522 TIP3 H2 26.3396299958 14.0224312960 0.9836354615 SOLV 321 0.0000000000
|
|
1183 523 TIP3 OH2 25.5942255195 13.6082312752 2.5707356302 SOLV 322 0.0000000000
|
|
1184 523 TIP3 H1 26.1409542655 13.1065384540 3.1991796820 SOLV 322 0.0000000000
|
|
1185 523 TIP3 H2 25.7397570773 14.5242396570 2.9162286892 SOLV 322 0.0000000000
|
|
1186 524 TIP3 OH2 22.3115062061 10.9156420566 3.3327422992 SOLV 323 0.0000000000
|
|
1187 524 TIP3 H1 21.4627284512 11.2931204551 3.6527229015 SOLV 323 0.0000000000
|
|
1188 524 TIP3 H2 22.6963313742 11.7304088075 2.9459879733 SOLV 323 0.0000000000
|
|
1189 525 TIP3 OH2 30.5117672672 4.1050732863 13.3581363325 SOLV 324 0.0000000000
|
|
1190 525 TIP3 H1 31.2217505298 4.1107910718 14.0250065247 SOLV 324 0.0000000000
|
|
1191 525 TIP3 H2 30.0954874247 3.2198248222 13.5287205508 SOLV 324 0.0000000000
|
|
1192 526 TIP3 OH2 30.9117687673 3.0710261243 4.9542060226 SOLV 325 0.0000000000
|
|
1193 526 TIP3 H1 30.8871463873 3.4041710079 4.0338278622 SOLV 325 0.0000000000
|
|
1194 526 TIP3 H2 31.5846864751 3.6503799707 5.3688819988 SOLV 325 0.0000000000
|
|
1195 527 TIP3 OH2 28.6483668521 15.0290387506 3.2665463123 SOLV 326 0.0000000000
|
|
1196 527 TIP3 H1 27.9062993800 15.4986311156 3.6953781840 SOLV 326 0.0000000000
|
|
1197 527 TIP3 H2 28.7677438772 15.5508988184 2.4654041263 SOLV 326 0.0000000000
|
|
1198 528 TIP3 OH2 27.9510981202 5.1002450175 5.3870380648 SOLV 327 0.0000000000
|
|
1199 528 TIP3 H1 28.7265828495 5.6863684139 5.4745935113 SOLV 327 0.0000000000
|
|
1200 528 TIP3 H2 27.8160617186 4.8443942954 6.3303110396 SOLV 327 0.0000000000
|
|
1201 529 TIP3 OH2 28.8588477069 6.0792664678 14.3990431102 SOLV 328 0.0000000000
|
|
1202 529 TIP3 H1 29.1523355881 6.3432430658 15.2917579720 SOLV 328 0.0000000000
|
|
1203 529 TIP3 H2 29.4363266521 5.3139397501 14.1684902541 SOLV 328 0.0000000000
|
|
1204 530 TIP3 OH2 28.7913542442 2.2401909548 6.2488092356 SOLV 329 0.0000000000
|
|
1205 530 TIP3 H1 29.0029224348 2.8848567363 6.9313190386 SOLV 329 0.0000000000
|
|
1206 530 TIP3 H2 29.6311982730 2.3044711530 5.7218114516 SOLV 329 0.0000000000
|
|
1207 531 TIP3 OH2 26.1230243997 16.0518768580 3.5128540843 SOLV 330 0.0000000000
|
|
1208 531 TIP3 H1 26.2354750436 16.8986554291 3.0129266896 SOLV 330 0.0000000000
|
|
1209 531 TIP3 H2 25.7422844399 16.4286913822 4.3489470615 SOLV 330 0.0000000000
|
|
1210 532 TIP3 OH2 25.0540064567 3.6560032728 2.8695582186 SOLV 331 0.0000000000
|
|
1211 532 TIP3 H1 24.8356647620 4.1704064408 3.6744652233 SOLV 331 0.0000000000
|
|
1212 532 TIP3 H2 25.9140329523 3.2686775276 3.1570111067 SOLV 331 0.0000000000
|
|
1213 533 TIP3 OH2 34.8991970784 3.8729359969 15.3774808955 SOLV 332 0.0000000000
|
|
1214 533 TIP3 H1 33.9717113436 4.1521725345 15.1979362127 SOLV 332 0.0000000000
|
|
1215 533 TIP3 H2 35.1317839025 3.4632259154 14.5228818842 SOLV 332 0.0000000000
|
|
1216 534 TIP3 OH2 33.4994006355 7.6580013710 9.2316862240 SOLV 333 0.0000000000
|
|
1217 534 TIP3 H1 32.6199232802 7.2573245347 9.1774587825 SOLV 333 0.0000000000
|
|
1218 534 TIP3 H2 33.9466573792 7.0583695440 9.8729352172 SOLV 333 0.0000000000
|
|
1219 535 TIP3 OH2 23.0108506886 13.1533442058 1.9177143218 SOLV 334 0.0000000000
|
|
1220 535 TIP3 H1 23.8616497945 13.5665325503 2.1703367124 SOLV 334 0.0000000000
|
|
1221 535 TIP3 H2 23.3345283679 12.5334550730 1.2404143426 SOLV 334 0.0000000000
|
|
1222 536 TIP3 OH2 21.4118473626 6.0664792498 1.0853490541 SOLV 335 0.0000000000
|
|
1223 536 TIP3 H1 21.4166956507 6.8965202110 1.5994168467 SOLV 335 0.0000000000
|
|
1224 536 TIP3 H2 20.6417365940 6.1882747260 0.4988243572 SOLV 335 0.0000000000
|
|
1225 537 TIP3 OH2 34.5545130647 16.9985087233 10.9745936789 SOLV 336 0.0000000000
|
|
1226 537 TIP3 H1 34.4693887795 17.6104730574 10.2225675304 SOLV 336 0.0000000000
|
|
1227 537 TIP3 H2 35.5240080023 17.1067798726 11.1308594800 SOLV 336 0.0000000000
|
|
1228 538 TIP3 OH2 22.6991187231 0.8491725139 9.6376511026 SOLV 337 0.0000000000
|
|
1229 538 TIP3 H1 22.3044545550 0.9783645242 8.7440011069 SOLV 337 0.0000000000
|
|
1230 538 TIP3 H2 22.5007510451 -0.1075617771 9.7146399932 SOLV 337 0.0000000000
|
|
1231 539 TIP3 OH2 20.9263710233 15.0968640465 5.9770676967 SOLV 338 0.0000000000
|
|
1232 539 TIP3 H1 20.2585057909 15.4515533422 6.5805930739 SOLV 338 0.0000000000
|
|
1233 539 TIP3 H2 20.7614616121 15.6223441845 5.1573744093 SOLV 338 0.0000000000
|
|
1234 540 TIP3 OH2 20.4098801154 18.0433024779 17.5152732436 SOLV 339 0.0000000000
|
|
1235 540 TIP3 H1 20.9882911025 17.7945343067 18.2764617364 SOLV 339 0.0000000000
|
|
1236 540 TIP3 H2 20.3035207627 17.1728644209 17.0977019611 SOLV 339 0.0000000000
|
|
1237 541 TIP3 OH2 24.4240835608 16.2256852821 19.1349042790 SOLV 340 0.0000000000
|
|
1238 541 TIP3 H1 25.2314307071 15.8639584059 19.5074467125 SOLV 340 0.0000000000
|
|
1239 541 TIP3 H2 24.3758406546 15.8347361085 18.2290102774 SOLV 340 0.0000000000
|
|
1240 542 TIP3 OH2 28.9076704167 16.2387549995 0.4487085624 SOLV 341 0.0000000000
|
|
1241 542 TIP3 H1 28.3196514983 15.4806434876 0.2508461569 SOLV 341 0.0000000000
|
|
1242 542 TIP3 H2 29.7725089406 15.8911283423 0.1299757697 SOLV 341 0.0000000000
|
|
1243 543 TIP3 OH2 30.9476355546 15.0198571576 17.8344888812 SOLV 342 0.0000000000
|
|
1244 543 TIP3 H1 30.8789570707 14.1781301503 18.3378500917 SOLV 342 0.0000000000
|
|
1245 543 TIP3 H2 31.7328808366 15.4146990042 18.2806611371 SOLV 342 0.0000000000
|
|
1246 544 TIP3 OH2 33.5274671496 15.8702012496 0.8543752709 SOLV 343 0.0000000000
|
|
1247 544 TIP3 H1 34.0404558640 15.0743075071 1.0523503326 SOLV 343 0.0000000000
|
|
1248 544 TIP3 H2 34.0743704082 16.3206712417 0.1737251278 SOLV 343 0.0000000000
|
|
1249 545 TIP3 OH2 20.1732081672 11.6018622201 18.3205373834 SOLV 344 0.0000000000
|
|
1250 545 TIP3 H1 20.0149988824 10.6464493720 18.2199864242 SOLV 344 0.0000000000
|
|
1251 545 TIP3 H2 19.5640578497 11.9712113827 17.6429635310 SOLV 344 0.0000000000
|
|
1252 546 TIP3 OH2 24.7583308468 11.0340793882 0.4092462206 SOLV 345 0.0000000000
|
|
1253 546 TIP3 H1 25.1462078800 10.6005507964 1.1980960785 SOLV 345 0.0000000000
|
|
1254 546 TIP3 H2 25.3867858671 11.7495662515 0.2616518051 SOLV 345 0.0000000000
|
|
1255 547 TIP3 OH2 26.7150380338 11.3840368610 17.5508370004 SOLV 346 0.0000000000
|
|
1256 547 TIP3 H1 26.7864608000 11.6931694814 16.6294073176 SOLV 346 0.0000000000
|
|
1257 547 TIP3 H2 26.9215204123 10.4181590140 17.4530734877 SOLV 346 0.0000000000
|
|
1258 548 TIP3 OH2 30.2204178921 12.2245170005 0.3324154899 SOLV 347 0.0000000000
|
|
1259 548 TIP3 H1 29.9923536729 12.3347272826 1.2868708240 SOLV 347 0.0000000000
|
|
1260 548 TIP3 H2 30.9963130446 11.6424586366 0.4000073205 SOLV 347 0.0000000000
|
|
1261 549 TIP3 OH2 32.2426315055 11.4248181998 15.2335661756 SOLV 348 0.0000000000
|
|
1262 549 TIP3 H1 33.1840490491 11.7298378288 15.1994711682 SOLV 348 0.0000000000
|
|
1263 549 TIP3 H2 31.8368959254 12.3100216753 15.2392447221 SOLV 348 0.0000000000
|
|
1264 550 TIP3 OH2 21.0471577108 8.7811256415 18.0135194392 SOLV 349 0.0000000000
|
|
1265 550 TIP3 H1 21.9704023290 8.7735466197 17.7399858326 SOLV 349 0.0000000000
|
|
1266 550 TIP3 H2 21.1250807299 8.9010444899 18.9957596908 SOLV 349 0.0000000000
|
|
1267 551 TIP3 OH2 25.7859062881 9.8361788549 2.6849177057 SOLV 350 0.0000000000
|
|
1268 551 TIP3 H1 25.1874728774 9.3586365707 3.2893735074 SOLV 350 0.0000000000
|
|
1269 551 TIP3 H2 26.2886272365 9.0895328376 2.2669133972 SOLV 350 0.0000000000
|
|
1270 552 TIP3 OH2 25.3412194865 7.7082344130 15.3662850920 SOLV 351 0.0000000000
|
|
1271 552 TIP3 H1 24.5673829502 8.3082543897 15.4129716082 SOLV 351 0.0000000000
|
|
1272 552 TIP3 H2 25.7717125602 8.0899687735 14.5652121322 SOLV 351 0.0000000000
|
|
1273 553 TIP3 OH2 27.1128984778 7.8827525567 1.3833321272 SOLV 352 0.0000000000
|
|
1274 553 TIP3 H1 26.8155469079 7.4785956638 0.5610727009 SOLV 352 0.0000000000
|
|
1275 553 TIP3 H2 28.0898322300 7.7755773203 1.2975060421 SOLV 352 0.0000000000
|
|
1276 554 TIP3 OH2 30.3489413008 10.2115987113 18.2955087076 SOLV 353 0.0000000000
|
|
1277 554 TIP3 H1 30.8806858748 9.7585098524 17.6203759895 SOLV 353 0.0000000000
|
|
1278 554 TIP3 H2 30.0065408809 9.4642782441 18.8252171758 SOLV 353 0.0000000000
|
|
1279 555 TIP3 OH2 35.7705082224 9.9673610708 50.4289309492 SOLV 354 0.0000000000
|
|
1280 555 TIP3 H1 36.1507355104 9.6672987108 49.5822555814 SOLV 354 0.0000000000
|
|
1281 555 TIP3 H2 36.1530446101 10.8594622423 50.4566039456 SOLV 354 0.0000000000
|
|
1282 556 TIP3 OH2 25.3599037806 5.1502383499 16.0969404607 SOLV 355 0.0000000000
|
|
1283 556 TIP3 H1 25.6568075707 4.6702127907 15.2877118391 SOLV 355 0.0000000000
|
|
1284 556 TIP3 H2 25.2987346762 6.0736790550 15.7516238371 SOLV 355 0.0000000000
|
|
1285 557 TIP3 OH2 26.0185372382 3.7929377431 13.7912536496 SOLV 356 0.0000000000
|
|
1286 557 TIP3 H1 26.6009952010 4.1897662644 13.1007393403 SOLV 356 0.0000000000
|
|
1287 557 TIP3 H2 25.1769454303 3.7340323825 13.2890166445 SOLV 356 0.0000000000
|
|
1288 558 TIP3 OH2 26.9222495235 8.9183751064 13.6300242594 SOLV 357 0.0000000000
|
|
1289 558 TIP3 H1 27.8625817162 9.0753421477 13.7816564800 SOLV 357 0.0000000000
|
|
1290 558 TIP3 H2 26.6018438727 9.8065562817 13.3620058032 SOLV 357 0.0000000000
|
|
1291 559 TIP3 OH2 31.5268772631 6.5955685880 18.6816793056 SOLV 358 0.0000000000
|
|
1292 559 TIP3 H1 31.6102920640 5.6922859396 18.3356430429 SOLV 358 0.0000000000
|
|
1293 559 TIP3 H2 32.3719550192 6.9930700775 18.4023536792 SOLV 358 0.0000000000
|
|
1294 560 TIP3 OH2 33.1600699159 9.4982915848 16.9717479489 SOLV 359 0.0000000000
|
|
1295 560 TIP3 H1 32.8797692519 10.2750875528 16.4326466274 SOLV 359 0.0000000000
|
|
1296 560 TIP3 H2 34.1236005125 9.5521767390 16.8925419583 SOLV 359 0.0000000000
|
|
1297 561 TIP3 OH2 23.9952900312 5.9082780348 18.3149133273 SOLV 360 0.0000000000
|
|
1298 561 TIP3 H1 23.1342870041 5.4359101823 18.2086581737 SOLV 360 0.0000000000
|
|
1299 561 TIP3 H2 24.4497736743 5.6593249444 17.4865408556 SOLV 360 0.0000000000
|
|
1300 562 TIP3 OH2 26.7584241261 1.1648503686 14.0265744206 SOLV 361 0.0000000000
|
|
1301 562 TIP3 H1 26.4977449403 2.1186295206 14.1500952339 SOLV 361 0.0000000000
|
|
1302 562 TIP3 H2 26.0356370750 0.8840164059 13.4549762999 SOLV 361 0.0000000000
|
|
1303 563 TIP3 OH2 27.7897756189 5.1517190944 17.7087195752 SOLV 362 0.0000000000
|
|
1304 563 TIP3 H1 27.4374540475 4.6185290533 18.4390951930 SOLV 362 0.0000000000
|
|
1305 563 TIP3 H2 27.1022146339 5.0326515490 17.0236255677 SOLV 362 0.0000000000
|
|
1306 564 TIP3 OH2 30.7714731329 4.3166104025 17.1381618917 SOLV 363 0.0000000000
|
|
1307 564 TIP3 H1 29.8032248922 4.2437684805 17.1539707108 SOLV 363 0.0000000000
|
|
1308 564 TIP3 H2 31.0348691372 3.6197017038 17.7791320592 SOLV 363 0.0000000000
|
|
1309 565 TIP3 OH2 32.0060980426 2.6426166801 18.9938434272 SOLV 364 0.0000000000
|
|
1310 565 TIP3 H1 31.6380330324 1.7593764220 19.1391579071 SOLV 364 0.0000000000
|
|
1311 565 TIP3 H2 31.8492466468 3.0667850678 19.8670852747 SOLV 364 0.0000000000
|
|
1312 566 TIP3 OH2 21.9097954246 4.1327024168 18.2729333588 SOLV 365 0.0000000000
|
|
1313 566 TIP3 H1 21.9559196224 3.3828180033 17.6362591747 SOLV 365 0.0000000000
|
|
1314 566 TIP3 H2 21.8070688178 3.6624457731 19.1347174542 SOLV 365 0.0000000000
|
|
1315 567 TIP3 OH2 27.5288878459 0.4634378955 16.6411638607 SOLV 366 0.0000000000
|
|
1316 567 TIP3 H1 26.9546993962 -0.3026849308 16.8707456100 SOLV 366 0.0000000000
|
|
1317 567 TIP3 H2 27.1769519847 0.7289804737 15.7666984204 SOLV 366 0.0000000000
|
|
1318 568 TIP3 OH2 27.5313738726 2.0947558956 18.9282092539 SOLV 367 0.0000000000
|
|
1319 568 TIP3 H1 27.5313182485 1.3575089212 18.2840112544 SOLV 367 0.0000000000
|
|
1320 568 TIP3 H2 26.6480216708 2.4872946727 18.7962846399 SOLV 367 0.0000000000
|
|
1321 569 TIP3 OH2 26.4908612690 18.4467476849 2.3728321500 SOLV 368 0.0000000000
|
|
1322 569 TIP3 H1 27.4648802288 18.5171126936 2.3335693945 SOLV 368 0.0000000000
|
|
1323 569 TIP3 H2 26.2221082185 19.0775160354 1.7031767685 SOLV 368 0.0000000000
|
|
1324 570 TIP3 OH2 20.3452784701 13.6186926097 1.5547502919 SOLV 369 0.0000000000
|
|
1325 570 TIP3 H1 21.3190201707 13.4825396006 1.6221445267 SOLV 369 0.0000000000
|
|
1326 570 TIP3 H2 20.1199361572 12.9682903875 0.8551757880 SOLV 369 0.0000000000
|
|
1327 571 TIP3 OH2 19.3094862383 18.4163556314 6.5949042860 SOLV 370 0.0000000000
|
|
1328 571 TIP3 H1 18.6181159916 18.0161284758 6.0293110408 SOLV 370 0.0000000000
|
|
1329 571 TIP3 H2 19.4664098832 17.6869806178 7.2381448679 SOLV 370 0.0000000000
|
|
1330 572 TIP3 OH2 19.9027423736 16.4306793700 8.3970198107 SOLV 371 0.0000000000
|
|
1331 572 TIP3 H1 19.3893193449 15.7269254673 8.8381116153 SOLV 371 0.0000000000
|
|
1332 572 TIP3 H2 20.4097203893 16.8335886378 9.1371210748 SOLV 371 0.0000000000
|
|
1333 573 TIP3 OH2 37.1295529564 17.6086762183 11.2611407589 SOLV 372 0.0000000000
|
|
1334 573 TIP3 H1 37.4997292526 17.4224539100 12.1485933588 SOLV 372 0.0000000000
|
|
1335 573 TIP3 H2 37.9773297511 17.6466600659 10.7908534253 SOLV 372 0.0000000000
|
|
1336 574 TIP3 OH2 36.4960380358 16.9931112300 14.3259166779 SOLV 373 0.0000000000
|
|
1337 574 TIP3 H1 36.1740723142 16.0767837041 14.2126742898 SOLV 373 0.0000000000
|
|
1338 574 TIP3 H2 37.4432023679 16.8078076585 14.1482822264 SOLV 373 0.0000000000
|
|
1339 575 TIP3 OH2 35.4439004477 12.7483502933 19.3267734866 SOLV 374 0.0000000000
|
|
1340 575 TIP3 H1 34.5520911061 12.8252543857 19.7363718776 SOLV 374 0.0000000000
|
|
1341 575 TIP3 H2 35.8801823055 13.5451304690 19.6927890135 SOLV 374 0.0000000000
|
|
1342 576 TIP3 OH2 36.7006645955 11.3877137592 4.3840494313 SOLV 375 0.0000000000
|
|
1343 576 TIP3 H1 37.5153709498 11.8810825050 4.5862189568 SOLV 375 0.0000000000
|
|
1344 576 TIP3 H2 36.7317990927 10.6709199489 5.0516737920 SOLV 375 0.0000000000
|
|
1345 577 TIP3 OH2 37.3420573917 9.1452964985 6.3157661165 SOLV 376 0.0000000000
|
|
1346 577 TIP3 H1 36.4950315012 8.6736089516 6.4850510581 SOLV 376 0.0000000000
|
|
1347 577 TIP3 H2 37.7866997678 9.1418131361 7.1874104742 SOLV 376 0.0000000000
|
|
1348 578 TIP3 OH2 37.1027682609 12.1329311477 11.5322837672 SOLV 377 0.0000000000
|
|
1349 578 TIP3 H1 37.7040804156 11.4655668198 11.1310662730 SOLV 377 0.0000000000
|
|
1350 578 TIP3 H2 37.5433778474 12.9626903218 11.2840245266 SOLV 377 0.0000000000
|
|
1351 579 TIP3 OH2 35.2945512444 14.7295691423 13.6132639849 SOLV 378 0.0000000000
|
|
1352 579 TIP3 H1 34.5398255043 15.2434719539 13.9645901347 SOLV 378 0.0000000000
|
|
1353 579 TIP3 H2 35.0194887097 14.5813789957 12.6898205768 SOLV 378 0.0000000000
|
|
1354 580 TIP3 OH2 37.2984176892 9.1935518851 2.6348843622 SOLV 379 0.0000000000
|
|
1355 580 TIP3 H1 36.6044607700 9.2920157007 1.9477150279 SOLV 379 0.0000000000
|
|
1356 580 TIP3 H2 37.1595933455 10.0095817182 3.1557305967 SOLV 379 0.0000000000
|
|
1357 581 TIP3 OH2 35.7525599512 6.3570496087 1.2455337389 SOLV 380 0.0000000000
|
|
1358 581 TIP3 H1 35.1453291061 6.9251354684 0.7589504172 SOLV 380 0.0000000000
|
|
1359 581 TIP3 H2 35.5343789383 5.4767784239 0.8823403488 SOLV 380 0.0000000000
|
|
1360 582 TIP3 OH2 34.9158629518 8.0775893493 6.9281636166 SOLV 381 0.0000000000
|
|
1361 582 TIP3 H1 34.7118496434 7.2189479680 6.5242248120 SOLV 381 0.0000000000
|
|
1362 582 TIP3 H2 34.5078431242 7.9587207839 7.8147043726 SOLV 381 0.0000000000
|
|
1363 583 TIP3 OH2 19.8260617576 9.9478367479 11.1279714379 SOLV 382 0.0000000000
|
|
1364 583 TIP3 H1 19.7610644661 9.6423452899 10.1937938014 SOLV 382 0.0000000000
|
|
1365 583 TIP3 H2 20.6450416779 9.4686256624 11.4027753693 SOLV 382 0.0000000000
|
|
1366 584 TIP3 OH2 35.9179157886 9.6964686226 16.8917731828 SOLV 383 0.0000000000
|
|
1367 584 TIP3 H1 36.3933720270 8.8623626947 16.6604060845 SOLV 383 0.0000000000
|
|
1368 584 TIP3 H2 36.5244111902 10.4293975051 16.6711473963 SOLV 383 0.0000000000
|
|
1369 585 TIP3 OH2 37.0240155679 7.3310027730 16.3687136442 SOLV 384 0.0000000000
|
|
1370 585 TIP3 H1 36.1540467724 6.9454815428 16.6243655275 SOLV 384 0.0000000000
|
|
1371 585 TIP3 H2 37.6188534699 6.5728015795 16.5435543063 SOLV 384 0.0000000000
|
|
1372 586 TIP3 OH2 34.6171109635 4.0914432813 0.3360570685 SOLV 385 0.0000000000
|
|
1373 586 TIP3 H1 35.1633252607 3.3127549737 0.5592904705 SOLV 385 0.0000000000
|
|
1374 586 TIP3 H2 33.7140142559 3.7739250624 0.4843489535 SOLV 385 0.0000000000
|
|
1375 587 TIP3 OH2 34.8143046663 5.7492903010 5.2319667624 SOLV 386 0.0000000000
|
|
1376 587 TIP3 H1 35.0812196369 4.8096181969 5.2976434796 SOLV 386 0.0000000000
|
|
1377 587 TIP3 H2 35.5376590741 6.0796114199 4.6546211331 SOLV 386 0.0000000000
|
|
1378 588 TIP3 OH2 34.9698429484 5.8560233777 10.7380021842 SOLV 387 0.0000000000
|
|
1379 588 TIP3 H1 35.9121522722 5.8710048424 10.4620437431 SOLV 387 0.0000000000
|
|
1380 588 TIP3 H2 35.0781384777 6.0365365144 11.7006641777 SOLV 387 0.0000000000
|
|
1381 589 TIP3 OH2 35.2360838334 6.6984170060 13.3069414659 SOLV 388 0.0000000000
|
|
1382 589 TIP3 H1 34.3739811665 7.0577019561 13.5825668668 SOLV 388 0.0000000000
|
|
1383 589 TIP3 H2 35.7381064886 7.5364700567 13.1190724867 SOLV 388 0.0000000000
|
|
1384 590 TIP3 OH2 19.4577672109 4.9355345863 17.1317415432 SOLV 389 0.0000000000
|
|
1385 590 TIP3 H1 20.3248377615 4.7371773588 17.5328348670 SOLV 389 0.0000000000
|
|
1386 590 TIP3 H2 19.0387220455 4.0497781620 17.0966465155 SOLV 389 0.0000000000
|
|
1387 591 TIP3 OH2 37.7495287508 0.9192562886 18.9146057766 SOLV 390 0.0000000000
|
|
1388 591 TIP3 H1 38.4634055344 0.3313272225 18.6036260581 SOLV 390 0.0000000000
|
|
1389 591 TIP3 H2 37.5537542674 1.4309864569 18.1024787500 SOLV 390 0.0000000000
|
|
1390 592 TIP3 OH2 35.4911033470 3.0913763691 5.4379197652 SOLV 391 0.0000000000
|
|
1391 592 TIP3 H1 35.6515470494 2.4364585672 6.1544197990 SOLV 391 0.0000000000
|
|
1392 592 TIP3 H2 34.8247845358 2.6024948218 4.9051142011 SOLV 391 0.0000000000
|
|
1393 593 TIP3 OH2 20.8456195372 3.1876430501 9.6894441748 SOLV 392 0.0000000000
|
|
1394 593 TIP3 H1 21.3140661976 2.3833719310 10.0039916403 SOLV 392 0.0000000000
|
|
1395 593 TIP3 H2 21.4449329761 3.8747059100 10.0036363977 SOLV 392 0.0000000000
|
|
1396 594 TIP3 OH2 18.8676273820 6.3018129094 10.4739657232 SOLV 393 0.0000000000
|
|
1397 594 TIP3 H1 19.6501997222 6.4532278112 9.9027808820 SOLV 393 0.0000000000
|
|
1398 594 TIP3 H2 19.1310013856 6.7476288517 11.2682356926 SOLV 393 0.0000000000
|
|
1399 595 TIP3 OH2 37.1377675045 2.3811751024 16.6865591518 SOLV 394 0.0000000000
|
|
1400 595 TIP3 H1 36.2299998941 2.7441990194 16.6949295576 SOLV 394 0.0000000000
|
|
1401 595 TIP3 H2 37.2397762394 2.1974505234 15.7362015521 SOLV 394 0.0000000000
|
|
1402 596 TIP3 OH2 36.9716034489 2.8534836657 1.5805579287 SOLV 395 0.0000000000
|
|
1403 596 TIP3 H1 37.3110734498 2.9543714509 0.6605532526 SOLV 395 0.0000000000
|
|
1404 596 TIP3 H2 37.5170193566 3.5013829684 2.0663910040 SOLV 395 0.0000000000
|
|
1405 597 TIP3 OH2 19.4594758267 2.6140817315 4.8983849366 SOLV 396 0.0000000000
|
|
1406 597 TIP3 H1 18.5061753254 2.8017912480 4.9902630987 SOLV 396 0.0000000000
|
|
1407 597 TIP3 H2 19.6622660698 3.2105549649 4.1503118429 SOLV 396 0.0000000000
|
|
1408 598 TIP3 OH2 34.3533160377 17.4619376688 6.9310411446 SOLV 397 0.0000000000
|
|
1409 598 TIP3 H1 35.1274833949 17.5733557283 6.3520710192 SOLV 397 0.0000000000
|
|
1410 598 TIP3 H2 34.5064944908 18.0704564537 7.6816489401 SOLV 397 0.0000000000
|
|
1411 599 TIP3 OH2 19.3003912511 1.9294614687 13.9738065097 SOLV 398 0.0000000000
|
|
1412 599 TIP3 H1 19.5534541106 0.9909310750 13.8798305929 SOLV 398 0.0000000000
|
|
1413 599 TIP3 H2 18.9118909376 2.1444446159 13.1084282730 SOLV 398 0.0000000000
|
|
1414 600 TIP3 OH2 21.6349370052 14.7097141747 17.2977727851 SOLV 399 0.0000000000
|
|
1415 600 TIP3 H1 20.7485775451 14.8399034331 16.9363770020 SOLV 399 0.0000000000
|
|
1416 600 TIP3 H2 21.4174248545 14.5725994318 18.2282372126 SOLV 399 0.0000000000
|
|
1417 601 TIP3 OH2 24.7139720392 15.9980231488 14.1016590304 SOLV 400 0.0000000000
|
|
1418 601 TIP3 H1 24.5828911502 16.9194249251 13.7689707538 SOLV 400 0.0000000000
|
|
1419 601 TIP3 H2 25.5912867131 15.8611936684 13.6977200264 SOLV 400 0.0000000000
|
|
1420 602 TIP3 OH2 28.8977947947 16.6806905783 16.7933248478 SOLV 401 0.0000000000
|
|
1421 602 TIP3 H1 29.2114516992 16.5989711900 17.7049776471 SOLV 401 0.0000000000
|
|
1422 602 TIP3 H2 29.6005260267 17.2807614144 16.4414642018 SOLV 401 0.0000000000
|
|
1423 603 TIP3 OH2 30.8769855535 18.4689435819 16.1212272942 SOLV 402 0.0000000000
|
|
1424 603 TIP3 H1 31.6284115400 18.2001038156 15.5731706611 SOLV 402 0.0000000000
|
|
1425 603 TIP3 H2 31.3081526773 18.7435432955 16.9565928647 SOLV 402 0.0000000000
|
|
1426 604 TIP3 OH2 35.0393267129 0.5045033101 14.5501147747 SOLV 403 0.0000000000
|
|
1427 604 TIP3 H1 34.6361800596 1.2535340852 14.0716735572 SOLV 403 0.0000000000
|
|
1428 604 TIP3 H2 34.9484712811 -0.2261864328 13.9057645558 SOLV 403 0.0000000000
|
|
1429 605 TIP3 OH2 21.6511904377 18.6767889059 13.7316924632 SOLV 404 0.0000000000
|
|
1430 605 TIP3 H1 20.8448632587 19.1107365232 13.3801730454 SOLV 404 0.0000000000
|
|
1431 605 TIP3 H2 21.7478279908 19.1739871494 14.5589079256 SOLV 404 0.0000000000
|
|
1432 606 TIP3 OH2 24.2640011069 18.3786264669 13.0058132430 SOLV 405 0.0000000000
|
|
1433 606 TIP3 H1 23.3071902083 18.5005767153 13.1951652680 SOLV 405 0.0000000000
|
|
1434 606 TIP3 H2 24.3999795380 18.9955588685 12.2587820877 SOLV 405 0.0000000000
|
|
1435 607 TIP3 OH2 28.8730210340 18.1578822438 11.7865844996 SOLV 406 0.0000000000
|
|
1436 607 TIP3 H1 28.2658272278 18.6914747065 11.2309575676 SOLV 406 0.0000000000
|
|
1437 607 TIP3 H2 29.0256269811 18.7567787925 12.5573414537 SOLV 406 0.0000000000
|
|
1438 608 TIP3 OH2 31.1749268474 16.8237120977 13.1795853258 SOLV 407 0.0000000000
|
|
1439 608 TIP3 H1 30.5083658656 17.1752664928 12.5578791886 SOLV 407 0.0000000000
|
|
1440 608 TIP3 H2 31.8624543986 17.4956769106 13.0410627616 SOLV 407 0.0000000000
|
|
1441 609 TIP3 OH2 33.3052399681 18.5291791386 12.8158379454 SOLV 408 0.0000000000
|
|
1442 609 TIP3 H1 33.7332193789 19.3973344732 12.9100974740 SOLV 408 0.0000000000
|
|
1443 609 TIP3 H2 33.8129229546 18.1349340615 12.0744259272 SOLV 408 0.0000000000
|
|
1444 610 TIP3 OH2 21.3689795295 17.2999375454 10.5152456121 SOLV 409 0.0000000000
|
|
1445 610 TIP3 H1 21.1663885537 16.8511666118 11.3578216554 SOLV 409 0.0000000000
|
|
1446 610 TIP3 H2 22.2379711357 16.8927396569 10.3029828716 SOLV 409 0.0000000000
|
|
1447 611 TIP3 OH2 23.5029598495 16.0071326352 9.4952128736 SOLV 410 0.0000000000
|
|
1448 611 TIP3 H1 23.4641601645 15.0735666845 9.8029947465 SOLV 410 0.0000000000
|
|
1449 611 TIP3 H2 24.4356544284 16.1874344265 9.7595067612 SOLV 410 0.0000000000
|
|
1450 612 TIP3 OH2 25.9479448366 16.2364808557 10.3051403912 SOLV 411 0.0000000000
|
|
1451 612 TIP3 H1 26.0889735880 15.2711289274 10.1948678699 SOLV 411 0.0000000000
|
|
1452 612 TIP3 H2 26.2642842393 16.3487543988 11.2268018307 SOLV 411 0.0000000000
|
|
1453 613 TIP3 OH2 29.2666356099 2.6985373435 9.5337881967 SOLV 412 0.0000000000
|
|
1454 613 TIP3 H1 28.5155525914 2.0764782863 9.6826703221 SOLV 412 0.0000000000
|
|
1455 613 TIP3 H2 29.9009033154 2.0873273679 9.0791267811 SOLV 412 0.0000000000
|
|
1456 614 TIP3 OH2 34.9287691469 1.1422918444 9.5190637079 SOLV 413 0.0000000000
|
|
1457 614 TIP3 H1 35.6275506400 1.1950822832 8.8275650630 SOLV 413 0.0000000000
|
|
1458 614 TIP3 H2 34.6730428677 2.0798762005 9.6088871297 SOLV 413 0.0000000000
|
|
1459 615 TIP3 OH2 36.6146426969 1.3524390376 7.2663233653 SOLV 414 0.0000000000
|
|
1460 615 TIP3 H1 37.4017296953 0.8723696626 6.9795714907 SOLV 414 0.0000000000
|
|
1461 615 TIP3 H2 37.0376963238 2.2344444983 7.4297073798 SOLV 414 0.0000000000
|
|
1462 616 TIP3 OH2 21.8620106160 0.6876249707 6.9781662476 SOLV 415 0.0000000000
|
|
1463 616 TIP3 H1 21.4132225900 0.9413596470 6.1513454679 SOLV 415 0.0000000000
|
|
1464 616 TIP3 H2 22.4152145927 -0.0423395085 6.6889515056 SOLV 415 0.0000000000
|
|
1465 617 TIP3 OH2 21.0141264533 0.6979463024 3.7322245934 SOLV 416 0.0000000000
|
|
1466 617 TIP3 H1 21.4709347478 1.1806580513 3.0205567298 SOLV 416 0.0000000000
|
|
1467 617 TIP3 H2 20.3190795577 1.3314502656 3.9949944167 SOLV 416 0.0000000000
|
|
1468 618 TIP3 OH2 26.3140952802 1.5250579383 6.8359424234 SOLV 417 0.0000000000
|
|
1469 618 TIP3 H1 27.2228347890 1.7500669142 6.5406054959 SOLV 417 0.0000000000
|
|
1470 618 TIP3 H2 26.3997154050 1.6339915188 7.7929894028 SOLV 417 0.0000000000
|
|
1471 619 TIP3 OH2 31.2250654050 1.1401467899 8.1909154667 SOLV 418 0.0000000000
|
|
1472 619 TIP3 H1 31.3004688685 1.1972017407 7.2258563298 SOLV 418 0.0000000000
|
|
1473 619 TIP3 H2 31.8826939736 0.4417030019 8.4042494717 SOLV 418 0.0000000000
|
|
1474 620 TIP3 OH2 33.4783650632 1.5432630178 4.0065321603 SOLV 419 0.0000000000
|
|
1475 620 TIP3 H1 32.5497482355 1.7626816981 4.0967954161 SOLV 419 0.0000000000
|
|
1476 620 TIP3 H2 33.4402825679 0.5518977261 4.0857167329 SOLV 419 0.0000000000
|
|
1477 621 TIP3 OH2 20.5688358234 16.6522467062 3.7910714751 SOLV 420 0.0000000000
|
|
1478 621 TIP3 H1 19.7582609504 16.5980468517 3.2514834851 SOLV 420 0.0000000000
|
|
1479 621 TIP3 H2 20.7597957178 17.6080302241 3.7142948655 SOLV 420 0.0000000000
|
|
1480 622 TIP3 OH2 23.0606390272 1.8100772673 2.0007928574 SOLV 421 0.0000000000
|
|
1481 622 TIP3 H1 23.0286211012 2.1536155706 1.0999025755 SOLV 421 0.0000000000
|
|
1482 622 TIP3 H2 23.7209434554 2.4022130164 2.4176277811 SOLV 421 0.0000000000
|
|
1483 623 TIP3 OH2 27.6520606528 2.9487443133 3.7862798054 SOLV 422 0.0000000000
|
|
1484 623 TIP3 H1 27.8641928200 2.3163864330 4.4876460282 SOLV 422 0.0000000000
|
|
1485 623 TIP3 H2 27.8287325762 3.7645621275 4.3166559625 SOLV 422 0.0000000000
|
|
1486 624 TIP3 OH2 29.3952403752 18.2440050494 2.1990667528 SOLV 423 0.0000000000
|
|
1487 624 TIP3 H1 30.3773113645 18.1111856451 2.1426136760 SOLV 423 0.0000000000
|
|
1488 624 TIP3 H2 29.1112215557 17.5156721447 1.6030341740 SOLV 423 0.0000000000
|
|
1489 625 TIP3 OH2 36.2450943866 17.4392895118 5.0416528781 SOLV 424 0.0000000000
|
|
1490 625 TIP3 H1 35.9354015759 16.5895560666 4.6262024384 SOLV 424 0.0000000000
|
|
1491 625 TIP3 H2 36.0013117992 18.0844515359 4.3382707898 SOLV 424 0.0000000000
|
|
1492 626 TIP3 OH2 21.7776852061 2.0458176609 16.5425605556 SOLV 425 0.0000000000
|
|
1493 626 TIP3 H1 21.2386307104 1.3607251895 16.1138496223 SOLV 425 0.0000000000
|
|
1494 626 TIP3 H2 22.5251111528 1.5494062233 16.9330856824 SOLV 425 0.0000000000
|
|
1495 627 TIP3 OH2 23.9253097821 1.2885761326 18.4101367629 SOLV 426 0.0000000000
|
|
1496 627 TIP3 H1 24.4641172083 2.0945584876 18.5768813892 SOLV 426 0.0000000000
|
|
1497 627 TIP3 H2 24.3933322655 0.6209939919 18.9612337929 SOLV 426 0.0000000000
|
|
1498 628 TIP3 OH2 21.9642066073 17.3915040470 0.9139307070 SOLV 427 0.0000000000
|
|
1499 628 TIP3 H1 21.6260949882 17.8312037246 1.7017275886 SOLV 427 0.0000000000
|
|
1500 628 TIP3 H2 22.7414662140 16.9764040373 1.3041821000 SOLV 427 0.0000000000
|
|
1501 629 TIP3 OH2 32.3503517151 49.3282930533 18.8639950728 SOLV 428 0.0000000000
|
|
1502 629 TIP3 H1 32.8427511614 49.7290447269 19.5956098471 SOLV 428 0.0000000000
|
|
1503 629 TIP3 H2 32.5403234819 49.9387678217 18.1354416259 SOLV 428 0.0000000000
|
|
1504 630 TIP3 OH2 34.8938052567 16.1680934018 17.0474824073 SOLV 429 0.0000000000
|
|
1505 630 TIP3 H1 34.5322066521 16.2119237484 16.1328846039 SOLV 429 0.0000000000
|
|
1506 630 TIP3 H2 35.0791099725 17.1208975408 17.1621336344 SOLV 429 0.0000000000
|
|
1507 631 TIP3 OH2 49.6495022596 9.4206373193 6.8635579402 SOLV 430 0.0000000000
|
|
1508 631 TIP3 H1 49.6948721176 10.3860110189 6.9994655890 SOLV 430 0.0000000000
|
|
1509 631 TIP3 H2 48.9978638491 9.3635647415 6.1457989141 SOLV 430 0.0000000000
|
|
1510 632 TIP3 OH2 47.9226404706 9.6671942837 10.7278946083 SOLV 431 0.0000000000
|
|
1511 632 TIP3 H1 48.8974519343 9.6004547838 10.7723701237 SOLV 431 0.0000000000
|
|
1512 632 TIP3 H2 47.6831440842 8.8654332763 10.2316284593 SOLV 431 0.0000000000
|
|
1513 633 TIP3 OH2 40.5984481147 8.6480376836 12.1055103217 SOLV 432 0.0000000000
|
|
1514 633 TIP3 H1 40.7268202895 7.9256368283 12.7485965133 SOLV 432 0.0000000000
|
|
1515 633 TIP3 H2 41.3944452789 9.1685979296 12.2599179093 SOLV 432 0.0000000000
|
|
1516 634 TIP3 OH2 42.0153522701 13.4758159394 9.9721078684 SOLV 433 0.0000000000
|
|
1517 634 TIP3 H1 41.6852147210 12.5651873812 9.9174946896 SOLV 433 0.0000000000
|
|
1518 634 TIP3 H2 42.9752356573 13.3234455412 10.0408515747 SOLV 433 0.0000000000
|
|
1519 635 TIP3 OH2 38.5934696484 6.7057988177 5.9064073792 SOLV 434 0.0000000000
|
|
1520 635 TIP3 H1 38.4971903054 7.6701057457 6.0156456123 SOLV 434 0.0000000000
|
|
1521 635 TIP3 H2 38.0190514147 6.5517702775 5.1429492111 SOLV 434 0.0000000000
|
|
1522 636 TIP3 OH2 39.2524547410 9.1852894456 8.4498630860 SOLV 435 0.0000000000
|
|
1523 636 TIP3 H1 39.6763213992 8.3239918140 8.6329268125 SOLV 435 0.0000000000
|
|
1524 636 TIP3 H2 39.9966702116 9.8036366060 8.4788224794 SOLV 435 0.0000000000
|
|
1525 637 TIP3 OH2 48.3935803652 17.3887444217 8.8637648608 SOLV 436 0.0000000000
|
|
1526 637 TIP3 H1 49.3403366252 17.2105731932 9.0139897103 SOLV 436 0.0000000000
|
|
1527 637 TIP3 H2 47.9906844056 17.3395618802 9.7540255417 SOLV 436 0.0000000000
|
|
1528 638 TIP3 OH2 46.8774692124 12.1660109467 10.8642699148 SOLV 437 0.0000000000
|
|
1529 638 TIP3 H1 47.1932308248 11.2766837094 10.6058396994 SOLV 437 0.0000000000
|
|
1530 638 TIP3 H2 47.7156410934 12.5585176623 11.1427292279 SOLV 437 0.0000000000
|
|
1531 639 TIP3 OH2 43.3727768071 4.1870962591 8.5250070276 SOLV 438 0.0000000000
|
|
1532 639 TIP3 H1 43.5560687213 4.9720824064 7.9539302343 SOLV 438 0.0000000000
|
|
1533 639 TIP3 H2 43.0019532583 3.5865503112 7.8377903278 SOLV 438 0.0000000000
|
|
1534 640 TIP3 OH2 39.9531359560 6.6970582950 9.2353172087 SOLV 439 0.0000000000
|
|
1535 640 TIP3 H1 40.5642178102 6.3360374466 9.9093451326 SOLV 439 0.0000000000
|
|
1536 640 TIP3 H2 40.1943470198 6.1752108193 8.4400726035 SOLV 439 0.0000000000
|
|
1537 641 TIP3 OH2 44.8956186911 8.1630959195 8.7880682049 SOLV 440 0.0000000000
|
|
1538 641 TIP3 H1 45.7326775352 7.6784863282 8.9624551461 SOLV 440 0.0000000000
|
|
1539 641 TIP3 H2 44.3927841714 7.4932767441 8.2763502159 SOLV 440 0.0000000000
|
|
1540 642 TIP3 OH2 42.4324043480 3.3351012959 12.6076848916 SOLV 441 0.0000000000
|
|
1541 642 TIP3 H1 42.0857357470 3.9439909997 11.9167523596 SOLV 441 0.0000000000
|
|
1542 642 TIP3 H2 41.7169934669 3.4174184243 13.2829652144 SOLV 441 0.0000000000
|
|
1543 643 TIP3 OH2 49.3846341639 12.2383528916 6.0906576643 SOLV 442 0.0000000000
|
|
1544 643 TIP3 H1 50.0381337647 12.4008519387 5.3786768472 SOLV 442 0.0000000000
|
|
1545 643 TIP3 H2 49.0533852044 13.1411374974 6.2510657015 SOLV 442 0.0000000000
|
|
1546 644 TIP3 OH2 44.7261424183 11.0297374022 12.0795094652 SOLV 443 0.0000000000
|
|
1547 644 TIP3 H1 44.3251071600 11.7331407426 12.6355753298 SOLV 443 0.0000000000
|
|
1548 644 TIP3 H2 45.4440202829 11.5213866744 11.6500099036 SOLV 443 0.0000000000
|
|
1549 645 TIP3 OH2 41.7232246115 5.1692010324 10.6060750591 SOLV 444 0.0000000000
|
|
1550 645 TIP3 H1 42.3362318068 5.7401363238 11.1233248570 SOLV 444 0.0000000000
|
|
1551 645 TIP3 H2 42.2839420049 4.9013236766 9.8385125160 SOLV 444 0.0000000000
|
|
1552 646 TIP3 OH2 43.3478167643 12.9583383185 13.4591199829 SOLV 445 0.0000000000
|
|
1553 646 TIP3 H1 43.1981640681 13.9080903438 13.3041499613 SOLV 445 0.0000000000
|
|
1554 646 TIP3 H2 42.4302396557 12.7366976642 13.7591035616 SOLV 445 0.0000000000
|
|
1555 647 TIP3 OH2 39.1005974650 12.6586120782 4.2494733743 SOLV 446 0.0000000000
|
|
1556 647 TIP3 H1 39.0884746545 13.1845377599 3.4287356791 SOLV 446 0.0000000000
|
|
1557 647 TIP3 H2 39.3346566981 13.3495633832 4.8886547106 SOLV 446 0.0000000000
|
|
1558 648 TIP3 OH2 45.6337604232 1.1074198648 9.6940644415 SOLV 447 0.0000000000
|
|
1559 648 TIP3 H1 46.0709972412 0.4261168005 10.2486903399 SOLV 447 0.0000000000
|
|
1560 648 TIP3 H2 44.7683888199 1.1385188491 10.1416438969 SOLV 447 0.0000000000
|
|
1561 649 TIP3 OH2 48.5857042655 9.5609977280 4.2776850085 SOLV 448 0.0000000000
|
|
1562 649 TIP3 H1 47.7671801896 10.0683762848 4.0560873316 SOLV 448 0.0000000000
|
|
1563 649 TIP3 H2 49.1627755262 10.3303597745 4.4089271510 SOLV 448 0.0000000000
|
|
1564 650 TIP3 OH2 48.3705291272 7.6351463902 1.1590237318 SOLV 449 0.0000000000
|
|
1565 650 TIP3 H1 48.8883479370 7.5398862174 1.9638448897 SOLV 449 0.0000000000
|
|
1566 650 TIP3 H2 48.9726193171 7.2391331454 0.5066105457 SOLV 449 0.0000000000
|
|
1567 651 TIP3 OH2 43.4085136501 10.0188712066 7.2710606392 SOLV 450 0.0000000000
|
|
1568 651 TIP3 H1 43.1262966741 9.6405302871 6.4022828052 SOLV 450 0.0000000000
|
|
1569 651 TIP3 H2 44.0407052489 9.3428924079 7.5973809204 SOLV 450 0.0000000000
|
|
1570 652 TIP3 OH2 44.8475893313 13.6845248545 9.7727204743 SOLV 451 0.0000000000
|
|
1571 652 TIP3 H1 45.0328774663 13.6929288779 8.8172877339 SOLV 451 0.0000000000
|
|
1572 652 TIP3 H2 45.6098154152 13.2074747909 10.1536231450 SOLV 451 0.0000000000
|
|
1573 653 TIP3 OH2 43.5594648571 8.9076536392 10.9955604826 SOLV 452 0.0000000000
|
|
1574 653 TIP3 H1 44.0260070146 8.7857488550 10.1388524321 SOLV 452 0.0000000000
|
|
1575 653 TIP3 H2 44.0713496302 9.6456318682 11.4154228601 SOLV 452 0.0000000000
|
|
1576 654 TIP3 OH2 44.8689551492 13.1202049787 15.7216013053 SOLV 453 0.0000000000
|
|
1577 654 TIP3 H1 44.2170585522 13.7273093608 16.1489822222 SOLV 453 0.0000000000
|
|
1578 654 TIP3 H2 44.4224342691 12.9701041567 14.8559078800 SOLV 453 0.0000000000
|
|
1579 655 TIP3 OH2 41.9519211022 9.0891903704 15.2704944818 SOLV 454 0.0000000000
|
|
1580 655 TIP3 H1 42.0445274533 9.9775175490 15.6719272663 SOLV 454 0.0000000000
|
|
1581 655 TIP3 H2 40.9830732403 9.0093003450 15.2686366724 SOLV 454 0.0000000000
|
|
1582 656 TIP3 OH2 48.9162035323 15.3101203586 6.4831177707 SOLV 455 0.0000000000
|
|
1583 656 TIP3 H1 48.6470446518 15.9260477329 7.1771559030 SOLV 455 0.0000000000
|
|
1584 656 TIP3 H2 48.6571695762 15.7763592685 5.6673990257 SOLV 455 0.0000000000
|
|
1585 657 TIP3 OH2 43.0196602507 14.8849706740 16.3924467671 SOLV 456 0.0000000000
|
|
1586 657 TIP3 H1 43.0149697030 15.3833604599 15.5464381505 SOLV 456 0.0000000000
|
|
1587 657 TIP3 H2 42.0563752659 14.7691674383 16.5488683411 SOLV 456 0.0000000000
|
|
1588 658 TIP3 OH2 42.6195774472 9.0973043739 4.8581590946 SOLV 457 0.0000000000
|
|
1589 658 TIP3 H1 42.0552949484 9.8518495295 4.5564598211 SOLV 457 0.0000000000
|
|
1590 658 TIP3 H2 42.1571337362 8.3325619536 4.4803380914 SOLV 457 0.0000000000
|
|
1591 659 TIP3 OH2 38.1755750238 11.4777701825 14.1228659937 SOLV 458 0.0000000000
|
|
1592 659 TIP3 H1 37.8325398437 11.8462381014 13.2921306356 SOLV 458 0.0000000000
|
|
1593 659 TIP3 H2 38.8285303179 10.8521485919 13.7660408765 SOLV 458 0.0000000000
|
|
1594 660 TIP3 OH2 38.6996209209 14.2069883836 10.8758964093 SOLV 459 0.0000000000
|
|
1595 660 TIP3 H1 39.6485633206 14.1201797291 10.7432776057 SOLV 459 0.0000000000
|
|
1596 660 TIP3 H2 38.6881388096 14.8808351810 11.5896384543 SOLV 459 0.0000000000
|
|
1597 661 TIP3 OH2 47.2056296441 14.4683278760 15.1827939862 SOLV 460 0.0000000000
|
|
1598 661 TIP3 H1 47.2058821328 15.3470117114 15.6057327099 SOLV 460 0.0000000000
|
|
1599 661 TIP3 H2 46.3158638659 14.0981988954 15.3943941450 SOLV 460 0.0000000000
|
|
1600 662 TIP3 OH2 48.4008461611 18.1074171992 4.9936986905 SOLV 461 0.0000000000
|
|
1601 662 TIP3 H1 47.8328295064 17.8670389988 4.2514110288 SOLV 461 0.0000000000
|
|
1602 662 TIP3 H2 48.0044940025 18.9455095174 5.3016011486 SOLV 461 0.0000000000
|
|
1603 663 TIP3 OH2 41.6625077068 16.9233538575 7.0438104036 SOLV 462 0.0000000000
|
|
1604 663 TIP3 H1 41.8680621512 16.6010692114 7.9528366916 SOLV 462 0.0000000000
|
|
1605 663 TIP3 H2 41.1542767408 16.1677063720 6.6911007636 SOLV 462 0.0000000000
|
|
1606 664 TIP3 OH2 40.8386420808 12.6121557992 14.6258441015 SOLV 463 0.0000000000
|
|
1607 664 TIP3 H1 40.8978406568 12.4035436238 15.5670526369 SOLV 463 0.0000000000
|
|
1608 664 TIP3 H2 39.8833483022 12.5237067933 14.4663241067 SOLV 463 0.0000000000
|
|
1609 665 TIP3 OH2 43.3977592716 1.0226110105 11.5030031574 SOLV 464 0.0000000000
|
|
1610 665 TIP3 H1 42.7318881322 0.9247800772 10.7900336050 SOLV 464 0.0000000000
|
|
1611 665 TIP3 H2 43.0952990217 1.8726540070 11.9029168887 SOLV 464 0.0000000000
|
|
1612 666 TIP3 OH2 48.0700753082 1.6211833861 14.2506228462 SOLV 465 0.0000000000
|
|
1613 666 TIP3 H1 48.3849152552 0.7193719698 14.4543286332 SOLV 465 0.0000000000
|
|
1614 666 TIP3 H2 47.1478277552 1.4188430194 13.9722363133 SOLV 465 0.0000000000
|
|
1615 667 TIP3 OH2 47.1255537699 3.6362872714 1.4050467128 SOLV 466 0.0000000000
|
|
1616 667 TIP3 H1 46.8257073862 3.3406141210 2.2915075698 SOLV 466 0.0000000000
|
|
1617 667 TIP3 H2 47.8917970670 3.0769107632 1.2373229408 SOLV 466 0.0000000000
|
|
1618 668 TIP3 OH2 43.4532546238 6.4492674250 12.0972231671 SOLV 467 0.0000000000
|
|
1619 668 TIP3 H1 42.7669157398 6.5183013777 12.7943788837 SOLV 467 0.0000000000
|
|
1620 668 TIP3 H2 43.4605885900 7.3676560946 11.7398756367 SOLV 467 0.0000000000
|
|
1621 669 TIP3 OH2 43.2808883036 6.5477289129 7.2920821013 SOLV 468 0.0000000000
|
|
1622 669 TIP3 H1 42.3234464280 6.3808674775 7.1765034500 SOLV 468 0.0000000000
|
|
1623 669 TIP3 H2 43.6113511100 6.3838310640 6.3892065997 SOLV 468 0.0000000000
|
|
1624 670 TIP3 OH2 48.3314506722 6.8862045273 5.0329864460 SOLV 469 0.0000000000
|
|
1625 670 TIP3 H1 48.1268148870 7.7470894881 4.6013371690 SOLV 469 0.0000000000
|
|
1626 670 TIP3 H2 49.2947330588 6.9791614479 5.2018504413 SOLV 469 0.0000000000
|
|
1627 671 TIP3 OH2 48.2944960932 7.0659641497 16.8462063190 SOLV 470 0.0000000000
|
|
1628 671 TIP3 H1 47.8741684370 6.2877400593 17.2661100010 SOLV 470 0.0000000000
|
|
1629 671 TIP3 H2 49.2201767916 6.9690256398 17.1265765354 SOLV 470 0.0000000000
|
|
1630 672 TIP3 OH2 41.3053859382 6.3727680753 13.7107989776 SOLV 471 0.0000000000
|
|
1631 672 TIP3 H1 41.3432996680 6.8878090961 14.5387330831 SOLV 471 0.0000000000
|
|
1632 672 TIP3 H2 40.7239661797 5.6252874886 13.9572764156 SOLV 471 0.0000000000
|
|
1633 673 TIP3 OH2 43.6295037502 3.8465076112 0.1247315403 SOLV 472 0.0000000000
|
|
1634 673 TIP3 H1 43.7292166030 3.6427307617 1.0803819713 SOLV 472 0.0000000000
|
|
1635 673 TIP3 H2 43.4209989152 4.8046823485 0.1790077510 SOLV 472 0.0000000000
|
|
1636 674 TIP3 OH2 38.0081826205 3.4948454155 7.8490593608 SOLV 473 0.0000000000
|
|
1637 674 TIP3 H1 38.6300018102 3.4759524204 8.6102597100 SOLV 473 0.0000000000
|
|
1638 674 TIP3 H2 38.3175107651 4.2732193503 7.3664052016 SOLV 473 0.0000000000
|
|
1639 675 TIP3 OH2 38.5079257113 4.5405223212 2.9890861585 SOLV 474 0.0000000000
|
|
1640 675 TIP3 H1 39.2926983293 4.9520052965 2.5852300226 SOLV 474 0.0000000000
|
|
1641 675 TIP3 H2 37.9870786122 5.3162606629 3.2752777670 SOLV 474 0.0000000000
|
|
1642 676 TIP3 OH2 49.1201652000 7.9507396291 13.3699543021 SOLV 475 0.0000000000
|
|
1643 676 TIP3 H1 49.4953267225 7.5155248708 12.5875320528 SOLV 475 0.0000000000
|
|
1644 676 TIP3 H2 48.5750761386 7.2293820769 13.7251973516 SOLV 475 0.0000000000
|
|
1645 677 TIP3 OH2 46.3958419919 4.5133338621 8.0621130486 SOLV 476 0.0000000000
|
|
1646 677 TIP3 H1 45.6283421053 4.1942289270 8.5574051280 SOLV 476 0.0000000000
|
|
1647 677 TIP3 H2 47.0734713902 3.8807757579 8.3599671123 SOLV 476 0.0000000000
|
|
1648 678 TIP3 OH2 40.7675518212 5.5107421290 6.9431371773 SOLV 477 0.0000000000
|
|
1649 678 TIP3 H1 40.0959533514 5.9279599427 6.3527676636 SOLV 477 0.0000000000
|
|
1650 678 TIP3 H2 41.1329689528 4.7937478274 6.3912522094 SOLV 477 0.0000000000
|
|
1651 679 TIP3 OH2 43.7706491674 5.5292464856 4.7588772602 SOLV 478 0.0000000000
|
|
1652 679 TIP3 H1 44.7402353023 5.3611057163 4.8628493347 SOLV 478 0.0000000000
|
|
1653 679 TIP3 H2 43.7626953207 6.1783765875 4.0297590513 SOLV 478 0.0000000000
|
|
1654 680 TIP3 OH2 43.3096426764 7.3801385066 2.5995603713 SOLV 479 0.0000000000
|
|
1655 680 TIP3 H1 42.9691209380 6.5975553926 2.1404844824 SOLV 479 0.0000000000
|
|
1656 680 TIP3 H2 44.1582093060 7.5448170796 2.1262028881 SOLV 479 0.0000000000
|
|
1657 681 TIP3 OH2 41.4663321041 11.2662875999 17.2012652117 SOLV 480 0.0000000000
|
|
1658 681 TIP3 H1 42.2202081926 11.3800962969 17.8056809767 SOLV 480 0.0000000000
|
|
1659 681 TIP3 H2 40.7216641929 11.5477129621 17.7658777689 SOLV 480 0.0000000000
|
|
1660 682 TIP3 OH2 47.2206400052 6.9647014327 9.8597553955 SOLV 481 0.0000000000
|
|
1661 682 TIP3 H1 48.0995059773 6.6113894119 10.0476076779 SOLV 481 0.0000000000
|
|
1662 682 TIP3 H2 46.6781385934 6.4455082893 10.4722629362 SOLV 481 0.0000000000
|
|
1663 683 TIP3 OH2 42.4226827769 2.8967240901 6.3196819874 SOLV 482 0.0000000000
|
|
1664 683 TIP3 H1 41.7239008467 2.2630052949 6.5596819154 SOLV 482 0.0000000000
|
|
1665 683 TIP3 H2 43.2142501075 2.3224478108 6.3457799590 SOLV 482 0.0000000000
|
|
1666 684 TIP3 OH2 45.9709146564 5.4820563905 12.0270729972 SOLV 483 0.0000000000
|
|
1667 684 TIP3 H1 45.0865895868 5.8820862950 12.1834707724 SOLV 483 0.0000000000
|
|
1668 684 TIP3 H2 46.4929424912 5.8619479325 12.7595077148 SOLV 483 0.0000000000
|
|
1669 685 TIP3 OH2 46.5163754057 11.2733507299 3.9234668146 SOLV 484 0.0000000000
|
|
1670 685 TIP3 H1 45.7536461184 10.9750878936 3.3898704824 SOLV 484 0.0000000000
|
|
1671 685 TIP3 H2 46.0536821452 11.6044213896 4.7280338297 SOLV 484 0.0000000000
|
|
1672 686 TIP3 OH2 47.9881655061 11.9864664932 14.4981769833 SOLV 485 0.0000000000
|
|
1673 686 TIP3 H1 47.7654208179 11.6908221968 15.3884219663 SOLV 485 0.0000000000
|
|
1674 686 TIP3 H2 47.9213863642 12.9665733744 14.6062879186 SOLV 485 0.0000000000
|
|
1675 687 TIP3 OH2 41.7147314853 10.5800890917 9.4680238333 SOLV 486 0.0000000000
|
|
1676 687 TIP3 H1 42.1685506993 10.5676991309 8.5900893704 SOLV 486 0.0000000000
|
|
1677 687 TIP3 H2 42.3443653823 10.1047755007 10.0259349262 SOLV 486 0.0000000000
|
|
1678 688 TIP3 OH2 48.5311729759 12.7722215636 3.0323860757 SOLV 487 0.0000000000
|
|
1679 688 TIP3 H1 48.2748093340 13.6278107746 3.4426575579 SOLV 487 0.0000000000
|
|
1680 688 TIP3 H2 47.8551839828 12.1729390322 3.4089898127 SOLV 487 0.0000000000
|
|
1681 689 TIP3 OH2 38.9394404624 8.7186106677 14.8198802988 SOLV 488 0.0000000000
|
|
1682 689 TIP3 H1 38.6449756537 8.4716386931 15.7103084015 SOLV 488 0.0000000000
|
|
1683 689 TIP3 H2 38.1064923592 8.6115881842 14.3266425750 SOLV 488 0.0000000000
|
|
1684 690 TIP3 OH2 45.9260254125 8.8566876011 16.9914486306 SOLV 489 0.0000000000
|
|
1685 690 TIP3 H1 45.2817932068 8.3962382973 16.4253706976 SOLV 489 0.0000000000
|
|
1686 690 TIP3 H2 46.7096161794 8.2876783846 16.8338494619 SOLV 489 0.0000000000
|
|
1687 691 TIP3 OH2 44.1978693815 14.4090345477 7.1521620800 SOLV 490 0.0000000000
|
|
1688 691 TIP3 H1 44.4845124526 15.2624039569 6.7558961786 SOLV 490 0.0000000000
|
|
1689 691 TIP3 H2 43.2465820062 14.4518451703 7.0231516607 SOLV 490 0.0000000000
|
|
1690 692 TIP3 OH2 39.8843960513 8.8061021835 2.0078822192 SOLV 491 0.0000000000
|
|
1691 692 TIP3 H1 40.3426208641 9.3683993937 2.6595576514 SOLV 491 0.0000000000
|
|
1692 692 TIP3 H2 38.9487363342 8.9904234833 2.2391362966 SOLV 491 0.0000000000
|
|
1693 693 TIP3 OH2 45.1057963492 12.0971456433 6.1360834867 SOLV 492 0.0000000000
|
|
1694 693 TIP3 H1 44.8195500564 12.9340159253 6.5587444513 SOLV 492 0.0000000000
|
|
1695 693 TIP3 H2 44.6430706016 11.4361702579 6.6711306424 SOLV 492 0.0000000000
|
|
1696 694 TIP3 OH2 46.1211949179 16.2515980114 13.1502190363 SOLV 493 0.0000000000
|
|
1697 694 TIP3 H1 46.7821202297 16.8623185410 12.7668993246 SOLV 493 0.0000000000
|
|
1698 694 TIP3 H2 46.7122837028 15.6044921216 13.5861215257 SOLV 493 0.0000000000
|
|
1699 695 TIP3 OH2 44.1062591315 16.9678269524 5.8920404187 SOLV 494 0.0000000000
|
|
1700 695 TIP3 H1 43.2201012468 17.0727063771 6.2797401739 SOLV 494 0.0000000000
|
|
1701 695 TIP3 H2 44.5661781976 17.7383869495 6.3055660673 SOLV 494 0.0000000000
|
|
1702 696 TIP3 OH2 49.6650572823 11.8460679858 12.3553578165 SOLV 495 0.0000000000
|
|
1703 696 TIP3 H1 48.9003391748 11.7434445280 12.9717963389 SOLV 495 0.0000000000
|
|
1704 696 TIP3 H2 49.7987547522 10.9307167589 12.0330354286 SOLV 495 0.0000000000
|
|
1705 697 TIP3 OH2 40.3678668918 3.7937150788 14.4635683788 SOLV 496 0.0000000000
|
|
1706 697 TIP3 H1 39.4827435823 3.4689079183 14.2232998445 SOLV 496 0.0000000000
|
|
1707 697 TIP3 H2 40.4728313464 3.4291226684 15.3639179588 SOLV 496 0.0000000000
|
|
1708 698 TIP3 OH2 45.8992311643 14.5533919215 0.3789011041 SOLV 497 0.0000000000
|
|
1709 698 TIP3 H1 45.9506405088 13.7735317896 -0.1997765730 SOLV 497 0.0000000000
|
|
1710 698 TIP3 H2 45.3062512379 14.2231895073 1.0911050537 SOLV 497 0.0000000000
|
|
1711 699 TIP3 OH2 44.5686774438 13.7494211727 2.6518409603 SOLV 498 0.0000000000
|
|
1712 699 TIP3 H1 45.1343570529 13.2639250523 3.2622553866 SOLV 498 0.0000000000
|
|
1713 699 TIP3 H2 44.7004832369 14.6847938559 2.9478902900 SOLV 498 0.0000000000
|
|
1714 700 TIP3 OH2 41.0000929670 10.8613091422 3.5265957751 SOLV 499 0.0000000000
|
|
1715 700 TIP3 H1 40.1693194898 11.3142176961 3.7860877175 SOLV 499 0.0000000000
|
|
1716 700 TIP3 H2 41.4441393643 11.5799094769 3.0272331321 SOLV 499 0.0000000000
|
|
1717 701 TIP3 OH2 48.9861917154 4.1209107193 13.7144404138 SOLV 500 0.0000000000
|
|
1718 701 TIP3 H1 49.8985740458 3.8001761649 13.5931196792 SOLV 500 0.0000000000
|
|
1719 701 TIP3 H2 48.5497597847 3.2748436848 13.9771430415 SOLV 500 0.0000000000
|
|
1720 702 TIP3 OH2 49.3772833711 3.7662637175 4.6628614462 SOLV 501 0.0000000000
|
|
1721 702 TIP3 H1 50.1209186181 4.2079216795 4.2050526688 SOLV 501 0.0000000000
|
|
1722 702 TIP3 H2 49.2636881254 4.3798446844 5.4045608621 SOLV 501 0.0000000000
|
|
1723 703 TIP3 OH2 47.6163267286 15.2409327745 3.3826934572 SOLV 502 0.0000000000
|
|
1724 703 TIP3 H1 46.7415139237 15.6517448984 3.5144144879 SOLV 502 0.0000000000
|
|
1725 703 TIP3 H2 47.9006786598 15.5857995362 2.5223559165 SOLV 502 0.0000000000
|
|
1726 704 TIP3 OH2 46.3502274639 5.0170425707 5.2954232072 SOLV 503 0.0000000000
|
|
1727 704 TIP3 H1 47.0098138641 5.7305648511 5.1760606479 SOLV 503 0.0000000000
|
|
1728 704 TIP3 H2 46.4249129333 4.8642077604 6.2673218153 SOLV 503 0.0000000000
|
|
1729 705 TIP3 OH2 47.4097496037 6.1312794283 14.4195263238 SOLV 504 0.0000000000
|
|
1730 705 TIP3 H1 47.6630857995 6.3956149167 15.3285794579 SOLV 504 0.0000000000
|
|
1731 705 TIP3 H2 47.9814278697 5.3462363592 14.2592451665 SOLV 504 0.0000000000
|
|
1732 706 TIP3 OH2 47.4101907207 2.2502379656 6.1539954580 SOLV 505 0.0000000000
|
|
1733 706 TIP3 H1 47.7891469808 2.2402248275 7.0493618213 SOLV 505 0.0000000000
|
|
1734 706 TIP3 H2 48.1657943024 2.5887384638 5.6290534072 SOLV 505 0.0000000000
|
|
1735 707 TIP3 OH2 45.0744918526 16.1493629266 3.5380540888 SOLV 506 0.0000000000
|
|
1736 707 TIP3 H1 45.1010782999 16.9745793304 3.0111815973 SOLV 506 0.0000000000
|
|
1737 707 TIP3 H2 44.6419449044 16.4755372184 4.3636295197 SOLV 506 0.0000000000
|
|
1738 708 TIP3 OH2 43.7163275533 3.6495586382 2.7515260548 SOLV 507 0.0000000000
|
|
1739 708 TIP3 H1 43.5205867948 4.1307847807 3.5884015654 SOLV 507 0.0000000000
|
|
1740 708 TIP3 H2 44.5274967439 3.1751435804 3.0586120764 SOLV 507 0.0000000000
|
|
1741 709 TIP3 OH2 41.9217257315 13.0971671929 2.0389400356 SOLV 508 0.0000000000
|
|
1742 709 TIP3 H1 42.7812503492 13.4803544072 2.3236342884 SOLV 508 0.0000000000
|
|
1743 709 TIP3 H2 42.2415381654 12.5406488030 1.2976328565 SOLV 508 0.0000000000
|
|
1744 710 TIP3 OH2 40.1901093474 6.0680424375 1.3013989259 SOLV 509 0.0000000000
|
|
1745 710 TIP3 H1 40.2328667665 6.9566412356 1.7086259428 SOLV 509 0.0000000000
|
|
1746 710 TIP3 H2 39.6011009753 6.2028864125 0.5660940428 SOLV 509 0.0000000000
|
|
1747 711 TIP3 OH2 41.4201676113 0.8737772954 9.5680055058 SOLV 510 0.0000000000
|
|
1748 711 TIP3 H1 41.0750085872 0.9522295372 8.6585070512 SOLV 510 0.0000000000
|
|
1749 711 TIP3 H2 41.3705839611 -0.1088601355 9.6372431363 SOLV 510 0.0000000000
|
|
1750 712 TIP3 OH2 39.7659080870 15.0889433401 6.0161645622 SOLV 511 0.0000000000
|
|
1751 712 TIP3 H1 39.0912987642 15.4448052951 6.5995087813 SOLV 511 0.0000000000
|
|
1752 712 TIP3 H2 39.6488145066 15.6465775325 5.2119878764 SOLV 511 0.0000000000
|
|
1753 713 TIP3 OH2 39.4305481193 17.9725100439 17.4599169281 SOLV 512 0.0000000000
|
|
1754 713 TIP3 H1 39.9704151002 17.6989367418 18.2325364701 SOLV 512 0.0000000000
|
|
1755 713 TIP3 H2 39.2782858296 17.1082772736 17.0587953442 SOLV 512 0.0000000000
|
|
1756 714 TIP3 OH2 43.3898491714 16.1712143311 18.7273779934 SOLV 513 0.0000000000
|
|
1757 714 TIP3 H1 44.2242739379 15.7695224251 19.0408877472 SOLV 513 0.0000000000
|
|
1758 714 TIP3 H2 43.3026090152 15.7778320136 17.8287106044 SOLV 513 0.0000000000
|
|
1759 715 TIP3 OH2 48.1257944313 16.0527518284 0.6970057699 SOLV 514 0.0000000000
|
|
1760 715 TIP3 H1 47.3159673212 15.5303661090 0.5039875536 SOLV 514 0.0000000000
|
|
1761 715 TIP3 H2 48.8021675449 15.4560481346 0.3551542071 SOLV 514 0.0000000000
|
|
1762 716 TIP3 OH2 38.9155506370 11.4376034365 18.2477671858 SOLV 515 0.0000000000
|
|
1763 716 TIP3 H1 38.7311986169 10.4914349514 18.1759917601 SOLV 515 0.0000000000
|
|
1764 716 TIP3 H2 38.3092169499 11.8333922619 17.5911025688 SOLV 515 0.0000000000
|
|
1765 717 TIP3 OH2 43.5112564402 11.1212402118 0.4270863640 SOLV 516 0.0000000000
|
|
1766 717 TIP3 H1 43.8934349631 10.6483885773 1.2037258730 SOLV 516 0.0000000000
|
|
1767 717 TIP3 H2 44.2858602495 11.6149921459 0.1289388849 SOLV 516 0.0000000000
|
|
1768 718 TIP3 OH2 45.7454283006 11.6073839546 17.8728732258 SOLV 517 0.0000000000
|
|
1769 718 TIP3 H1 45.4329264014 12.0308594331 17.0410161641 SOLV 517 0.0000000000
|
|
1770 718 TIP3 H2 46.0451559488 10.7201090628 17.5703690430 SOLV 517 0.0000000000
|
|
1771 719 TIP3 OH2 48.7809323256 12.5965675166 0.1661279786 SOLV 518 0.0000000000
|
|
1772 719 TIP3 H1 48.6355955737 12.7255446274 1.1376999108 SOLV 518 0.0000000000
|
|
1773 719 TIP3 H2 49.6205670075 12.1232840341 0.1752083253 SOLV 518 0.0000000000
|
|
1774 720 TIP3 OH2 40.0328312744 8.5393431540 17.9872721724 SOLV 519 0.0000000000
|
|
1775 720 TIP3 H1 40.8144403742 9.0076202740 17.6378105461 SOLV 519 0.0000000000
|
|
1776 720 TIP3 H2 40.0415617243 8.8588284176 18.9196380317 SOLV 519 0.0000000000
|
|
1777 721 TIP3 OH2 44.3909086571 10.0285065281 2.6958502131 SOLV 520 0.0000000000
|
|
1778 721 TIP3 H1 43.8572076112 9.5649318964 3.3783212834 SOLV 520 0.0000000000
|
|
1779 721 TIP3 H2 44.8370502482 9.2444801326 2.3087956338 SOLV 520 0.0000000000
|
|
1780 722 TIP3 OH2 44.2123442805 7.5600926521 15.0144328997 SOLV 521 0.0000000000
|
|
1781 722 TIP3 H1 43.3590121430 8.0245162131 15.1735468062 SOLV 521 0.0000000000
|
|
1782 722 TIP3 H2 44.6650752241 8.2276890639 14.4560349357 SOLV 521 0.0000000000
|
|
1783 723 TIP3 OH2 45.7406303491 8.0106491285 1.3666882289 SOLV 522 0.0000000000
|
|
1784 723 TIP3 H1 45.6452258838 7.5603150264 0.5124129741 SOLV 522 0.0000000000
|
|
1785 723 TIP3 H2 46.7216314074 8.0350878206 1.3764523564 SOLV 522 0.0000000000
|
|
1786 724 TIP3 OH2 49.0874359936 9.9864174621 18.7086607223 SOLV 523 0.0000000000
|
|
1787 724 TIP3 H1 49.7313121561 9.3814929285 18.2829751604 SOLV 523 0.0000000000
|
|
1788 724 TIP3 H2 48.4792513017 9.3188662061 19.0768285349 SOLV 523 0.0000000000
|
|
1789 725 TIP3 OH2 44.2304076568 5.0875372776 16.0470741820 SOLV 524 0.0000000000
|
|
1790 725 TIP3 H1 44.4639297464 4.4979378451 15.3025366707 SOLV 524 0.0000000000
|
|
1791 725 TIP3 H2 44.3107193122 5.9478778345 15.5880588653 SOLV 524 0.0000000000
|
|
1792 726 TIP3 OH2 44.7870312624 3.7407923205 13.7874086137 SOLV 525 0.0000000000
|
|
1793 726 TIP3 H1 45.3417099097 4.1718215749 13.1060325641 SOLV 525 0.0000000000
|
|
1794 726 TIP3 H2 43.9192737500 3.6905880773 13.3282385741 SOLV 525 0.0000000000
|
|
1795 727 TIP3 OH2 45.8934925005 9.2538298343 13.8857527248 SOLV 526 0.0000000000
|
|
1796 727 TIP3 H1 46.8086909124 9.0101915131 13.6978629620 SOLV 526 0.0000000000
|
|
1797 727 TIP3 H2 45.6958292559 9.9293032036 13.2108392456 SOLV 526 0.0000000000
|
|
1798 728 TIP3 OH2 42.8680256466 5.8075849624 18.2838896160 SOLV 527 0.0000000000
|
|
1799 728 TIP3 H1 41.9939426250 5.3992867519 18.1322586168 SOLV 527 0.0000000000
|
|
1800 728 TIP3 H2 43.2759349111 5.6766943080 17.4047192600 SOLV 527 0.0000000000
|
|
1801 729 TIP3 OH2 45.4356566024 1.1059332893 14.0066343929 SOLV 528 0.0000000000
|
|
1802 729 TIP3 H1 45.1092463883 2.0269719978 14.0008536906 SOLV 528 0.0000000000
|
|
1803 729 TIP3 H2 44.8373696802 0.6781354594 13.3544435183 SOLV 528 0.0000000000
|
|
1804 730 TIP3 OH2 46.5123320748 4.9843122334 17.7305941948 SOLV 529 0.0000000000
|
|
1805 730 TIP3 H1 46.0049538851 4.4191140852 18.3388542075 SOLV 529 0.0000000000
|
|
1806 730 TIP3 H2 45.8807426552 5.0832489667 16.9828641231 SOLV 529 0.0000000000
|
|
1807 731 TIP3 OH2 49.1397864292 3.9607835363 17.4422720532 SOLV 530 0.0000000000
|
|
1808 731 TIP3 H1 48.1836055193 4.1608146280 17.4577231076 SOLV 530 0.0000000000
|
|
1809 731 TIP3 H2 49.1262796442 2.9946985192 17.4750704354 SOLV 530 0.0000000000
|
|
1810 732 TIP3 OH2 40.6082052939 4.1244219463 18.2831016387 SOLV 531 0.0000000000
|
|
1811 732 TIP3 H1 40.5922247318 3.3370143072 17.7005364370 SOLV 531 0.0000000000
|
|
1812 732 TIP3 H2 40.5036877833 3.7279488701 19.1733900630 SOLV 531 0.0000000000
|
|
1813 733 TIP3 OH2 46.2068923417 0.7213242723 16.7190129749 SOLV 532 0.0000000000
|
|
1814 733 TIP3 H1 45.5760687635 -0.0229113332 16.7050517487 SOLV 532 0.0000000000
|
|
1815 733 TIP3 H2 46.1292224979 1.0631780890 15.8094111875 SOLV 532 0.0000000000
|
|
1816 734 TIP3 OH2 46.4982002571 2.1244804648 18.9823529278 SOLV 533 0.0000000000
|
|
1817 734 TIP3 H1 46.4024791415 1.4455577275 18.2671684422 SOLV 533 0.0000000000
|
|
1818 734 TIP3 H2 45.6034112893 2.5061329579 19.0286608110 SOLV 533 0.0000000000
|
|
1819 735 TIP3 OH2 45.5330733135 18.5078655010 2.3145434388 SOLV 534 0.0000000000
|
|
1820 735 TIP3 H1 46.4501401110 18.5889789193 1.9970062664 SOLV 534 0.0000000000
|
|
1821 735 TIP3 H2 45.1790472739 19.3895565328 2.1569671726 SOLV 534 0.0000000000
|
|
1822 736 TIP3 OH2 39.2136749392 13.6395362920 1.5656007358 SOLV 535 0.0000000000
|
|
1823 736 TIP3 H1 40.1897008990 13.4860286857 1.6381949167 SOLV 535 0.0000000000
|
|
1824 736 TIP3 H2 38.9675449085 12.9605935296 0.9011068412 SOLV 535 0.0000000000
|
|
1825 737 TIP3 OH2 38.1278519627 18.4731833631 6.6888334234 SOLV 536 0.0000000000
|
|
1826 737 TIP3 H1 37.4606658799 18.1411060471 6.0459133450 SOLV 536 0.0000000000
|
|
1827 737 TIP3 H2 38.2394909210 17.6983058227 7.2750959932 SOLV 536 0.0000000000
|
|
1828 738 TIP3 OH2 38.7023152210 16.4273332844 8.4194861457 SOLV 537 0.0000000000
|
|
1829 738 TIP3 H1 38.1604866601 15.7806949713 8.9150690085 SOLV 537 0.0000000000
|
|
1830 738 TIP3 H2 39.2773042883 16.8044295802 9.1296999562 SOLV 537 0.0000000000
|
|
1831 739 TIP3 OH2 38.6916701066 10.0675551868 11.0154458304 SOLV 538 0.0000000000
|
|
1832 739 TIP3 H1 38.6553568998 9.7442943987 10.0914490350 SOLV 538 0.0000000000
|
|
1833 739 TIP3 H2 39.4832613634 9.5823037251 11.3491124640 SOLV 538 0.0000000000
|
|
1834 740 TIP3 OH2 38.2486872812 4.9363256311 16.6072093567 SOLV 539 0.0000000000
|
|
1835 740 TIP3 H1 39.0598882013 4.8503799215 17.1461475685 SOLV 539 0.0000000000
|
|
1836 740 TIP3 H2 37.8763272543 4.0399503024 16.7251663226 SOLV 539 0.0000000000
|
|
1837 741 TIP3 OH2 39.6972503659 3.3788399174 9.8838420494 SOLV 540 0.0000000000
|
|
1838 741 TIP3 H1 40.2176180572 2.5653266266 10.0475320006 SOLV 540 0.0000000000
|
|
1839 741 TIP3 H2 40.3166323670 4.0697794337 10.1710145934 SOLV 540 0.0000000000
|
|
1840 742 TIP3 OH2 37.6532861269 6.2940373952 10.4915963645 SOLV 541 0.0000000000
|
|
1841 742 TIP3 H1 38.4314150849 6.3767596669 9.8945315879 SOLV 541 0.0000000000
|
|
1842 742 TIP3 H2 37.9662854199 6.8082340018 11.2476770888 SOLV 541 0.0000000000
|
|
1843 743 TIP3 OH2 38.2414790024 2.5821616427 4.8738368209 SOLV 542 0.0000000000
|
|
1844 743 TIP3 H1 37.3075390682 2.8357591462 5.0182559442 SOLV 542 0.0000000000
|
|
1845 743 TIP3 H2 38.4605766562 3.2011706985 4.1465198892 SOLV 542 0.0000000000
|
|
1846 744 TIP3 OH2 38.0526596613 1.9334285907 14.0745902486 SOLV 543 0.0000000000
|
|
1847 744 TIP3 H1 38.3212978191 1.0023672881 13.9325859448 SOLV 543 0.0000000000
|
|
1848 744 TIP3 H2 37.7293927978 2.1887536153 13.1901664099 SOLV 543 0.0000000000
|
|
1849 745 TIP3 OH2 40.3987722967 14.4776845420 17.4257033261 SOLV 544 0.0000000000
|
|
1850 745 TIP3 H1 39.6378717645 14.8504848167 16.9515695876 SOLV 544 0.0000000000
|
|
1851 745 TIP3 H2 40.1899512879 14.7463616489 18.3316529127 SOLV 544 0.0000000000
|
|
1852 746 TIP3 OH2 43.4932389589 15.9526822852 13.9736891380 SOLV 545 0.0000000000
|
|
1853 746 TIP3 H1 43.2868210217 16.8466483878 13.6138237474 SOLV 545 0.0000000000
|
|
1854 746 TIP3 H2 44.4387667242 15.9196616517 13.7387685600 SOLV 545 0.0000000000
|
|
1855 747 TIP3 OH2 47.5026780053 16.9270817988 16.6293328223 SOLV 546 0.0000000000
|
|
1856 747 TIP3 H1 47.6810787065 16.3517104559 17.4089205111 SOLV 546 0.0000000000
|
|
1857 747 TIP3 H2 48.4076463789 17.1984559972 16.3601030234 SOLV 546 0.0000000000
|
|
1858 748 TIP3 OH2 -0.1310782856 18.1185603382 15.7065533193 SOLV 547 0.0000000000
|
|
1859 748 TIP3 H1 0.5514487075 17.9779515597 15.0315776925 SOLV 547 0.0000000000
|
|
1860 748 TIP3 H2 0.4162804339 18.0896168129 16.5188329322 SOLV 547 0.0000000000
|
|
1861 749 TIP3 OH2 40.8143124448 19.0065588109 13.5088454319 SOLV 548 0.0000000000
|
|
1862 749 TIP3 H1 40.1365074685 19.7159579742 13.4715194629 SOLV 548 0.0000000000
|
|
1863 749 TIP3 H2 40.2353172363 18.2098704230 13.4895836494 SOLV 548 0.0000000000
|
|
1864 750 TIP3 OH2 43.3387967690 18.4408855631 12.9312693312 SOLV 549 0.0000000000
|
|
1865 750 TIP3 H1 42.4517615074 18.7167716512 13.2531524720 SOLV 549 0.0000000000
|
|
1866 750 TIP3 H2 43.3197136901 18.8849552007 12.0547339663 SOLV 549 0.0000000000
|
|
1867 751 TIP3 OH2 47.6494399731 18.0655834054 11.6980216638 SOLV 550 0.0000000000
|
|
1868 751 TIP3 H1 46.8847310507 18.6099605785 11.4078294062 SOLV 550 0.0000000000
|
|
1869 751 TIP3 H2 48.0103517420 18.5821408090 12.4318520924 SOLV 550 0.0000000000
|
|
1870 752 TIP3 OH2 40.1487790799 17.3735426317 10.4194340456 SOLV 551 0.0000000000
|
|
1871 752 TIP3 H1 39.9182814636 17.0195879131 11.3146531640 SOLV 551 0.0000000000
|
|
1872 752 TIP3 H2 41.0512993893 16.9724492230 10.2862126568 SOLV 551 0.0000000000
|
|
1873 753 TIP3 OH2 42.4145555177 16.1106788356 9.5112341572 SOLV 552 0.0000000000
|
|
1874 753 TIP3 H1 42.2861562304 15.1582347520 9.7215569166 SOLV 552 0.0000000000
|
|
1875 753 TIP3 H2 43.2961548529 16.2505785019 9.9389821823 SOLV 552 0.0000000000
|
|
1876 754 TIP3 OH2 44.7413720066 16.3418718254 10.6528161498 SOLV 553 0.0000000000
|
|
1877 754 TIP3 H1 45.0069203864 15.4722749987 10.3036941278 SOLV 553 0.0000000000
|
|
1878 754 TIP3 H2 45.0714963068 16.3096418189 11.5691741107 SOLV 553 0.0000000000
|
|
1879 755 TIP3 OH2 47.8260775112 2.2845351606 8.8361552451 SOLV 554 0.0000000000
|
|
1880 755 TIP3 H1 46.9989086663 1.8538873411 9.1749108922 SOLV 554 0.0000000000
|
|
1881 755 TIP3 H2 48.4179572127 2.1728593527 9.6004123918 SOLV 554 0.0000000000
|
|
1882 756 TIP3 OH2 40.7370138987 0.7631950897 6.8627093574 SOLV 555 0.0000000000
|
|
1883 756 TIP3 H1 40.2655589609 1.0353222879 6.0520332839 SOLV 555 0.0000000000
|
|
1884 756 TIP3 H2 41.2172518860 -0.0249111248 6.5777579573 SOLV 555 0.0000000000
|
|
1885 757 TIP3 OH2 39.7927441374 0.6703231618 3.6765902696 SOLV 556 0.0000000000
|
|
1886 757 TIP3 H1 40.2935278279 1.2249932903 3.0372204808 SOLV 556 0.0000000000
|
|
1887 757 TIP3 H2 39.0429814149 1.2526879310 3.9090708049 SOLV 556 0.0000000000
|
|
1888 758 TIP3 OH2 44.9068969857 1.7314414598 6.8972470811 SOLV 557 0.0000000000
|
|
1889 758 TIP3 H1 45.7940692084 1.9943919153 6.5487055437 SOLV 557 0.0000000000
|
|
1890 758 TIP3 H2 45.0941784069 1.6574194788 7.8424032266 SOLV 557 0.0000000000
|
|
1891 759 TIP3 OH2 39.4542058875 16.7198005513 3.8715538622 SOLV 558 0.0000000000
|
|
1892 759 TIP3 H1 38.6579591083 16.5978311177 3.3272873575 SOLV 558 0.0000000000
|
|
1893 759 TIP3 H2 39.5632110652 17.6808070585 3.7406509984 SOLV 558 0.0000000000
|
|
1894 760 TIP3 OH2 41.6766081785 1.8324743454 1.9438296300 SOLV 559 0.0000000000
|
|
1895 760 TIP3 H1 41.7533399865 2.1580682088 1.0337404772 SOLV 559 0.0000000000
|
|
1896 760 TIP3 H2 42.3111202792 2.4167903247 2.3942466932 SOLV 559 0.0000000000
|
|
1897 761 TIP3 OH2 46.1335303912 2.7468732951 3.8225484723 SOLV 560 0.0000000000
|
|
1898 761 TIP3 H1 46.5985385183 2.1685926536 4.4590870947 SOLV 560 0.0000000000
|
|
1899 761 TIP3 H2 46.2803832829 3.5904945209 4.3142862978 SOLV 560 0.0000000000
|
|
1900 762 TIP3 OH2 48.3584001681 18.4815404361 1.9423229745 SOLV 561 0.0000000000
|
|
1901 762 TIP3 H1 49.2828402197 18.5170115748 2.2225269912 SOLV 561 0.0000000000
|
|
1902 762 TIP3 H2 48.3130770663 17.5736924236 1.5801165923 SOLV 561 0.0000000000
|
|
1903 763 TIP3 OH2 40.4838579960 1.9827947755 16.5764568184 SOLV 562 0.0000000000
|
|
1904 763 TIP3 H1 40.1857466825 1.3079083380 15.9607820496 SOLV 562 0.0000000000
|
|
1905 763 TIP3 H2 41.3245753179 1.6070735550 16.9283630239 SOLV 562 0.0000000000
|
|
1906 764 TIP3 OH2 42.7714173847 1.3593515619 18.2768461953 SOLV 563 0.0000000000
|
|
1907 764 TIP3 H1 43.3196525736 2.1342509006 18.5327050368 SOLV 563 0.0000000000
|
|
1908 764 TIP3 H2 43.1712966074 0.6649657221 18.8466096980 SOLV 563 0.0000000000
|
|
1909 765 TIP3 OH2 40.8548482899 17.3357335873 0.8826607513 SOLV 564 0.0000000000
|
|
1910 765 TIP3 H1 40.5245479852 17.6808236534 1.7277137872 SOLV 564 0.0000000000
|
|
1911 765 TIP3 H2 41.6520262405 16.9016177660 1.1849682781 SOLV 564 0.0000000000
|
|
1912 766 TIP3 OH2 12.4041124722 28.9726761030 6.7457791404 SOLV 565 0.0000000000
|
|
1913 766 TIP3 H1 12.1243922806 29.9129099459 6.7292801248 SOLV 565 0.0000000000
|
|
1914 766 TIP3 H2 11.6047424664 28.5598490612 6.3685259283 SOLV 565 0.0000000000
|
|
1915 767 TIP3 OH2 11.1536080624 27.9796793785 10.7214846689 SOLV 566 0.0000000000
|
|
1916 767 TIP3 H1 11.3861613976 27.5246721491 11.5594530516 SOLV 566 0.0000000000
|
|
1917 767 TIP3 H2 10.3307281079 27.5163058260 10.4927714782 SOLV 566 0.0000000000
|
|
1918 768 TIP3 OH2 3.1100410034 27.8286453289 12.0530209162 SOLV 567 0.0000000000
|
|
1919 768 TIP3 H1 3.3344778484 27.1063439301 12.6587164208 SOLV 567 0.0000000000
|
|
1920 768 TIP3 H2 3.9315761226 28.3445760209 12.0352191648 SOLV 567 0.0000000000
|
|
1921 769 TIP3 OH2 14.7179377051 31.1851512539 9.0788333365 SOLV 568 0.0000000000
|
|
1922 769 TIP3 H1 14.5191139571 30.3667506496 9.5620123074 SOLV 568 0.0000000000
|
|
1923 769 TIP3 H2 14.8745904714 31.8090210687 9.8098560334 SOLV 568 0.0000000000
|
|
1924 770 TIP3 OH2 4.6867686590 32.5174789552 10.6105819958 SOLV 569 0.0000000000
|
|
1925 770 TIP3 H1 4.4035689952 31.6301048847 10.3175626884 SOLV 569 0.0000000000
|
|
1926 770 TIP3 H2 5.6522834066 32.4297046947 10.4852164649 SOLV 569 0.0000000000
|
|
1927 771 TIP3 OH2 0.6538428938 25.9232153510 6.1893186111 SOLV 570 0.0000000000
|
|
1928 771 TIP3 H1 0.6088336134 26.8931351283 6.3521082492 SOLV 570 0.0000000000
|
|
1929 771 TIP3 H2 0.8973360787 25.5999069632 7.0628774434 SOLV 570 0.0000000000
|
|
1930 772 TIP3 OH2 2.1904517977 28.1371909087 8.9270080030 SOLV 571 0.0000000000
|
|
1931 772 TIP3 H1 2.1139308857 27.1779077762 8.7861872044 SOLV 571 0.0000000000
|
|
1932 772 TIP3 H2 2.0676997460 28.5060790007 8.0336954365 SOLV 571 0.0000000000
|
|
1933 773 TIP3 OH2 12.2045966419 36.2765034318 9.4221516836 SOLV 572 0.0000000000
|
|
1934 773 TIP3 H1 12.5382768853 35.7105744898 8.6857217263 SOLV 572 0.0000000000
|
|
1935 773 TIP3 H2 11.6784756865 35.6403035514 9.9165761607 SOLV 572 0.0000000000
|
|
1936 774 TIP3 OH2 9.3778457156 31.2015034511 10.8517166150 SOLV 573 0.0000000000
|
|
1937 774 TIP3 H1 9.4439810251 30.3207581048 10.4540895978 SOLV 573 0.0000000000
|
|
1938 774 TIP3 H2 10.2035625030 31.2393864501 11.3744314480 SOLV 573 0.0000000000
|
|
1939 775 TIP3 OH2 18.0276962979 22.1450455137 11.7604908470 SOLV 574 0.0000000000
|
|
1940 775 TIP3 H1 18.3806793067 22.8132709859 12.3829769644 SOLV 574 0.0000000000
|
|
1941 775 TIP3 H2 18.6366715830 22.2551630440 11.0096315493 SOLV 574 0.0000000000
|
|
1942 776 TIP3 OH2 12.3411112036 24.8064576174 11.1445639670 SOLV 575 0.0000000000
|
|
1943 776 TIP3 H1 12.6064753429 23.8782278315 11.2256130738 SOLV 575 0.0000000000
|
|
1944 776 TIP3 H2 12.3781236949 24.9131616690 10.1661872017 SOLV 575 0.0000000000
|
|
1945 777 TIP3 OH2 6.1422416134 22.8229449442 8.4404755097 SOLV 576 0.0000000000
|
|
1946 777 TIP3 H1 6.2330147221 23.6691905233 7.9379329581 SOLV 576 0.0000000000
|
|
1947 777 TIP3 H2 5.5989863557 22.3019866245 7.8294480282 SOLV 576 0.0000000000
|
|
1948 778 TIP3 OH2 13.6894511950 23.0934906039 6.6366259204 SOLV 577 0.0000000000
|
|
1949 778 TIP3 H1 14.0609784476 22.8752039955 7.5230178135 SOLV 577 0.0000000000
|
|
1950 778 TIP3 H2 14.4008667734 23.6357044409 6.2520851917 SOLV 577 0.0000000000
|
|
1951 779 TIP3 OH2 2.3261951702 25.0508351453 9.0049475566 SOLV 578 0.0000000000
|
|
1952 779 TIP3 H1 3.0356142470 24.8173495912 9.6286079743 SOLV 578 0.0000000000
|
|
1953 779 TIP3 H2 2.7362437923 24.7528626634 8.1627693565 SOLV 578 0.0000000000
|
|
1954 780 TIP3 OH2 7.4754090002 27.0185957145 8.3954468271 SOLV 579 0.0000000000
|
|
1955 780 TIP3 H1 8.1860811128 26.5132679893 8.8529039894 SOLV 579 0.0000000000
|
|
1956 780 TIP3 H2 6.9744512065 26.3041033644 7.9559106061 SOLV 579 0.0000000000
|
|
1957 781 TIP3 OH2 18.7665470880 23.7966775917 13.9186899080 SOLV 580 0.0000000000
|
|
1958 781 TIP3 H1 17.9964706760 24.3810439126 13.7499309062 SOLV 580 0.0000000000
|
|
1959 781 TIP3 H2 18.7834082300 23.8460092659 14.8965445231 SOLV 580 0.0000000000
|
|
1960 782 TIP3 OH2 4.6612494354 22.0548150042 12.4840825261 SOLV 581 0.0000000000
|
|
1961 782 TIP3 H1 4.4064996032 22.5877145706 11.7117763445 SOLV 581 0.0000000000
|
|
1962 782 TIP3 H2 4.1052821409 22.4577570788 13.1861976563 SOLV 581 0.0000000000
|
|
1963 783 TIP3 OH2 11.5998813860 31.4715176412 5.8667942962 SOLV 582 0.0000000000
|
|
1964 783 TIP3 H1 11.5672356208 31.4749554734 4.8900488474 SOLV 582 0.0000000000
|
|
1965 783 TIP3 H2 11.1667529704 32.3478422118 6.0378097681 SOLV 582 0.0000000000
|
|
1966 784 TIP3 OH2 14.7894003015 22.8460361925 9.1829960389 SOLV 583 0.0000000000
|
|
1967 784 TIP3 H1 14.0543280918 22.4789483680 9.7168536060 SOLV 583 0.0000000000
|
|
1968 784 TIP3 H2 15.2965271716 23.3611261450 9.8464109628 SOLV 583 0.0000000000
|
|
1969 785 TIP3 OH2 4.4365452190 23.9397904401 10.3917372949 SOLV 584 0.0000000000
|
|
1970 785 TIP3 H1 4.9976803835 24.6017486858 10.8725617252 SOLV 584 0.0000000000
|
|
1971 785 TIP3 H2 5.0793853146 23.6060361699 9.7250898986 SOLV 584 0.0000000000
|
|
1972 786 TIP3 OH2 5.5185464696 32.1388588118 13.6202711149 SOLV 585 0.0000000000
|
|
1973 786 TIP3 H1 5.5645472829 33.0890525936 13.4084595212 SOLV 585 0.0000000000
|
|
1974 786 TIP3 H2 4.5756711240 32.0608789742 13.8562670470 SOLV 585 0.0000000000
|
|
1975 787 TIP3 OH2 1.6934098125 31.4847895561 4.0603026427 SOLV 586 0.0000000000
|
|
1976 787 TIP3 H1 0.9210887495 31.8985600152 3.6790785113 SOLV 586 0.0000000000
|
|
1977 787 TIP3 H2 1.7571183466 31.9150261389 4.9379958962 SOLV 586 0.0000000000
|
|
1978 788 TIP3 OH2 15.1692769500 33.1355996158 11.1049427134 SOLV 587 0.0000000000
|
|
1979 788 TIP3 H1 14.2168463795 33.2920111548 11.3057979154 SOLV 587 0.0000000000
|
|
1980 788 TIP3 H2 15.3988746913 34.0125621023 10.7543634157 SOLV 587 0.0000000000
|
|
1981 789 TIP3 OH2 15.6368502814 21.1008608598 12.7292328796 SOLV 588 0.0000000000
|
|
1982 789 TIP3 H1 14.9452403304 21.6073537985 12.2864971874 SOLV 588 0.0000000000
|
|
1983 789 TIP3 H2 16.4594298054 21.4280341618 12.2826022513 SOLV 588 0.0000000000
|
|
1984 790 TIP3 OH2 8.1388069259 18.9146081531 10.0631431724 SOLV 589 0.0000000000
|
|
1985 790 TIP3 H1 7.8046750953 17.9928580811 10.0011109236 SOLV 589 0.0000000000
|
|
1986 790 TIP3 H2 7.2997925536 19.3801109572 10.2665857430 SOLV 589 0.0000000000
|
|
1987 791 TIP3 OH2 13.2257151882 34.9516605889 7.2984829797 SOLV 590 0.0000000000
|
|
1988 791 TIP3 H1 13.6267363534 34.0614996604 7.1320762302 SOLV 590 0.0000000000
|
|
1989 791 TIP3 H2 14.0690888976 35.4727269159 7.2318401915 SOLV 590 0.0000000000
|
|
1990 792 TIP3 OH2 14.6057531389 32.7272616451 6.5932835841 SOLV 591 0.0000000000
|
|
1991 792 TIP3 H1 14.3507391410 32.0674915070 5.9294931674 SOLV 591 0.0000000000
|
|
1992 792 TIP3 H2 14.7290656685 32.1489559600 7.3947796651 SOLV 591 0.0000000000
|
|
1993 793 TIP3 OH2 16.0629353451 31.2508763525 14.6378229065 SOLV 592 0.0000000000
|
|
1994 793 TIP3 H1 15.9710171844 30.6207157130 13.8848692927 SOLV 592 0.0000000000
|
|
1995 793 TIP3 H2 16.3074563048 32.0694917745 14.1503837259 SOLV 592 0.0000000000
|
|
1996 794 TIP3 OH2 10.8270496138 27.9710351254 4.6261705557 SOLV 593 0.0000000000
|
|
1997 794 TIP3 H1 10.2283582313 28.7112825207 4.3758567347 SOLV 593 0.0000000000
|
|
1998 794 TIP3 H2 11.5230454814 28.0266205636 3.9474776202 SOLV 593 0.0000000000
|
|
1999 795 TIP3 OH2 11.1433447668 26.6451566963 1.0128651698 SOLV 594 0.0000000000
|
|
2000 795 TIP3 H1 11.8390592241 27.0279847039 1.5836408513 SOLV 594 0.0000000000
|
|
2001 795 TIP3 H2 11.6811739843 26.1869478857 0.3502498476 SOLV 594 0.0000000000
|
|
2002 796 TIP3 OH2 17.9653989079 27.7662945276 12.6881988850 SOLV 595 0.0000000000
|
|
2003 796 TIP3 H1 17.2433591286 28.4369742591 12.7242053763 SOLV 595 0.0000000000
|
|
2004 796 TIP3 H2 18.5717693127 28.1699331834 12.0325924594 SOLV 595 0.0000000000
|
|
2005 797 TIP3 OH2 14.5519230559 28.3256211415 5.1992962866 SOLV 596 0.0000000000
|
|
2006 797 TIP3 H1 13.8141156762 28.5268598356 5.8353680599 SOLV 596 0.0000000000
|
|
2007 797 TIP3 H2 15.2001085689 27.9268546601 5.8096511361 SOLV 596 0.0000000000
|
|
2008 798 TIP3 OH2 14.0286157709 26.4673610686 14.8645283050 SOLV 597 0.0000000000
|
|
2009 798 TIP3 H1 13.8046157763 27.2103181794 15.4554527690 SOLV 597 0.0000000000
|
|
2010 798 TIP3 H2 13.4167883428 26.6887627980 14.1149863212 SOLV 597 0.0000000000
|
|
2011 799 TIP3 OH2 5.8260654068 28.9541080860 7.4100926078 SOLV 598 0.0000000000
|
|
2012 799 TIP3 H1 5.6044097059 28.6369438815 6.5011032730 SOLV 598 0.0000000000
|
|
2013 799 TIP3 H2 6.4466094749 28.2578538181 7.7254959803 SOLV 598 0.0000000000
|
|
2014 800 TIP3 OH2 7.2680900493 32.4945070204 9.8955325178 SOLV 599 0.0000000000
|
|
2015 800 TIP3 H1 7.3809488635 32.1805869193 8.9816509151 SOLV 599 0.0000000000
|
|
2016 800 TIP3 H2 8.0619048007 32.0751734851 10.3330573516 SOLV 599 0.0000000000
|
|
2017 801 TIP3 OH2 12.7009253460 33.4726797190 11.9122632526 SOLV 600 0.0000000000
|
|
2018 801 TIP3 H1 12.4807871706 33.9877300407 12.7143867310 SOLV 600 0.0000000000
|
|
2019 801 TIP3 H2 12.3269436428 32.5889149949 12.1146873810 SOLV 600 0.0000000000
|
|
2020 802 TIP3 OH2 7.0979704730 32.2638679870 15.7783301453 SOLV 601 0.0000000000
|
|
2021 802 TIP3 H1 6.3104135036 32.6021946443 16.2459748560 SOLV 601 0.0000000000
|
|
2022 802 TIP3 H2 6.6862619617 32.0299488497 14.9131520037 SOLV 601 0.0000000000
|
|
2023 803 TIP3 OH2 12.9786428921 27.6508232885 3.0461164829 SOLV 602 0.0000000000
|
|
2024 803 TIP3 H1 13.5903230867 27.9367057844 3.7650477353 SOLV 602 0.0000000000
|
|
2025 803 TIP3 H2 13.4561063644 28.0156187921 2.2649394699 SOLV 602 0.0000000000
|
|
2026 804 TIP3 OH2 3.6317955172 27.4979357181 15.4788454582 SOLV 603 0.0000000000
|
|
2027 804 TIP3 H1 4.2428806740 28.2447480036 15.4218035310 SOLV 603 0.0000000000
|
|
2028 804 TIP3 H2 2.7757848959 27.9076098456 15.2883416684 SOLV 603 0.0000000000
|
|
2029 805 TIP3 OH2 10.7489731602 33.9539785153 6.2454810120 SOLV 604 0.0000000000
|
|
2030 805 TIP3 H1 11.5380321555 34.2430848277 6.7327321169 SOLV 604 0.0000000000
|
|
2031 805 TIP3 H2 10.3991061390 34.7721024398 5.8820042169 SOLV 604 0.0000000000
|
|
2032 806 TIP3 OH2 5.1935345407 34.0734881801 16.3840204777 SOLV 605 0.0000000000
|
|
2033 806 TIP3 H1 5.4179915773 34.3813133073 15.4798174013 SOLV 605 0.0000000000
|
|
2034 806 TIP3 H2 4.2498560404 33.8690659059 16.2685751771 SOLV 605 0.0000000000
|
|
2035 807 TIP3 OH2 16.8484731509 19.2114878748 3.1846889674 SOLV 606 0.0000000000
|
|
2036 807 TIP3 H1 15.8939176399 19.3723004344 3.3262933356 SOLV 606 0.0000000000
|
|
2037 807 TIP3 H2 17.1435517142 20.0447716508 2.7649200581 SOLV 606 0.0000000000
|
|
2038 808 TIP3 OH2 5.0965442802 28.0833250856 4.8846506928 SOLV 607 0.0000000000
|
|
2039 808 TIP3 H1 4.5611115335 28.7959535511 4.4806586206 SOLV 607 0.0000000000
|
|
2040 808 TIP3 H2 4.7670842047 27.2921803453 4.4449478408 SOLV 607 0.0000000000
|
|
2041 809 TIP3 OH2 17.9434513154 33.8407319684 1.7668599029 SOLV 608 0.0000000000
|
|
2042 809 TIP3 H1 18.3117245705 34.7268402443 1.6313672292 SOLV 608 0.0000000000
|
|
2043 809 TIP3 H2 18.7581255006 33.2892727758 1.7007628711 SOLV 608 0.0000000000
|
|
2044 810 TIP3 OH2 1.5044041677 30.6415622004 14.1111277842 SOLV 609 0.0000000000
|
|
2045 810 TIP3 H1 0.9286542535 30.8586503574 13.3598857239 SOLV 609 0.0000000000
|
|
2046 810 TIP3 H2 1.2105669799 29.7280366461 14.2882491109 SOLV 609 0.0000000000
|
|
2047 811 TIP3 OH2 1.0611841718 33.3833691606 10.1739713880 SOLV 610 0.0000000000
|
|
2048 811 TIP3 H1 1.0637602467 32.4377137925 10.3855495389 SOLV 610 0.0000000000
|
|
2049 811 TIP3 H2 1.1251685093 33.7666843796 11.0675418761 SOLV 610 0.0000000000
|
|
2050 812 TIP3 OH2 18.6953718966 34.0489914992 16.6874638259 SOLV 611 0.0000000000
|
|
2051 812 TIP3 H1 18.6838272525 33.0806149995 16.6142627268 SOLV 611 0.0000000000
|
|
2052 812 TIP3 H2 17.7418516163 34.1938025457 16.8989540779 SOLV 611 0.0000000000
|
|
2053 813 TIP3 OH2 9.5438015454 33.4426885038 15.1630692091 SOLV 612 0.0000000000
|
|
2054 813 TIP3 H1 9.5149502393 34.3665274176 15.4682874091 SOLV 612 0.0000000000
|
|
2055 813 TIP3 H2 8.6516135879 33.1172782973 15.4340848702 SOLV 612 0.0000000000
|
|
2056 814 TIP3 OH2 10.5582296574 37.0070378182 4.8384843304 SOLV 613 0.0000000000
|
|
2057 814 TIP3 H1 10.4635474328 37.0933164140 3.8639820341 SOLV 613 0.0000000000
|
|
2058 814 TIP3 H2 10.2467224551 37.8769337614 5.1525387744 SOLV 613 0.0000000000
|
|
2059 815 TIP3 OH2 3.9727597992 35.6732930567 6.8859020287 SOLV 614 0.0000000000
|
|
2060 815 TIP3 H1 4.1070900638 35.2847726688 7.7807892986 SOLV 614 0.0000000000
|
|
2061 815 TIP3 H2 3.2470939189 35.0999443902 6.5488325058 SOLV 614 0.0000000000
|
|
2062 816 TIP3 OH2 13.1548348678 36.5556898984 2.2202516017 SOLV 615 0.0000000000
|
|
2063 816 TIP3 H1 13.6934812902 35.8244892931 1.8527534781 SOLV 615 0.0000000000
|
|
2064 816 TIP3 H2 13.2975284210 36.4196137150 3.1792370118 SOLV 615 0.0000000000
|
|
2065 817 TIP3 OH2 13.1651898459 36.3528483468 4.9146988394 SOLV 616 0.0000000000
|
|
2066 817 TIP3 H1 12.1943540615 36.5276423719 4.9529907800 SOLV 616 0.0000000000
|
|
2067 817 TIP3 H2 13.2824431806 35.6987243716 5.6300630816 SOLV 616 0.0000000000
|
|
2068 818 TIP3 OH2 15.7562438578 25.1797872106 16.7689586192 SOLV 617 0.0000000000
|
|
2069 818 TIP3 H1 15.2118464851 25.6133869945 16.0704816819 SOLV 617 0.0000000000
|
|
2070 818 TIP3 H2 15.8916668083 24.2987916612 16.3571265586 SOLV 617 0.0000000000
|
|
2071 819 TIP3 OH2 3.2030629470 32.3718693291 15.0817970386 SOLV 618 0.0000000000
|
|
2072 819 TIP3 H1 3.5031255772 31.8106570358 15.8248536990 SOLV 618 0.0000000000
|
|
2073 819 TIP3 H2 2.4523154975 31.8234762653 14.7432069708 SOLV 618 0.0000000000
|
|
2074 820 TIP3 OH2 5.7682146602 20.2142881615 10.7755374887 SOLV 619 0.0000000000
|
|
2075 820 TIP3 H1 4.9370416215 20.3367716076 10.2726452739 SOLV 619 0.0000000000
|
|
2076 820 TIP3 H2 5.6126438949 20.8420108076 11.5155141164 SOLV 619 0.0000000000
|
|
2077 821 TIP3 OH2 10.5287901544 19.6369657229 14.1131356917 SOLV 620 0.0000000000
|
|
2078 821 TIP3 H1 10.9611330366 19.2234745555 14.8832738240 SOLV 620 0.0000000000
|
|
2079 821 TIP3 H2 9.5678476639 19.5933793163 14.3343609964 SOLV 620 0.0000000000
|
|
2080 822 TIP3 OH2 13.4341071987 23.8659255189 15.0916573547 SOLV 621 0.0000000000
|
|
2081 822 TIP3 H1 12.7775371212 23.6141137670 15.7877231111 SOLV 621 0.0000000000
|
|
2082 822 TIP3 H2 13.3414846128 24.8339744750 15.0581537289 SOLV 621 0.0000000000
|
|
2083 823 TIP3 OH2 14.0830879556 28.4076036202 0.8113221759 SOLV 622 0.0000000000
|
|
2084 823 TIP3 H1 13.9631904224 28.4950210492 -0.1666605516 SOLV 622 0.0000000000
|
|
2085 823 TIP3 H2 15.0167995788 28.6942971491 0.8438372168 SOLV 622 0.0000000000
|
|
2086 824 TIP3 OH2 9.9850860848 22.6172552305 1.3552121691 SOLV 623 0.0000000000
|
|
2087 824 TIP3 H1 9.4954142872 22.2588768325 2.1243384732 SOLV 623 0.0000000000
|
|
2088 824 TIP3 H2 10.2485061640 21.7984534687 0.8937502764 SOLV 623 0.0000000000
|
|
2089 825 TIP3 OH2 5.8581074123 25.5183464226 12.0997185718 SOLV 624 0.0000000000
|
|
2090 825 TIP3 H1 5.0536576857 25.4261876516 12.6436803616 SOLV 624 0.0000000000
|
|
2091 825 TIP3 H2 6.3441106661 26.1810860543 12.6335259727 SOLV 624 0.0000000000
|
|
2092 826 TIP3 OH2 5.9564931161 25.0788049210 7.0511183600 SOLV 625 0.0000000000
|
|
2093 826 TIP3 H1 4.9924941584 25.0214173306 6.9044622245 SOLV 625 0.0000000000
|
|
2094 826 TIP3 H2 6.2664755043 24.8640820912 6.1588581776 SOLV 625 0.0000000000
|
|
2095 827 TIP3 OH2 11.4213948073 25.7209493479 5.8018702851 SOLV 626 0.0000000000
|
|
2096 827 TIP3 H1 11.1237881210 26.5669438015 5.3822111787 SOLV 626 0.0000000000
|
|
2097 827 TIP3 H2 12.0301545827 25.3941902080 5.1147477243 SOLV 626 0.0000000000
|
|
2098 828 TIP3 OH2 10.5468830037 25.8615115565 16.9851558760 SOLV 627 0.0000000000
|
|
2099 828 TIP3 H1 9.9599778351 25.1445150697 17.3095093106 SOLV 627 0.0000000000
|
|
2100 828 TIP3 H2 11.3838078347 25.6663858404 17.4436437351 SOLV 627 0.0000000000
|
|
2101 829 TIP3 OH2 12.5034564706 25.0197947021 8.3837253198 SOLV 628 0.0000000000
|
|
2102 829 TIP3 H1 11.9510274623 25.5645480265 7.7951619596 SOLV 628 0.0000000000
|
|
2103 829 TIP3 H2 12.7429558963 24.3376135538 7.7323178746 SOLV 628 0.0000000000
|
|
2104 830 TIP3 OH2 3.6806216870 25.4801644460 13.6588922569 SOLV 629 0.0000000000
|
|
2105 830 TIP3 H1 3.9246637160 26.0754047842 14.4003891962 SOLV 629 0.0000000000
|
|
2106 830 TIP3 H2 3.1983743694 24.7775505485 14.1443371157 SOLV 629 0.0000000000
|
|
2107 831 TIP3 OH2 6.2711208437 22.8500270103 0.1226235950 SOLV 630 0.0000000000
|
|
2108 831 TIP3 H1 6.2230666012 22.6645436965 1.0915818915 SOLV 630 0.0000000000
|
|
2109 831 TIP3 H2 5.8554202197 23.7297819996 0.0674800403 SOLV 630 0.0000000000
|
|
2110 832 TIP3 OH2 0.9849477387 22.5516661725 7.2877845578 SOLV 631 0.0000000000
|
|
2111 832 TIP3 H1 0.9723037741 22.9309462721 8.1833121417 SOLV 631 0.0000000000
|
|
2112 832 TIP3 H2 1.3265156754 21.6726464986 7.4561656833 SOLV 631 0.0000000000
|
|
2113 833 TIP3 OH2 1.6878933716 23.4541511252 3.1771736839 SOLV 632 0.0000000000
|
|
2114 833 TIP3 H1 1.9198899754 22.6562117733 2.6617929563 SOLV 632 0.0000000000
|
|
2115 833 TIP3 H2 2.0724428052 24.1567595450 2.6218897810 SOLV 632 0.0000000000
|
|
2116 834 TIP3 OH2 12.0465051787 26.6653722695 12.9600509616 SOLV 633 0.0000000000
|
|
2117 834 TIP3 H1 12.3135472807 25.8966673786 12.4023446573 SOLV 633 0.0000000000
|
|
2118 834 TIP3 H2 11.3125429116 26.2524251529 13.4703835988 SOLV 633 0.0000000000
|
|
2119 835 TIP3 OH2 8.9388131462 22.4743747926 7.8582312304 SOLV 634 0.0000000000
|
|
2120 835 TIP3 H1 8.0457980142 22.4773049083 8.2525999240 SOLV 634 0.0000000000
|
|
2121 835 TIP3 H2 9.4810373439 22.0557542479 8.5708638816 SOLV 634 0.0000000000
|
|
2122 836 TIP3 OH2 3.4630014341 24.1636385330 6.6951494702 SOLV 635 0.0000000000
|
|
2123 836 TIP3 H1 2.6417474409 24.1579640256 6.1748315398 SOLV 635 0.0000000000
|
|
2124 836 TIP3 H2 3.7716449894 23.2322981547 6.5115811589 SOLV 635 0.0000000000
|
|
2125 837 TIP3 OH2 6.5815936852 24.4342423327 4.4886733606 SOLV 636 0.0000000000
|
|
2126 837 TIP3 H1 7.5554783299 24.4395432787 4.5983197492 SOLV 636 0.0000000000
|
|
2127 837 TIP3 H2 6.4041733075 25.2068440639 3.9131985977 SOLV 636 0.0000000000
|
|
2128 838 TIP3 OH2 12.7593157196 22.1655354422 10.9547228764 SOLV 637 0.0000000000
|
|
2129 838 TIP3 H1 12.4515547392 22.0289754488 11.8836179222 SOLV 637 0.0000000000
|
|
2130 838 TIP3 H2 11.9623530837 21.8640957144 10.4728882175 SOLV 637 0.0000000000
|
|
2131 839 TIP3 OH2 5.4135884351 26.2206789096 2.7059402330 SOLV 638 0.0000000000
|
|
2132 839 TIP3 H1 4.7233846362 25.5994215550 2.4242704166 SOLV 638 0.0000000000
|
|
2133 839 TIP3 H2 6.1110703672 26.0394728481 2.0485888555 SOLV 638 0.0000000000
|
|
2134 840 TIP3 OH2 16.1065259687 37.6777218762 17.7149574575 SOLV 639 0.0000000000
|
|
2135 840 TIP3 H1 16.4315087244 38.0334379273 16.8641288514 SOLV 639 0.0000000000
|
|
2136 840 TIP3 H2 16.8817055412 37.9350583032 18.2747267404 SOLV 639 0.0000000000
|
|
2137 841 TIP3 OH2 4.0168319454 30.4942324153 17.0365199013 SOLV 640 0.0000000000
|
|
2138 841 TIP3 H1 4.7160953446 30.2154148046 17.6525237179 SOLV 640 0.0000000000
|
|
2139 841 TIP3 H2 3.2627903019 30.5487564127 17.6539624081 SOLV 640 0.0000000000
|
|
2140 842 TIP3 OH2 9.3733648018 25.6809988944 9.8769379131 SOLV 641 0.0000000000
|
|
2141 842 TIP3 H1 10.1701874722 25.1431911558 9.8092221161 SOLV 641 0.0000000000
|
|
2142 842 TIP3 H2 8.9252888740 25.3187996600 10.6655678475 SOLV 641 0.0000000000
|
|
2143 843 TIP3 OH2 4.3456407343 21.6941415190 6.5113052869 SOLV 642 0.0000000000
|
|
2144 843 TIP3 H1 3.8082454399 20.9253583158 6.7949120870 SOLV 642 0.0000000000
|
|
2145 843 TIP3 H2 4.9301075173 21.2715726804 5.8775669809 SOLV 642 0.0000000000
|
|
2146 844 TIP3 OH2 8.4106436973 24.3873108718 12.4840090568 SOLV 643 0.0000000000
|
|
2147 844 TIP3 H1 7.7405636512 25.0146982792 12.8401158000 SOLV 643 0.0000000000
|
|
2148 844 TIP3 H2 9.2059936581 24.7105807448 12.9560090629 SOLV 643 0.0000000000
|
|
2149 845 TIP3 OH2 9.1745783540 30.0079210709 3.9226393941 SOLV 644 0.0000000000
|
|
2150 845 TIP3 H1 8.4339368637 29.6511992529 3.3967888308 SOLV 644 0.0000000000
|
|
2151 845 TIP3 H2 8.6573105387 30.3373825757 4.6887211747 SOLV 644 0.0000000000
|
|
2152 846 TIP3 OH2 15.9709628685 29.5295390396 12.4018390810 SOLV 645 0.0000000000
|
|
2153 846 TIP3 H1 16.5865442696 29.9772889396 11.7959103570 SOLV 645 0.0000000000
|
|
2154 846 TIP3 H2 15.2120724279 29.3252538834 11.8082395281 SOLV 645 0.0000000000
|
|
2155 847 TIP3 OH2 12.5793947065 22.8189551526 2.1225677315 SOLV 646 0.0000000000
|
|
2156 847 TIP3 H1 11.6096791117 22.9278699465 2.0499471772 SOLV 646 0.0000000000
|
|
2157 847 TIP3 H2 12.8441809226 23.5807171568 2.6648184615 SOLV 646 0.0000000000
|
|
2158 848 TIP3 OH2 10.7858240620 30.8392902127 15.1324999928 SOLV 647 0.0000000000
|
|
2159 848 TIP3 H1 10.1317170527 30.2389444549 15.4992948687 SOLV 647 0.0000000000
|
|
2160 848 TIP3 H2 10.3588044294 31.7143472155 15.2050213814 SOLV 647 0.0000000000
|
|
2161 849 TIP3 OH2 13.2814279114 25.0234295015 3.7688127779 SOLV 648 0.0000000000
|
|
2162 849 TIP3 H1 14.1657926699 25.0535205859 4.1893719325 SOLV 648 0.0000000000
|
|
2163 849 TIP3 H2 13.2127386953 25.9108944181 3.3494592140 SOLV 648 0.0000000000
|
|
2164 850 TIP3 OH2 4.3065980689 29.8727829223 9.6250795171 SOLV 649 0.0000000000
|
|
2165 850 TIP3 H1 4.9485379657 29.6749877940 8.9116826717 SOLV 649 0.0000000000
|
|
2166 850 TIP3 H2 3.6969783474 29.1269687466 9.5103023860 SOLV 649 0.0000000000
|
|
2167 851 TIP3 OH2 11.2039254691 31.5019989791 3.1475756427 SOLV 650 0.0000000000
|
|
2168 851 TIP3 H1 10.7891257711 32.3906004519 3.2785483531 SOLV 650 0.0000000000
|
|
2169 851 TIP3 H2 10.4495026217 30.9082884380 3.3755856399 SOLV 650 0.0000000000
|
|
2170 852 TIP3 OH2 0.7942302609 28.0623268039 14.8200208580 SOLV 651 0.0000000000
|
|
2171 852 TIP3 H1 0.5795468958 27.4891963236 15.5703472078 SOLV 651 0.0000000000
|
|
2172 852 TIP3 H2 0.1929440746 27.7092933746 14.1297998649 SOLV 651 0.0000000000
|
|
2173 853 TIP3 OH2 8.3921917778 27.8530929741 17.0376615838 SOLV 652 0.0000000000
|
|
2174 853 TIP3 H1 7.8962482185 27.4438129051 16.2871912895 SOLV 652 0.0000000000
|
|
2175 853 TIP3 H2 9.2161697159 27.3375748748 16.9281769560 SOLV 652 0.0000000000
|
|
2176 854 TIP3 OH2 12.6178682860 33.5673774973 15.3118249480 SOLV 653 0.0000000000
|
|
2177 854 TIP3 H1 11.7291243787 33.4830592003 14.9511456508 SOLV 653 0.0000000000
|
|
2178 854 TIP3 H2 12.4037977326 33.6340899238 16.2630955447 SOLV 653 0.0000000000
|
|
2179 855 TIP3 OH2 18.1757353325 25.4687271118 3.6562838937 SOLV 654 0.0000000000
|
|
2180 855 TIP3 H1 17.6003852634 25.2096009886 2.8884543934 SOLV 654 0.0000000000
|
|
2181 855 TIP3 H2 18.3565119692 26.3912693206 3.3428448582 SOLV 654 0.0000000000
|
|
2182 856 TIP3 OH2 18.3917762049 31.3169536392 16.2405085578 SOLV 655 0.0000000000
|
|
2183 856 TIP3 H1 17.4950982669 31.3146301496 15.8464463057 SOLV 655 0.0000000000
|
|
2184 856 TIP3 H2 18.9237953116 30.9778985183 15.4823985328 SOLV 655 0.0000000000
|
|
2185 857 TIP3 OH2 16.6658092916 33.8403760107 4.1463960072 SOLV 656 0.0000000000
|
|
2186 857 TIP3 H1 15.9047873228 33.2622241614 4.2032639854 SOLV 656 0.0000000000
|
|
2187 857 TIP3 H2 16.9442230083 33.8023891903 3.2052726940 SOLV 656 0.0000000000
|
|
2188 858 TIP3 OH2 14.1000021352 28.9184768553 10.5342153476 SOLV 657 0.0000000000
|
|
2189 858 TIP3 H1 13.1349112300 28.8181742583 10.4756522336 SOLV 657 0.0000000000
|
|
2190 858 TIP3 H2 14.3980711713 28.0954403230 10.0931323027 SOLV 657 0.0000000000
|
|
2191 859 TIP3 OH2 6.4929029936 33.2114510063 7.0835101965 SOLV 658 0.0000000000
|
|
2192 859 TIP3 H1 6.7672706385 34.1150308113 6.8239413207 SOLV 658 0.0000000000
|
|
2193 859 TIP3 H2 5.5266578863 33.2992872247 7.0110344827 SOLV 658 0.0000000000
|
|
2194 860 TIP3 OH2 2.2008665755 27.7050911222 2.0228663274 SOLV 659 0.0000000000
|
|
2195 860 TIP3 H1 2.7073434203 28.2978534029 2.6275231660 SOLV 659 0.0000000000
|
|
2196 860 TIP3 H2 1.3056327668 28.0613825454 2.1115761597 SOLV 659 0.0000000000
|
|
2197 861 TIP3 OH2 7.3786987241 30.9092897434 5.9043057246 SOLV 660 0.0000000000
|
|
2198 861 TIP3 H1 7.1378334014 31.7529095885 6.3477114666 SOLV 660 0.0000000000
|
|
2199 861 TIP3 H2 6.8737106698 30.2849269920 6.4510623787 SOLV 660 0.0000000000
|
|
2200 862 TIP3 OH2 8.2810983469 34.8473176292 13.0232343285 SOLV 661 0.0000000000
|
|
2201 862 TIP3 H1 8.8879374066 35.5850879430 12.8364833485 SOLV 661 0.0000000000
|
|
2202 862 TIP3 H2 8.8748191504 34.2354778877 13.4850956122 SOLV 661 0.0000000000
|
|
2203 863 TIP3 OH2 6.5514943635 35.8296011334 5.9701201577 SOLV 662 0.0000000000
|
|
2204 863 TIP3 H1 5.6407617883 35.8787188031 6.3668720469 SOLV 662 0.0000000000
|
|
2205 863 TIP3 H2 6.9380192702 36.6183663314 6.4014888889 SOLV 662 0.0000000000
|
|
2206 864 TIP3 OH2 11.5175085065 30.9378447603 12.4895006850 SOLV 663 0.0000000000
|
|
2207 864 TIP3 H1 11.2576380059 30.8190147449 13.4336305397 SOLV 663 0.0000000000
|
|
2208 864 TIP3 H2 11.8901923475 30.0727280780 12.2667912406 SOLV 663 0.0000000000
|
|
2209 865 TIP3 OH2 13.8170536700 31.8991841415 2.1637202531 SOLV 664 0.0000000000
|
|
2210 865 TIP3 H1 14.3571556998 31.4314002248 2.8330499781 SOLV 664 0.0000000000
|
|
2211 865 TIP3 H2 12.9307601684 31.7656906276 2.5595106068 SOLV 664 0.0000000000
|
|
2212 866 TIP3 OH2 14.7524406988 35.3558636571 14.9715682836 SOLV 665 0.0000000000
|
|
2213 866 TIP3 H1 13.8919637136 34.8477165289 14.9640567223 SOLV 665 0.0000000000
|
|
2214 866 TIP3 H2 14.6147285107 35.9608313739 14.2202329412 SOLV 665 0.0000000000
|
|
2215 867 TIP3 OH2 18.7932822184 36.6114684692 1.7981571889 SOLV 666 0.0000000000
|
|
2216 867 TIP3 H1 19.4480002605 37.2845391785 2.0709161892 SOLV 666 0.0000000000
|
|
2217 867 TIP3 H2 17.9840526658 37.0573051979 2.1514922996 SOLV 666 0.0000000000
|
|
2218 868 TIP3 OH2 2.7987014034 22.8469744514 14.5626511363 SOLV 667 0.0000000000
|
|
2219 868 TIP3 H1 2.0156440238 22.6858296436 14.0389973815 SOLV 667 0.0000000000
|
|
2220 868 TIP3 H2 2.8707856788 22.0242450331 15.0865292829 SOLV 667 0.0000000000
|
|
2221 869 TIP3 OH2 15.2114459246 30.6790453141 4.0172605649 SOLV 668 0.0000000000
|
|
2222 869 TIP3 H1 14.9913830619 29.7957565442 4.3967942805 SOLV 668 0.0000000000
|
|
2223 869 TIP3 H2 16.1861741920 30.7008171548 4.1416611573 SOLV 668 0.0000000000
|
|
2224 870 TIP3 OH2 2.3919767845 34.5145257198 12.7393315560 SOLV 669 0.0000000000
|
|
2225 870 TIP3 H1 2.9179464804 33.7388320267 12.9538063820 SOLV 669 0.0000000000
|
|
2226 870 TIP3 H2 2.7330297590 35.1655846730 13.3792837417 SOLV 669 0.0000000000
|
|
2227 871 TIP3 OH2 8.2097624592 33.1262595972 0.4088693408 SOLV 670 0.0000000000
|
|
2228 871 TIP3 H1 8.3812066155 32.3327717075 -0.1202110361 SOLV 670 0.0000000000
|
|
2229 871 TIP3 H2 7.4885879047 32.8395569209 1.0051928828 SOLV 670 0.0000000000
|
|
2230 872 TIP3 OH2 6.8641988094 32.3962312682 2.7382607121 SOLV 671 0.0000000000
|
|
2231 872 TIP3 H1 7.2592767408 31.9416627071 3.5036078327 SOLV 671 0.0000000000
|
|
2232 872 TIP3 H2 6.9444405631 33.3346565371 3.0199669977 SOLV 671 0.0000000000
|
|
2233 873 TIP3 OH2 3.4885861186 29.6996506810 3.2768879751 SOLV 672 0.0000000000
|
|
2234 873 TIP3 H1 2.7327031046 30.2060360543 3.6567457784 SOLV 672 0.0000000000
|
|
2235 873 TIP3 H2 3.9937359238 30.4372574491 2.9035745936 SOLV 672 0.0000000000
|
|
2236 874 TIP3 OH2 11.9518875340 21.8738526647 13.5538843549 SOLV 673 0.0000000000
|
|
2237 874 TIP3 H1 12.4652373730 22.3053814672 14.2619549931 SOLV 673 0.0000000000
|
|
2238 874 TIP3 H2 11.4752228237 21.1475819217 14.0085684476 SOLV 673 0.0000000000
|
|
2239 875 TIP3 OH2 12.1917106355 21.6165090201 4.8441868754 SOLV 674 0.0000000000
|
|
2240 875 TIP3 H1 12.5094723463 22.0426698468 4.0280239715 SOLV 674 0.0000000000
|
|
2241 875 TIP3 H2 12.7351047051 22.0852499204 5.5026586819 SOLV 674 0.0000000000
|
|
2242 876 TIP3 OH2 9.8676917333 33.9422924950 3.3459924649 SOLV 675 0.0000000000
|
|
2243 876 TIP3 H1 9.0479084851 34.3557433312 3.6742458045 SOLV 675 0.0000000000
|
|
2244 876 TIP3 H2 9.9472175651 34.3723932799 2.4912594212 SOLV 675 0.0000000000
|
|
2245 877 TIP3 OH2 9.1192423345 23.9204996797 5.4961490101 SOLV 676 0.0000000000
|
|
2246 877 TIP3 H1 9.8092419600 24.6012301250 5.5841241680 SOLV 676 0.0000000000
|
|
2247 877 TIP3 H2 9.0561195325 23.5478340901 6.4022352194 SOLV 676 0.0000000000
|
|
2248 878 TIP3 OH2 10.4515147407 24.8909168339 14.3542403118 SOLV 677 0.0000000000
|
|
2249 878 TIP3 H1 10.2440736413 25.1940416569 15.2594891532 SOLV 677 0.0000000000
|
|
2250 878 TIP3 H2 10.5843573457 23.9433852901 14.4464808412 SOLV 677 0.0000000000
|
|
2251 879 TIP3 OH2 9.9375105775 20.6144803947 6.0860469532 SOLV 678 0.0000000000
|
|
2252 879 TIP3 H1 9.6510317563 21.3754494449 6.6183099504 SOLV 678 0.0000000000
|
|
2253 879 TIP3 H2 10.7785795602 20.9537630378 5.7117613007 SOLV 678 0.0000000000
|
|
2254 880 TIP3 OH2 7.3115097124 34.9759009111 3.5233126852 SOLV 679 0.0000000000
|
|
2255 880 TIP3 H1 7.3346469007 35.8044356473 2.9985172226 SOLV 679 0.0000000000
|
|
2256 880 TIP3 H2 6.9740988381 35.3355329988 4.3771666599 SOLV 679 0.0000000000
|
|
2257 881 TIP3 OH2 6.1176556771 22.1339537032 2.7900590405 SOLV 680 0.0000000000
|
|
2258 881 TIP3 H1 5.8834024475 22.6895412213 3.5481398402 SOLV 680 0.0000000000
|
|
2259 881 TIP3 H2 7.0192180344 21.8598983428 3.0746349842 SOLV 680 0.0000000000
|
|
2260 882 TIP3 OH2 15.9681035416 22.8159227276 15.4270335394 SOLV 681 0.0000000000
|
|
2261 882 TIP3 H1 15.0121967943 23.0319560238 15.3288813915 SOLV 681 0.0000000000
|
|
2262 882 TIP3 H2 16.1232181301 22.2743413079 14.6348522125 SOLV 681 0.0000000000
|
|
2263 883 TIP3 OH2 14.6860789571 26.4987293055 9.3550619323 SOLV 682 0.0000000000
|
|
2264 883 TIP3 H1 13.8436782871 26.0685642358 9.1083914478 SOLV 682 0.0000000000
|
|
2265 883 TIP3 H2 15.1023166481 25.8174682570 9.9155971882 SOLV 682 0.0000000000
|
|
2266 884 TIP3 OH2 4.3704248974 32.0587637417 1.8155442975 SOLV 683 0.0000000000
|
|
2267 884 TIP3 H1 5.1993219871 32.4352927737 2.1992691313 SOLV 683 0.0000000000
|
|
2268 884 TIP3 H2 4.7779614162 31.4113913817 1.2193100356 SOLV 683 0.0000000000
|
|
2269 885 TIP3 OH2 2.6537195226 25.1255436015 1.0968013116 SOLV 684 0.0000000000
|
|
2270 885 TIP3 H1 2.6566125502 26.0552600798 1.4022850544 SOLV 684 0.0000000000
|
|
2271 885 TIP3 H2 1.7985092613 25.1181990826 0.6128702989 SOLV 684 0.0000000000
|
|
2272 886 TIP3 OH2 15.8794522484 36.0174416638 10.9482720479 SOLV 685 0.0000000000
|
|
2273 886 TIP3 H1 15.9252717569 36.6945006957 10.2482818523 SOLV 685 0.0000000000
|
|
2274 886 TIP3 H2 16.8194562025 35.9453271875 11.2285260546 SOLV 685 0.0000000000
|
|
2275 887 TIP3 OH2 3.2929620285 20.0065726593 9.8379326041 SOLV 686 0.0000000000
|
|
2276 887 TIP3 H1 3.3058532950 19.7837055147 8.8781489008 SOLV 686 0.0000000000
|
|
2277 887 TIP3 H2 3.0198654081 19.1164909667 10.1627872551 SOLV 686 0.0000000000
|
|
2278 888 TIP3 OH2 2.0759021210 33.9714345733 5.9965218463 SOLV 687 0.0000000000
|
|
2279 888 TIP3 H1 1.1931909343 33.9740953373 6.3961165188 SOLV 687 0.0000000000
|
|
2280 888 TIP3 H2 1.9002641936 34.4667609331 5.1659326784 SOLV 687 0.0000000000
|
|
2281 889 TIP3 OH2 1.8555703524 36.5448838358 17.6194329179 SOLV 688 0.0000000000
|
|
2282 889 TIP3 H1 2.4291008992 36.5229202832 18.4174135748 SOLV 688 0.0000000000
|
|
2283 889 TIP3 H2 1.8503817336 35.5785483223 17.4096042048 SOLV 688 0.0000000000
|
|
2284 890 TIP3 OH2 5.9612195052 34.9288379921 18.7405011813 SOLV 689 0.0000000000
|
|
2285 890 TIP3 H1 6.7738387989 34.4097864372 18.8807210092 SOLV 689 0.0000000000
|
|
2286 890 TIP3 H2 5.7178688802 34.6514200439 17.8240087834 SOLV 689 0.0000000000
|
|
2287 891 TIP3 OH2 10.0495698544 35.1049768073 0.4368182050 SOLV 690 0.0000000000
|
|
2288 891 TIP3 H1 9.4345352187 34.3517948168 0.3055368983 SOLV 690 0.0000000000
|
|
2289 891 TIP3 H2 10.9065187462 34.7479061316 0.0861185562 SOLV 690 0.0000000000
|
|
2290 892 TIP3 OH2 12.1435840252 33.7738869175 17.8891268285 SOLV 691 0.0000000000
|
|
2291 892 TIP3 H1 12.0559869789 32.8866751475 18.3060081433 SOLV 691 0.0000000000
|
|
2292 892 TIP3 H2 12.9974953799 34.0719058301 18.2717121097 SOLV 691 0.0000000000
|
|
2293 893 TIP3 OH2 14.6436184070 34.6046184790 0.9034471060 SOLV 692 0.0000000000
|
|
2294 893 TIP3 H1 15.1713142150 33.8143646257 1.0821550916 SOLV 692 0.0000000000
|
|
2295 893 TIP3 H2 15.1813070728 35.0801168739 0.2184387287 SOLV 692 0.0000000000
|
|
2296 894 TIP3 OH2 1.5820044860 30.5177036821 18.2400994777 SOLV 693 0.0000000000
|
|
2297 894 TIP3 H1 1.4609502502 29.5452959712 18.1965439863 SOLV 693 0.0000000000
|
|
2298 894 TIP3 H2 0.6819415825 30.7991840939 18.0021552864 SOLV 693 0.0000000000
|
|
2299 895 TIP3 OH2 6.0496794464 29.9756089065 0.4804355840 SOLV 694 0.0000000000
|
|
2300 895 TIP3 H1 6.2890470665 29.4293443486 1.2607596375 SOLV 694 0.0000000000
|
|
2301 895 TIP3 H2 6.9118513997 30.3213956695 0.2349995280 SOLV 694 0.0000000000
|
|
2302 896 TIP3 OH2 8.1629856052 30.4706131063 17.7480131599 SOLV 695 0.0000000000
|
|
2303 896 TIP3 H1 7.9706537319 30.8476719001 16.8706051827 SOLV 695 0.0000000000
|
|
2304 896 TIP3 H2 8.2537010366 29.5057474569 17.5335462881 SOLV 695 0.0000000000
|
|
2305 897 TIP3 OH2 11.3690981006 31.1274375091 0.3975868434 SOLV 696 0.0000000000
|
|
2306 897 TIP3 H1 11.1093422719 31.1628409863 1.3453164692 SOLV 696 0.0000000000
|
|
2307 897 TIP3 H2 12.0406546808 30.4166610849 0.4191558838 SOLV 696 0.0000000000
|
|
2308 898 TIP3 OH2 13.6832463352 30.2788774622 15.6015052328 SOLV 697 0.0000000000
|
|
2309 898 TIP3 H1 14.4085621362 30.8990769765 15.3964433310 SOLV 697 0.0000000000
|
|
2310 898 TIP3 H2 12.9011348462 30.8107719327 15.3821272304 SOLV 697 0.0000000000
|
|
2311 899 TIP3 OH2 1.8126518713 27.7409810083 17.9082414487 SOLV 698 0.0000000000
|
|
2312 899 TIP3 H1 2.5940285746 27.5633853301 17.3672726350 SOLV 698 0.0000000000
|
|
2313 899 TIP3 H2 2.1918002743 27.6731198871 18.8312502769 SOLV 698 0.0000000000
|
|
2314 900 TIP3 OH2 7.0771603377 28.6734943062 2.6737579789 SOLV 699 0.0000000000
|
|
2315 900 TIP3 H1 6.4285298475 28.2685950492 3.2799683415 SOLV 699 0.0000000000
|
|
2316 900 TIP3 H2 7.4165977140 27.8856756263 2.1844776561 SOLV 699 0.0000000000
|
|
2317 901 TIP3 OH2 8.2001641806 26.7470960322 1.2122712344 SOLV 700 0.0000000000
|
|
2318 901 TIP3 H1 8.0830213782 25.9878108347 0.6070055641 SOLV 700 0.0000000000
|
|
2319 901 TIP3 H2 9.1807921565 26.7408374203 1.2600598185 SOLV 700 0.0000000000
|
|
2320 902 TIP3 OH2 11.5152143480 29.1257599829 18.3504486579 SOLV 701 0.0000000000
|
|
2321 902 TIP3 H1 12.2201950724 28.5775511827 17.9456804134 SOLV 701 0.0000000000
|
|
2322 902 TIP3 H2 10.9880738706 28.4451006683 18.8158943246 SOLV 701 0.0000000000
|
|
2323 903 TIP3 OH2 16.9252397418 28.7626451517 50.4137795497 SOLV 702 0.0000000000
|
|
2324 903 TIP3 H1 17.3863840771 28.5163587264 49.5905107909 SOLV 702 0.0000000000
|
|
2325 903 TIP3 H2 17.2797035353 29.6616226281 50.5075068230 SOLV 702 0.0000000000
|
|
2326 904 TIP3 OH2 6.8667906925 24.0526271970 15.8728843872 SOLV 703 0.0000000000
|
|
2327 904 TIP3 H1 6.8631357595 23.4407892324 15.1147199746 SOLV 703 0.0000000000
|
|
2328 904 TIP3 H2 7.0276491261 24.9182605949 15.4188936169 SOLV 703 0.0000000000
|
|
2329 905 TIP3 OH2 7.2762084332 22.1526691990 13.6150331043 SOLV 704 0.0000000000
|
|
2330 905 TIP3 H1 7.8150315175 22.8195050062 13.1321303871 SOLV 704 0.0000000000
|
|
2331 905 TIP3 H2 6.4190785707 22.2512602066 13.1618815576 SOLV 704 0.0000000000
|
|
2332 906 TIP3 OH2 12.7700323896 25.1607633718 18.6165362993 SOLV 705 0.0000000000
|
|
2333 906 TIP3 H1 13.1054877664 24.2598463967 18.6992884099 SOLV 705 0.0000000000
|
|
2334 906 TIP3 H2 13.5430262125 25.6392958909 18.2496781949 SOLV 705 0.0000000000
|
|
2335 907 TIP3 OH2 14.3346395648 28.2655398495 17.3252891730 SOLV 706 0.0000000000
|
|
2336 907 TIP3 H1 14.0179601576 28.9855624995 16.7308037855 SOLV 706 0.0000000000
|
|
2337 907 TIP3 H2 15.2765611395 28.2416682346 17.0695701074 SOLV 706 0.0000000000
|
|
2338 908 TIP3 OH2 5.3514860870 24.4915333229 18.0261292678 SOLV 707 0.0000000000
|
|
2339 908 TIP3 H1 4.4839650928 24.0362158877 17.9539405000 SOLV 707 0.0000000000
|
|
2340 908 TIP3 H2 5.6916335178 24.4310610706 17.1085071492 SOLV 707 0.0000000000
|
|
2341 909 TIP3 OH2 7.7676164962 19.5263926137 14.1914267822 SOLV 708 0.0000000000
|
|
2342 909 TIP3 H1 7.6289633486 20.4913142016 14.0626465668 SOLV 708 0.0000000000
|
|
2343 909 TIP3 H2 7.0280010955 19.1708098514 13.6618941909 SOLV 708 0.0000000000
|
|
2344 910 TIP3 OH2 9.0419591162 23.7253911706 17.7682744177 SOLV 709 0.0000000000
|
|
2345 910 TIP3 H1 8.4299272049 23.4724815875 18.4879948126 SOLV 709 0.0000000000
|
|
2346 910 TIP3 H2 8.4013481153 23.7904036912 17.0234416120 SOLV 709 0.0000000000
|
|
2347 911 TIP3 OH2 11.6485339159 22.9546007025 16.7974102631 SOLV 710 0.0000000000
|
|
2348 911 TIP3 H1 10.7307067131 23.0596624609 17.1483575027 SOLV 710 0.0000000000
|
|
2349 911 TIP3 H2 12.1002544426 22.5259193513 17.5608575229 SOLV 710 0.0000000000
|
|
2350 912 TIP3 OH2 13.2396574265 21.8794025759 18.7298777364 SOLV 711 0.0000000000
|
|
2351 912 TIP3 H1 13.3899735574 20.9067039768 18.6969191407 SOLV 711 0.0000000000
|
|
2352 912 TIP3 H2 13.1856759516 22.0294813749 19.7000465431 SOLV 711 0.0000000000
|
|
2353 913 TIP3 OH2 3.1797145758 22.8297073036 18.1093257430 SOLV 712 0.0000000000
|
|
2354 913 TIP3 H1 2.9919319370 22.0487564952 17.5613307980 SOLV 712 0.0000000000
|
|
2355 913 TIP3 H2 3.1964495604 22.4414173154 19.0139604463 SOLV 712 0.0000000000
|
|
2356 914 TIP3 OH2 7.7155757875 18.9529657559 16.9219935581 SOLV 713 0.0000000000
|
|
2357 914 TIP3 H1 8.3145358969 18.1911563197 17.0011137813 SOLV 713 0.0000000000
|
|
2358 914 TIP3 H2 7.7276794608 19.0349541815 15.9436148216 SOLV 713 0.0000000000
|
|
2359 915 TIP3 OH2 8.3056279057 20.3335988419 19.2393387222 SOLV 714 0.0000000000
|
|
2360 915 TIP3 H1 8.0897875947 19.8587880253 18.3949357974 SOLV 714 0.0000000000
|
|
2361 915 TIP3 H2 7.8459681722 21.1793727139 19.0508267757 SOLV 714 0.0000000000
|
|
2362 916 TIP3 OH2 7.7231500522 37.3480117131 2.3478574792 SOLV 715 0.0000000000
|
|
2363 916 TIP3 H1 8.6829173558 37.4416599597 2.2673035150 SOLV 715 0.0000000000
|
|
2364 916 TIP3 H2 7.3915771779 37.9127009843 1.6362521512 SOLV 715 0.0000000000
|
|
2365 917 TIP3 OH2 1.6854127160 32.4037243344 0.8085620497 SOLV 716 0.0000000000
|
|
2366 917 TIP3 H1 2.5863650844 32.6136772132 1.1366606587 SOLV 716 0.0000000000
|
|
2367 917 TIP3 H2 1.7423109291 31.4496011840 0.7332050404 SOLV 716 0.0000000000
|
|
2368 918 TIP3 OH2 0.5949631290 37.5042666405 6.5736307363 SOLV 717 0.0000000000
|
|
2369 918 TIP3 H1 -0.2064998705 37.2932067282 6.0536352743 SOLV 717 0.0000000000
|
|
2370 918 TIP3 H2 0.6187191832 36.7400278398 7.1683641461 SOLV 717 0.0000000000
|
|
2371 919 TIP3 OH2 1.1216746309 35.4636954768 8.5244380497 SOLV 718 0.0000000000
|
|
2372 919 TIP3 H1 1.1186142474 34.5330363142 8.8513917599 SOLV 718 0.0000000000
|
|
2373 919 TIP3 H2 1.7371893932 35.8568047058 9.1728147046 SOLV 718 0.0000000000
|
|
2374 920 TIP3 OH2 18.5494786796 35.8070170123 11.7595859892 SOLV 719 0.0000000000
|
|
2375 920 TIP3 H1 18.6978781626 35.8287410754 12.7267268820 SOLV 719 0.0000000000
|
|
2376 920 TIP3 H2 19.2187319137 36.4217737507 11.4392780798 SOLV 719 0.0000000000
|
|
2377 921 TIP3 OH2 18.1777586927 35.6793008736 14.5289763840 SOLV 720 0.0000000000
|
|
2378 921 TIP3 H1 17.6056007908 35.0270007693 14.0692029175 SOLV 720 0.0000000000
|
|
2379 921 TIP3 H2 18.5399008898 35.1287022115 15.2512263420 SOLV 720 0.0000000000
|
|
2380 922 TIP3 OH2 16.7494685120 31.7371458425 19.2511088573 SOLV 721 0.0000000000
|
|
2381 922 TIP3 H1 15.8853408224 31.7428766046 19.6959143703 SOLV 721 0.0000000000
|
|
2382 922 TIP3 H2 17.0977392148 32.6081101319 19.4327991075 SOLV 721 0.0000000000
|
|
2383 923 TIP3 OH2 17.8531658504 30.1402197178 4.4827333722 SOLV 722 0.0000000000
|
|
2384 923 TIP3 H1 18.6626206406 30.6678407757 4.6468004120 SOLV 722 0.0000000000
|
|
2385 923 TIP3 H2 17.9023403744 29.4639149028 5.1824406485 SOLV 722 0.0000000000
|
|
2386 924 TIP3 OH2 18.3234984807 28.0133535895 6.3668236622 SOLV 723 0.0000000000
|
|
2387 924 TIP3 H1 17.4646533446 27.5644851366 6.5311721612 SOLV 723 0.0000000000
|
|
2388 924 TIP3 H2 18.7435934899 28.0052815360 7.2482563402 SOLV 723 0.0000000000
|
|
2389 925 TIP3 OH2 18.2670048024 30.8954248928 11.6099611042 SOLV 724 0.0000000000
|
|
2390 925 TIP3 H1 18.8642091092 30.2258437156 11.1983932389 SOLV 724 0.0000000000
|
|
2391 925 TIP3 H2 18.4955284086 31.6720126824 11.0697659213 SOLV 724 0.0000000000
|
|
2392 926 TIP3 OH2 16.4690124223 33.6633500292 13.5167734036 SOLV 725 0.0000000000
|
|
2393 926 TIP3 H1 15.7502427781 34.0712671941 14.0304360383 SOLV 725 0.0000000000
|
|
2394 926 TIP3 H2 16.0443667640 33.5483968377 12.6364469680 SOLV 725 0.0000000000
|
|
2395 927 TIP3 OH2 18.4833083106 27.9331580538 2.6020071181 SOLV 726 0.0000000000
|
|
2396 927 TIP3 H1 17.7932498224 28.0472025624 1.9098235553 SOLV 726 0.0000000000
|
|
2397 927 TIP3 H2 18.3231916629 28.7321998994 3.1359725412 SOLV 726 0.0000000000
|
|
2398 928 TIP3 OH2 16.9667714399 25.2377926763 1.3166365787 SOLV 727 0.0000000000
|
|
2399 928 TIP3 H1 16.2911097210 25.7818226568 0.9044794606 SOLV 727 0.0000000000
|
|
2400 928 TIP3 H2 16.7691187322 24.3590032304 0.9430283209 SOLV 727 0.0000000000
|
|
2401 929 TIP3 OH2 16.0057332792 26.9020470169 7.0079622087 SOLV 728 0.0000000000
|
|
2402 929 TIP3 H1 15.7809703697 26.0671896940 6.5699243633 SOLV 728 0.0000000000
|
|
2403 929 TIP3 H2 15.6736570269 26.7241947027 7.9104972114 SOLV 728 0.0000000000
|
|
2404 930 TIP3 OH2 0.7059727300 28.5741446311 11.1742468916 SOLV 729 0.0000000000
|
|
2405 930 TIP3 H1 1.1446241401 28.6544326505 10.3010935614 SOLV 729 0.0000000000
|
|
2406 930 TIP3 H2 1.5182499383 28.4292271906 11.7106332517 SOLV 729 0.0000000000
|
|
2407 931 TIP3 OH2 17.0727830093 28.6243527679 16.8793224326 SOLV 730 0.0000000000
|
|
2408 931 TIP3 H1 17.6977509917 27.8754849417 16.7923206700 SOLV 730 0.0000000000
|
|
2409 931 TIP3 H2 17.5863248888 29.3784312386 16.5398040066 SOLV 730 0.0000000000
|
|
2410 932 TIP3 OH2 18.4540579079 26.1039412163 16.5904410166 SOLV 731 0.0000000000
|
|
2411 932 TIP3 H1 17.5123252055 25.9842151379 16.8376312212 SOLV 731 0.0000000000
|
|
2412 932 TIP3 H2 18.7925019093 25.1905019490 16.7028281567 SOLV 731 0.0000000000
|
|
2413 933 TIP3 OH2 15.7506464452 22.9873265153 0.4937154812 SOLV 732 0.0000000000
|
|
2414 933 TIP3 H1 16.2330581929 22.2240698940 0.8752367051 SOLV 732 0.0000000000
|
|
2415 933 TIP3 H2 14.8321127397 22.8030075846 0.7545354025 SOLV 732 0.0000000000
|
|
2416 934 TIP3 OH2 15.8295568363 24.5258218342 5.0621980254 SOLV 733 0.0000000000
|
|
2417 934 TIP3 H1 16.0325430273 23.5676479662 5.1607526728 SOLV 733 0.0000000000
|
|
2418 934 TIP3 H2 16.6656492573 24.8234091335 4.6686231016 SOLV 733 0.0000000000
|
|
2419 935 TIP3 OH2 16.2187652015 24.5823551085 10.8058026631 SOLV 734 0.0000000000
|
|
2420 935 TIP3 H1 17.1370233057 24.5191432679 10.4889916087 SOLV 734 0.0000000000
|
|
2421 935 TIP3 H2 16.4058273476 24.8093898055 11.7545648150 SOLV 734 0.0000000000
|
|
2422 936 TIP3 OH2 16.5474363989 25.4115209281 13.3566778087 SOLV 735 0.0000000000
|
|
2423 936 TIP3 H1 15.7246962163 25.7271941687 13.7642005105 SOLV 735 0.0000000000
|
|
2424 936 TIP3 H2 17.0260474023 26.2515376922 13.1544485410 SOLV 735 0.0000000000
|
|
2425 937 TIP3 OH2 0.8130216339 24.4026578917 17.8094913815 SOLV 736 0.0000000000
|
|
2426 937 TIP3 H1 1.6853046330 23.9658207060 17.6752860953 SOLV 736 0.0000000000
|
|
2427 937 TIP3 H2 0.1974160543 23.7224416229 17.4639097956 SOLV 736 0.0000000000
|
|
2428 938 TIP3 OH2 18.5445745214 19.4473710389 18.8491966010 SOLV 737 0.0000000000
|
|
2429 938 TIP3 H1 19.2272721445 18.9158140224 18.4039120462 SOLV 737 0.0000000000
|
|
2430 938 TIP3 H2 18.5066287495 20.2443948966 18.2739604813 SOLV 737 0.0000000000
|
|
2431 939 TIP3 OH2 16.3839720947 21.6610863696 5.3493407988 SOLV 738 0.0000000000
|
|
2432 939 TIP3 H1 16.6249482306 21.3668984433 6.2526013977 SOLV 738 0.0000000000
|
|
2433 939 TIP3 H2 15.8621212801 20.9092332006 5.0037754871 SOLV 738 0.0000000000
|
|
2434 940 TIP3 OH2 1.8126600407 22.1878518597 9.9969701689 SOLV 739 0.0000000000
|
|
2435 940 TIP3 H1 2.3975838390 21.3933616942 9.9826528897 SOLV 739 0.0000000000
|
|
2436 940 TIP3 H2 2.4709332271 22.8712225808 10.1758625449 SOLV 739 0.0000000000
|
|
2437 941 TIP3 OH2 0.1704910175 25.7166835824 10.9359065807 SOLV 740 0.0000000000
|
|
2438 941 TIP3 H1 0.7681508701 25.2006724500 10.3673571088 SOLV 740 0.0000000000
|
|
2439 941 TIP3 H2 0.6066183378 26.5787622426 10.9738982693 SOLV 740 0.0000000000
|
|
2440 942 TIP3 OH2 17.9987084396 21.3009607865 17.0210452408 SOLV 741 0.0000000000
|
|
2441 942 TIP3 H1 17.2237611804 21.8963916925 16.9448363253 SOLV 741 0.0000000000
|
|
2442 942 TIP3 H2 17.8975453622 20.7628447587 16.2054955378 SOLV 741 0.0000000000
|
|
2443 943 TIP3 OH2 17.7342609952 21.5373840617 1.7633347366 SOLV 742 0.0000000000
|
|
2444 943 TIP3 H1 18.1092491260 21.6057168591 0.8495502285 SOLV 742 0.0000000000
|
|
2445 943 TIP3 H2 18.3570296146 22.1028081142 2.2550783524 SOLV 742 0.0000000000
|
|
2446 944 TIP3 OH2 1.5735977675 20.9419024806 4.6857511044 SOLV 743 0.0000000000
|
|
2447 944 TIP3 H1 0.9291492486 20.7132682138 5.3781357841 SOLV 743 0.0000000000
|
|
2448 944 TIP3 H2 1.3795945302 21.8919293886 4.5855612031 SOLV 743 0.0000000000
|
|
2449 945 TIP3 OH2 15.3961463238 36.4056305203 7.0832938267 SOLV 744 0.0000000000
|
|
2450 945 TIP3 H1 16.1371964723 36.4400064529 6.4385843323 SOLV 744 0.0000000000
|
|
2451 945 TIP3 H2 15.6146349653 37.1056471671 7.7182935802 SOLV 744 0.0000000000
|
|
2452 946 TIP3 OH2 0.9001439374 20.1981392945 13.1916488150 SOLV 745 0.0000000000
|
|
2453 946 TIP3 H1 -0.0594238539 20.0980307394 13.3704263406 SOLV 745 0.0000000000
|
|
2454 946 TIP3 H2 0.9037356054 20.6688403259 12.3433790770 SOLV 745 0.0000000000
|
|
2455 947 TIP3 OH2 2.2264910705 33.9498636067 17.2306880845 SOLV 746 0.0000000000
|
|
2456 947 TIP3 H1 2.1247071423 33.1641850286 16.6780663319 SOLV 746 0.0000000000
|
|
2457 947 TIP3 H2 2.2068915728 33.5927245327 18.1444664536 SOLV 746 0.0000000000
|
|
2458 948 TIP3 OH2 5.7357423113 34.8932848619 13.8517660246 SOLV 747 0.0000000000
|
|
2459 948 TIP3 H1 5.6591991951 35.8375188217 13.5602097121 SOLV 747 0.0000000000
|
|
2460 948 TIP3 H2 6.6670666670 34.7478259915 13.5884014124 SOLV 747 0.0000000000
|
|
2461 949 TIP3 OH2 9.5896122430 35.9952232661 16.3863815525 SOLV 748 0.0000000000
|
|
2462 949 TIP3 H1 9.5912815460 35.5323682242 17.2514190870 SOLV 748 0.0000000000
|
|
2463 949 TIP3 H2 10.5418761164 36.2744447394 16.3409411908 SOLV 748 0.0000000000
|
|
2464 950 TIP3 OH2 12.0002202334 37.1716196013 16.2449616465 SOLV 749 0.0000000000
|
|
2465 950 TIP3 H1 12.7525489819 36.9137779812 15.7002903422 SOLV 749 0.0000000000
|
|
2466 950 TIP3 H2 12.4003795600 37.7292882724 16.9471122602 SOLV 749 0.0000000000
|
|
2467 951 TIP3 OH2 17.3358555473 19.6046176367 14.9910024068 SOLV 750 0.0000000000
|
|
2468 951 TIP3 H1 16.5200353546 19.8011103118 14.5167529852 SOLV 750 0.0000000000
|
|
2469 951 TIP3 H2 17.4868242097 18.6629482107 14.7574412981 SOLV 750 0.0000000000
|
|
2470 952 TIP3 OH2 3.0251977970 37.5935649263 13.9517814864 SOLV 751 0.0000000000
|
|
2471 952 TIP3 H1 2.3314051545 38.1495566584 13.5436428523 SOLV 751 0.0000000000
|
|
2472 952 TIP3 H2 3.2045806893 38.0640903034 14.7829040019 SOLV 751 0.0000000000
|
|
2473 953 TIP3 OH2 5.5592017622 37.3663947924 12.9461247351 SOLV 752 0.0000000000
|
|
2474 953 TIP3 H1 4.6147639544 37.4674877161 13.2311195742 SOLV 752 0.0000000000
|
|
2475 953 TIP3 H2 5.5427862066 37.6957783780 12.0357780673 SOLV 752 0.0000000000
|
|
2476 954 TIP3 OH2 10.0548053454 36.9909203422 12.0358570321 SOLV 753 0.0000000000
|
|
2477 954 TIP3 H1 9.4198651051 37.4793387019 11.4757372661 SOLV 753 0.0000000000
|
|
2478 954 TIP3 H2 10.2532489814 37.6440757017 12.7457932413 SOLV 753 0.0000000000
|
|
2479 955 TIP3 OH2 12.2843439573 35.7601621328 13.4275900586 SOLV 754 0.0000000000
|
|
2480 955 TIP3 H1 11.6648056683 35.9724507949 12.7022896399 SOLV 754 0.0000000000
|
|
2481 955 TIP3 H2 12.9865579357 36.4021524103 13.2086447987 SOLV 754 0.0000000000
|
|
2482 956 TIP3 OH2 14.6550830912 37.2674262965 12.9761998153 SOLV 755 0.0000000000
|
|
2483 956 TIP3 H1 14.8936108573 38.1952449860 12.8154111754 SOLV 755 0.0000000000
|
|
2484 956 TIP3 H2 15.0089906240 36.8556681802 12.1573613746 SOLV 755 0.0000000000
|
|
2485 957 TIP3 OH2 2.6996367175 36.2946417748 10.5673768332 SOLV 756 0.0000000000
|
|
2486 957 TIP3 H1 2.3345845188 35.7377683638 11.2851229727 SOLV 756 0.0000000000
|
|
2487 957 TIP3 H2 3.5280449798 35.7915520901 10.3362888650 SOLV 756 0.0000000000
|
|
2488 958 TIP3 OH2 4.7855831926 34.9405417564 9.4404795864 SOLV 757 0.0000000000
|
|
2489 958 TIP3 H1 4.6764497888 34.0279032721 9.7948261090 SOLV 757 0.0000000000
|
|
2490 958 TIP3 H2 5.6943510716 35.1041014457 9.7803454965 SOLV 757 0.0000000000
|
|
2491 959 TIP3 OH2 7.2158313111 35.0839531156 10.4803290287 SOLV 758 0.0000000000
|
|
2492 959 TIP3 H1 7.3596667662 34.1248811437 10.2885655507 SOLV 758 0.0000000000
|
|
2493 959 TIP3 H2 7.5187760596 35.1026194310 11.4115222564 SOLV 758 0.0000000000
|
|
2494 960 TIP3 OH2 10.5845088424 21.1098773834 9.5106832808 SOLV 759 0.0000000000
|
|
2495 960 TIP3 H1 10.1304160386 20.3045832025 9.7772130419 SOLV 759 0.0000000000
|
|
2496 960 TIP3 H2 11.3140104379 20.7433661356 8.9755134353 SOLV 759 0.0000000000
|
|
2497 961 TIP3 OH2 15.5304687408 19.2636677685 9.2335992265 SOLV 760 0.0000000000
|
|
2498 961 TIP3 H1 16.1314633419 19.8168816872 8.6752399495 SOLV 760 0.0000000000
|
|
2499 961 TIP3 H2 14.7092042735 19.7746072477 9.1897005726 SOLV 760 0.0000000000
|
|
2500 962 TIP3 OH2 17.3757941239 20.2280019614 7.5323277777 SOLV 761 0.0000000000
|
|
2501 962 TIP3 H1 17.9953156132 19.6239888537 7.0660658051 SOLV 761 0.0000000000
|
|
2502 962 TIP3 H2 18.0252872717 20.9067739979 7.8584765873 SOLV 761 0.0000000000
|
|
2503 963 TIP3 OH2 3.2328827731 19.3963364178 7.2855627952 SOLV 762 0.0000000000
|
|
2504 963 TIP3 H1 2.3311538275 19.2590578426 6.8952873510 SOLV 762 0.0000000000
|
|
2505 963 TIP3 H2 3.5885537366 18.4815462559 7.1556964514 SOLV 762 0.0000000000
|
|
2506 964 TIP3 OH2 2.0693195111 19.2341235666 2.5326278684 SOLV 763 0.0000000000
|
|
2507 964 TIP3 H1 2.5695242326 19.9195115615 2.0193427142 SOLV 763 0.0000000000
|
|
2508 964 TIP3 H2 1.8842178297 19.7667928968 3.3311864094 SOLV 763 0.0000000000
|
|
2509 965 TIP3 OH2 7.4882957133 19.2805034836 7.3303517423 SOLV 764 0.0000000000
|
|
2510 965 TIP3 H1 8.2026982021 19.6900572961 6.8106237249 SOLV 764 0.0000000000
|
|
2511 965 TIP3 H2 7.8813914511 19.2021469087 8.2134608426 SOLV 764 0.0000000000
|
|
2512 966 TIP3 OH2 12.7325644650 19.6441317187 8.1226176612 SOLV 765 0.0000000000
|
|
2513 966 TIP3 H1 12.8667050529 19.1745356594 7.2865731362 SOLV 765 0.0000000000
|
|
2514 966 TIP3 H2 12.5937618780 18.8794493297 8.7403469427 SOLV 765 0.0000000000
|
|
2515 967 TIP3 OH2 14.4228891506 19.8457254542 4.2702893720 SOLV 766 0.0000000000
|
|
2516 967 TIP3 H1 13.5951895956 20.3429493742 4.1608285596 SOLV 766 0.0000000000
|
|
2517 967 TIP3 H2 14.1144994758 19.0055338644 4.6750774596 SOLV 766 0.0000000000
|
|
2518 968 TIP3 OH2 1.4229240449 35.3507408708 3.7342958980 SOLV 767 0.0000000000
|
|
2519 968 TIP3 H1 1.1800455608 34.9959341968 2.8694475720 SOLV 767 0.0000000000
|
|
2520 968 TIP3 H2 1.7176639365 36.2453496873 3.4752504274 SOLV 767 0.0000000000
|
|
2521 969 TIP3 OH2 3.8097070927 21.0799730196 1.5562695377 SOLV 768 0.0000000000
|
|
2522 969 TIP3 H1 4.2979165756 21.0408203132 0.7287045898 SOLV 768 0.0000000000
|
|
2523 969 TIP3 H2 4.5147129349 21.4110801250 2.1356210287 SOLV 768 0.0000000000
|
|
2524 970 TIP3 OH2 8.7752511718 21.8432517733 3.7518014961 SOLV 769 0.0000000000
|
|
2525 970 TIP3 H1 9.2467516194 21.2360971355 4.3437517279 SOLV 769 0.0000000000
|
|
2526 970 TIP3 H2 8.8446150984 22.6622269027 4.2902689295 SOLV 769 0.0000000000
|
|
2527 971 TIP3 OH2 10.5588319510 37.1856776508 2.1350809810 SOLV 770 0.0000000000
|
|
2528 971 TIP3 H1 11.5399062933 37.0549242192 2.0681198422 SOLV 770 0.0000000000
|
|
2529 971 TIP3 H2 10.2651014598 36.3976788703 1.6303756097 SOLV 770 0.0000000000
|
|
2530 972 TIP3 OH2 17.2371483069 36.2168729009 5.1112735545 SOLV 771 0.0000000000
|
|
2531 972 TIP3 H1 17.0454728033 35.3444732083 4.7022084497 SOLV 771 0.0000000000
|
|
2532 972 TIP3 H2 17.0682069472 36.8269318378 4.3550834692 SOLV 771 0.0000000000
|
|
2533 973 TIP3 OH2 2.9331542608 20.2703523006 16.5599858156 SOLV 772 0.0000000000
|
|
2534 973 TIP3 H1 2.4539631416 19.4366697092 16.6789640956 SOLV 772 0.0000000000
|
|
2535 973 TIP3 H2 3.7154124137 20.1155009455 17.1376526316 SOLV 772 0.0000000000
|
|
2536 974 TIP3 OH2 4.9835468460 19.7123598281 18.4303637928 SOLV 773 0.0000000000
|
|
2537 974 TIP3 H1 5.8307002512 19.4803332300 18.0065516432 SOLV 773 0.0000000000
|
|
2538 974 TIP3 H2 4.6504796463 18.8139235100 18.6531912688 SOLV 773 0.0000000000
|
|
2539 975 TIP3 OH2 3.2470361824 36.2560837615 0.7747245713 SOLV 774 0.0000000000
|
|
2540 975 TIP3 H1 2.7458707151 36.9434611687 1.2571710810 SOLV 774 0.0000000000
|
|
2541 975 TIP3 H2 3.7774334466 35.8994428204 1.4987197569 SOLV 774 0.0000000000
|
|
2542 976 TIP3 OH2 13.4285114955 19.1490670239 18.7601961045 SOLV 775 0.0000000000
|
|
2543 976 TIP3 H1 13.3527515003 18.6437919954 19.6053047181 SOLV 775 0.0000000000
|
|
2544 976 TIP3 H2 14.2870816290 18.8003860061 18.4364144088 SOLV 775 0.0000000000
|
|
2545 977 TIP3 OH2 16.2142661074 34.8627082618 17.1913377630 SOLV 776 0.0000000000
|
|
2546 977 TIP3 H1 15.6350489161 34.8947792560 16.3969108057 SOLV 776 0.0000000000
|
|
2547 977 TIP3 H2 16.2107277350 35.8024534865 17.4534913277 SOLV 776 0.0000000000
|
|
2548 978 TIP3 OH2 31.2024449248 28.9949209916 6.7465194388 SOLV 777 0.0000000000
|
|
2549 978 TIP3 H1 30.9775995146 29.9474029270 6.6218179398 SOLV 777 0.0000000000
|
|
2550 978 TIP3 H2 30.3964118445 28.5928837032 6.3664245896 SOLV 777 0.0000000000
|
|
2551 979 TIP3 OH2 29.9993169942 27.9997273604 10.8816137392 SOLV 778 0.0000000000
|
|
2552 979 TIP3 H1 30.3646334330 27.2900096702 11.4647842986 SOLV 778 0.0000000000
|
|
2553 979 TIP3 H2 29.2846440779 27.4840823125 10.4583724926 SOLV 778 0.0000000000
|
|
2554 980 TIP3 OH2 21.9140406497 27.5331320372 11.9503473897 SOLV 779 0.0000000000
|
|
2555 980 TIP3 H1 21.9811177281 26.8616567124 12.6568296426 SOLV 779 0.0000000000
|
|
2556 980 TIP3 H2 22.8483118249 27.7558580026 11.8045573113 SOLV 779 0.0000000000
|
|
2557 981 TIP3 OH2 33.5616182970 31.0735739504 9.0362075066 SOLV 780 0.0000000000
|
|
2558 981 TIP3 H1 33.3692856229 30.2670629942 9.5639196168 SOLV 780 0.0000000000
|
|
2559 981 TIP3 H2 33.7172172661 31.7308451847 9.7356418801 SOLV 780 0.0000000000
|
|
2560 982 TIP3 OH2 23.4516422301 32.4027923266 10.4072719509 SOLV 781 0.0000000000
|
|
2561 982 TIP3 H1 23.0748281620 31.5562344476 10.0963352572 SOLV 781 0.0000000000
|
|
2562 982 TIP3 H2 24.4078039167 32.2313337819 10.2711886814 SOLV 781 0.0000000000
|
|
2563 983 TIP3 OH2 19.8192661542 25.5570834050 5.8634868134 SOLV 782 0.0000000000
|
|
2564 983 TIP3 H1 19.6591337001 26.4643918797 6.1417312721 SOLV 782 0.0000000000
|
|
2565 983 TIP3 H2 19.3295868635 25.5356815712 5.0287509857 SOLV 782 0.0000000000
|
|
2566 984 TIP3 OH2 20.2468685771 27.8394214126 8.5714499229 SOLV 783 0.0000000000
|
|
2567 984 TIP3 H1 20.6851556754 26.9591737552 8.6219551282 SOLV 783 0.0000000000
|
|
2568 984 TIP3 H2 20.9786730302 28.4381479796 8.3484190640 SOLV 783 0.0000000000
|
|
2569 985 TIP3 OH2 30.9012156310 36.2461176103 9.3748799243 SOLV 784 0.0000000000
|
|
2570 985 TIP3 H1 31.3192093933 35.7022460814 8.6761112717 SOLV 784 0.0000000000
|
|
2571 985 TIP3 H2 30.4969481522 35.5712048401 9.9253865935 SOLV 784 0.0000000000
|
|
2572 986 TIP3 OH2 28.1453988940 30.9909279866 10.9112018742 SOLV 785 0.0000000000
|
|
2573 986 TIP3 H1 28.4568175893 30.2232611344 10.4119336748 SOLV 785 0.0000000000
|
|
2574 986 TIP3 H2 28.9432497592 31.1982250456 11.4437985723 SOLV 785 0.0000000000
|
|
2575 987 TIP3 OH2 36.7886772415 22.1951578903 11.7821092145 SOLV 786 0.0000000000
|
|
2576 987 TIP3 H1 37.0326751965 22.9422735835 12.3697135674 SOLV 786 0.0000000000
|
|
2577 987 TIP3 H2 37.3835773241 22.3676205350 11.0407695398 SOLV 786 0.0000000000
|
|
2578 988 TIP3 OH2 24.6229366833 22.8992172540 8.3133413260 SOLV 787 0.0000000000
|
|
2579 988 TIP3 H1 24.7310906395 23.7195515656 7.7880467897 SOLV 787 0.0000000000
|
|
2580 988 TIP3 H2 24.0884935767 22.3458618556 7.6959865536 SOLV 787 0.0000000000
|
|
2581 989 TIP3 OH2 32.5584130480 23.1269897262 6.4860230466 SOLV 788 0.0000000000
|
|
2582 989 TIP3 H1 32.8123685209 22.8961911249 7.3980856403 SOLV 788 0.0000000000
|
|
2583 989 TIP3 H2 33.2535039270 23.7632138119 6.2509222383 SOLV 788 0.0000000000
|
|
2584 990 TIP3 OH2 21.1316428867 25.3699089378 9.0911126537 SOLV 789 0.0000000000
|
|
2585 990 TIP3 H1 21.8104957172 25.0960206294 9.7269237270 SOLV 789 0.0000000000
|
|
2586 990 TIP3 H2 21.4722483926 24.9851207506 8.2585778520 SOLV 789 0.0000000000
|
|
2587 991 TIP3 OH2 25.9610225921 27.0498883749 8.9295525943 SOLV 790 0.0000000000
|
|
2588 991 TIP3 H1 26.8018031391 26.5929327154 9.1503852070 SOLV 790 0.0000000000
|
|
2589 991 TIP3 H2 25.5482522552 26.3576411624 8.3711031723 SOLV 790 0.0000000000
|
|
2590 992 TIP3 OH2 37.5272580879 23.8264049265 13.9991962546 SOLV 791 0.0000000000
|
|
2591 992 TIP3 H1 36.7514005547 24.4132217622 13.8343600818 SOLV 791 0.0000000000
|
|
2592 992 TIP3 H2 37.3992147282 23.6309269993 14.9434776259 SOLV 791 0.0000000000
|
|
2593 993 TIP3 OH2 23.6362123100 22.0569563763 12.5188258452 SOLV 792 0.0000000000
|
|
2594 993 TIP3 H1 23.3434801963 22.5611283907 11.7195633729 SOLV 792 0.0000000000
|
|
2595 993 TIP3 H2 22.8628967833 22.2297108851 13.0939475197 SOLV 792 0.0000000000
|
|
2596 994 TIP3 OH2 30.4286625390 31.4591838425 5.8760346791 SOLV 793 0.0000000000
|
|
2597 994 TIP3 H1 30.4174499890 31.6004211639 4.9110837003 SOLV 793 0.0000000000
|
|
2598 994 TIP3 H2 29.9420333876 32.2521212475 6.1827055498 SOLV 793 0.0000000000
|
|
2599 995 TIP3 OH2 25.9841626508 29.9325008758 12.2257093289 SOLV 794 0.0000000000
|
|
2600 995 TIP3 H1 25.5041160054 30.6704227970 12.6622581051 SOLV 794 0.0000000000
|
|
2601 995 TIP3 H2 26.6491598773 30.4273020217 11.7204646730 SOLV 794 0.0000000000
|
|
2602 996 TIP3 OH2 33.5781325694 23.0753515432 9.1770745838 SOLV 795 0.0000000000
|
|
2603 996 TIP3 H1 33.0176095280 23.0663464415 9.9853707311 SOLV 795 0.0000000000
|
|
2604 996 TIP3 H2 34.3192675557 23.5778202199 9.5661378869 SOLV 795 0.0000000000
|
|
2605 997 TIP3 OH2 23.2340894812 23.8324816541 10.4616555921 SOLV 796 0.0000000000
|
|
2606 997 TIP3 H1 23.8231184670 24.4628842571 10.9385862748 SOLV 796 0.0000000000
|
|
2607 997 TIP3 H2 23.8063032226 23.5194998794 9.7187117877 SOLV 796 0.0000000000
|
|
2608 998 TIP3 OH2 24.5728707850 32.0062332904 13.4422299726 SOLV 797 0.0000000000
|
|
2609 998 TIP3 H1 24.4989104535 32.9744196710 13.4420537304 SOLV 797 0.0000000000
|
|
2610 998 TIP3 H2 23.6509596755 31.7498471889 13.6796855945 SOLV 797 0.0000000000
|
|
2611 999 TIP3 OH2 20.3359820529 31.4663850002 4.3629798951 SOLV 798 0.0000000000
|
|
2612 999 TIP3 H1 20.3020118604 31.9110505564 3.4963493998 SOLV 798 0.0000000000
|
|
2613 999 TIP3 H2 20.2811038192 32.2348098671 4.9589976683 SOLV 798 0.0000000000
|
|
2614 1000 TIP3 OH2 34.0843848989 33.3204287234 11.1593264016 SOLV 799 0.0000000000
|
|
2615 1000 TIP3 H1 33.1092546440 33.3818912632 11.2688137250 SOLV 799 0.0000000000
|
|
2616 1000 TIP3 H2 34.2650636207 34.2431453186 10.8980198231 SOLV 799 0.0000000000
|
|
2617 1001 TIP3 OH2 34.7269728210 20.9658587370 13.2610860729 SOLV 800 0.0000000000
|
|
2618 1001 TIP3 H1 33.9244050835 21.4829467362 12.9907802047 SOLV 800 0.0000000000
|
|
2619 1001 TIP3 H2 35.3276036931 21.3771730331 12.5966485680 SOLV 800 0.0000000000
|
|
2620 1002 TIP3 OH2 27.0511469307 19.0799658817 9.9957857238 SOLV 801 0.0000000000
|
|
2621 1002 TIP3 H1 26.7255693603 18.1678964573 9.8944873175 SOLV 801 0.0000000000
|
|
2622 1002 TIP3 H2 26.2180614069 19.5138439322 10.3038422061 SOLV 801 0.0000000000
|
|
2623 1003 TIP3 OH2 32.1928001776 34.9370956967 7.1842325771 SOLV 802 0.0000000000
|
|
2624 1003 TIP3 H1 32.6088627827 34.0540052714 7.0504245982 SOLV 802 0.0000000000
|
|
2625 1003 TIP3 H2 33.0232016187 35.4799084732 7.1703093312 SOLV 802 0.0000000000
|
|
2626 1004 TIP3 OH2 33.6096734630 32.7085522448 6.5630872776 SOLV 803 0.0000000000
|
|
2627 1004 TIP3 H1 33.5757113121 32.0885690410 5.8077772996 SOLV 803 0.0000000000
|
|
2628 1004 TIP3 H2 33.5744500429 32.0861504309 7.3179436729 SOLV 803 0.0000000000
|
|
2629 1005 TIP3 OH2 35.1258939053 31.2783346850 14.6586845286 SOLV 804 0.0000000000
|
|
2630 1005 TIP3 H1 35.1574825171 30.6142503015 13.9432945912 SOLV 804 0.0000000000
|
|
2631 1005 TIP3 H2 35.2804888901 32.1059278435 14.1377375735 SOLV 804 0.0000000000
|
|
2632 1006 TIP3 OH2 29.7036102712 28.0152051317 4.5202722593 SOLV 805 0.0000000000
|
|
2633 1006 TIP3 H1 29.1463050768 28.7566829651 4.2131262572 SOLV 805 0.0000000000
|
|
2634 1006 TIP3 H2 30.4329098713 27.9904608149 3.8584115214 SOLV 805 0.0000000000
|
|
2635 1007 TIP3 OH2 29.8969929652 26.7289609370 0.9474559151 SOLV 806 0.0000000000
|
|
2636 1007 TIP3 H1 30.7112223491 26.9470155550 1.4618633205 SOLV 806 0.0000000000
|
|
2637 1007 TIP3 H2 30.3236206028 26.1266729844 0.2745822269 SOLV 806 0.0000000000
|
|
2638 1008 TIP3 OH2 36.8494653388 27.7669130655 12.8260061568 SOLV 807 0.0000000000
|
|
2639 1008 TIP3 H1 36.1112828335 28.4287376283 12.8086173548 SOLV 807 0.0000000000
|
|
2640 1008 TIP3 H2 37.3808963102 28.0726724703 12.0518061362 SOLV 807 0.0000000000
|
|
2641 1009 TIP3 OH2 33.4281318144 28.2555281435 5.3480116555 SOLV 808 0.0000000000
|
|
2642 1009 TIP3 H1 32.6417688167 28.5146362319 5.8773517259 SOLV 808 0.0000000000
|
|
2643 1009 TIP3 H2 33.9630909993 27.8020554121 6.0459018800 SOLV 808 0.0000000000
|
|
2644 1010 TIP3 OH2 33.1160382455 26.3831442999 14.3875609098 SOLV 809 0.0000000000
|
|
2645 1010 TIP3 H1 32.8844332889 26.9989444729 15.1062486859 SOLV 809 0.0000000000
|
|
2646 1010 TIP3 H2 32.3353497414 26.4364993505 13.8199878264 SOLV 809 0.0000000000
|
|
2647 1011 TIP3 OH2 24.6168806537 28.8845987461 7.3481838034 SOLV 810 0.0000000000
|
|
2648 1011 TIP3 H1 24.3891601022 28.5003343175 6.4638789893 SOLV 810 0.0000000000
|
|
2649 1011 TIP3 H2 25.1743351253 28.1895479563 7.7519500214 SOLV 810 0.0000000000
|
|
2650 1012 TIP3 OH2 26.1340151679 32.4708441909 9.8804152646 SOLV 811 0.0000000000
|
|
2651 1012 TIP3 H1 26.2923472856 32.4490231233 8.9179170452 SOLV 811 0.0000000000
|
|
2652 1012 TIP3 H2 26.8956728317 31.9894474175 10.2627810172 SOLV 811 0.0000000000
|
|
2653 1013 TIP3 OH2 24.6298522471 27.8384380823 11.1406257190 SOLV 812 0.0000000000
|
|
2654 1013 TIP3 H1 25.0847786725 27.6763591146 10.2789870114 SOLV 812 0.0000000000
|
|
2655 1013 TIP3 H2 25.2490590097 28.4561215819 11.5981299128 SOLV 812 0.0000000000
|
|
2656 1014 TIP3 OH2 31.5670083792 33.5446778786 11.8825294052 SOLV 813 0.0000000000
|
|
2657 1014 TIP3 H1 31.3123239518 34.0211479387 12.6976442326 SOLV 813 0.0000000000
|
|
2658 1014 TIP3 H2 31.0759276884 32.7060210934 11.9635761559 SOLV 813 0.0000000000
|
|
2659 1015 TIP3 OH2 26.0538063169 32.1871234248 15.7822655810 SOLV 814 0.0000000000
|
|
2660 1015 TIP3 H1 25.2593784610 32.6112951354 16.1974147237 SOLV 814 0.0000000000
|
|
2661 1015 TIP3 H2 25.7011452751 32.0121569767 14.8892300404 SOLV 814 0.0000000000
|
|
2662 1016 TIP3 OH2 31.8945225223 27.6141826528 2.9943399697 SOLV 815 0.0000000000
|
|
2663 1016 TIP3 H1 32.4856791033 27.9143844378 3.7206735006 SOLV 815 0.0000000000
|
|
2664 1016 TIP3 H2 32.3989516518 27.9481647949 2.2107449644 SOLV 815 0.0000000000
|
|
2665 1017 TIP3 OH2 22.8242984253 27.9865187239 15.3239165422 SOLV 816 0.0000000000
|
|
2666 1017 TIP3 H1 22.9195219225 28.8133588350 15.8479399810 SOLV 816 0.0000000000
|
|
2667 1017 TIP3 H2 21.8639765636 27.9931283002 15.1718270741 SOLV 816 0.0000000000
|
|
2668 1018 TIP3 OH2 29.5010072697 33.9760430937 6.4577362998 SOLV 817 0.0000000000
|
|
2669 1018 TIP3 H1 30.3816159427 34.2417290259 6.7530062468 SOLV 817 0.0000000000
|
|
2670 1018 TIP3 H2 29.2172816682 34.7287547113 5.9147419738 SOLV 817 0.0000000000
|
|
2671 1019 TIP3 OH2 24.0561149198 33.7009172670 16.4923032914 SOLV 818 0.0000000000
|
|
2672 1019 TIP3 H1 24.2100097120 34.2358088760 15.6870865172 SOLV 818 0.0000000000
|
|
2673 1019 TIP3 H2 23.0768037236 33.7377841621 16.5736834057 SOLV 818 0.0000000000
|
|
2674 1020 TIP3 OH2 35.7155136401 19.2247205643 3.1943112927 SOLV 819 0.0000000000
|
|
2675 1020 TIP3 H1 34.7536591044 19.3792701124 3.2899923169 SOLV 819 0.0000000000
|
|
2676 1020 TIP3 H2 36.0032812153 20.0591896435 2.7652128127 SOLV 819 0.0000000000
|
|
2677 1021 TIP3 OH2 23.6306469539 27.9764643122 5.0596570953 SOLV 820 0.0000000000
|
|
2678 1021 TIP3 H1 23.2145639835 28.7002843849 4.5308283415 SOLV 820 0.0000000000
|
|
2679 1021 TIP3 H2 23.4219885685 27.2023874028 4.5209245301 SOLV 820 0.0000000000
|
|
2680 1022 TIP3 OH2 36.8466674366 33.8998405480 1.6457969835 SOLV 821 0.0000000000
|
|
2681 1022 TIP3 H1 37.1808833202 34.8063779033 1.6399999759 SOLV 821 0.0000000000
|
|
2682 1022 TIP3 H2 37.6693094001 33.3745341641 1.5950789552 SOLV 821 0.0000000000
|
|
2683 1023 TIP3 OH2 19.6389696201 30.3940671202 14.0886092780 SOLV 822 0.0000000000
|
|
2684 1023 TIP3 H1 19.2302573626 30.5855023010 13.2287255508 SOLV 822 0.0000000000
|
|
2685 1023 TIP3 H2 20.0363447573 29.5181535360 13.9073505371 SOLV 822 0.0000000000
|
|
2686 1024 TIP3 OH2 19.7630640587 33.1171363883 10.4340901821 SOLV 823 0.0000000000
|
|
2687 1024 TIP3 H1 20.7011310233 33.2396074735 10.6560450859 SOLV 823 0.0000000000
|
|
2688 1024 TIP3 H2 19.3388960028 33.7603648264 11.0214602048 SOLV 823 0.0000000000
|
|
2689 1025 TIP3 OH2 37.4820614244 34.0325617552 16.5741519452 SOLV 824 0.0000000000
|
|
2690 1025 TIP3 H1 37.4704479307 33.0538236342 16.5738814582 SOLV 824 0.0000000000
|
|
2691 1025 TIP3 H2 36.5619749914 34.2256134391 16.8611094914 SOLV 824 0.0000000000
|
|
2692 1026 TIP3 OH2 28.4591837418 33.4807576551 15.1594914758 SOLV 825 0.0000000000
|
|
2693 1026 TIP3 H1 28.4445399235 34.3828973603 15.5500508765 SOLV 825 0.0000000000
|
|
2694 1026 TIP3 H2 27.5735814692 33.1255894417 15.4104188322 SOLV 825 0.0000000000
|
|
2695 1027 TIP3 OH2 29.2413609863 37.0128604414 4.7986824827 SOLV 826 0.0000000000
|
|
2696 1027 TIP3 H1 29.1367850055 37.1566012523 3.8309584085 SOLV 826 0.0000000000
|
|
2697 1027 TIP3 H2 29.0793514669 37.8999154205 5.1809942248 SOLV 826 0.0000000000
|
|
2698 1028 TIP3 OH2 22.8430110749 35.7225753791 6.9462588708 SOLV 827 0.0000000000
|
|
2699 1028 TIP3 H1 22.9612816849 35.3344130607 7.8392337460 SOLV 827 0.0000000000
|
|
2700 1028 TIP3 H2 22.2662042849 35.0535383005 6.5222950759 SOLV 827 0.0000000000
|
|
2701 1029 TIP3 OH2 31.9627107077 36.5380611254 2.1839418370 SOLV 828 0.0000000000
|
|
2702 1029 TIP3 H1 32.5379652662 35.8228714576 1.8305457099 SOLV 828 0.0000000000
|
|
2703 1029 TIP3 H2 32.0963742801 36.4291845817 3.1488745408 SOLV 828 0.0000000000
|
|
2704 1030 TIP3 OH2 31.9129167752 36.4091715799 4.8984508039 SOLV 829 0.0000000000
|
|
2705 1030 TIP3 H1 30.9573292578 36.5818576031 4.9962964187 SOLV 829 0.0000000000
|
|
2706 1030 TIP3 H2 32.0539533585 35.6879319753 5.5481404942 SOLV 829 0.0000000000
|
|
2707 1031 TIP3 OH2 34.7089153675 25.1988970076 16.8923937010 SOLV 830 0.0000000000
|
|
2708 1031 TIP3 H1 33.9905743395 25.3789177135 16.2363115822 SOLV 830 0.0000000000
|
|
2709 1031 TIP3 H2 34.7965626188 24.2422147624 16.7859274222 SOLV 830 0.0000000000
|
|
2710 1032 TIP3 OH2 22.0712612782 31.7779563761 14.4372160327 SOLV 831 0.0000000000
|
|
2711 1032 TIP3 H1 22.1951996021 31.5892245555 15.3863429794 SOLV 831 0.0000000000
|
|
2712 1032 TIP3 H2 21.2094101838 31.3509596344 14.2686784387 SOLV 831 0.0000000000
|
|
2713 1033 TIP3 OH2 24.7632197373 20.1216810011 10.9522042715 SOLV 832 0.0000000000
|
|
2714 1033 TIP3 H1 23.9420290195 19.9559600308 10.4401744424 SOLV 832 0.0000000000
|
|
2715 1033 TIP3 H2 24.4607570122 20.8456219029 11.5360254995 SOLV 832 0.0000000000
|
|
2716 1034 TIP3 OH2 29.1755797682 19.5556292730 14.1240195441 SOLV 833 0.0000000000
|
|
2717 1034 TIP3 H1 29.6978219822 19.4261433169 14.9346073961 SOLV 833 0.0000000000
|
|
2718 1034 TIP3 H2 28.2673055269 19.7490552171 14.4456010857 SOLV 833 0.0000000000
|
|
2719 1035 TIP3 OH2 32.4140133040 23.8522842512 15.5398543669 SOLV 834 0.0000000000
|
|
2720 1035 TIP3 H1 31.6660058723 23.4244287778 16.0092977339 SOLV 834 0.0000000000
|
|
2721 1035 TIP3 H2 32.2643316443 23.5978595410 14.6055096422 SOLV 834 0.0000000000
|
|
2722 1036 TIP3 OH2 33.0818065972 28.4872239394 0.8427947046 SOLV 835 0.0000000000
|
|
2723 1036 TIP3 H1 32.8612973370 28.5137594825 -0.1184216695 SOLV 835 0.0000000000
|
|
2724 1036 TIP3 H2 34.0130503890 28.7715341055 0.7774606048 SOLV 835 0.0000000000
|
|
2725 1037 TIP3 OH2 28.8527929650 22.6839381435 1.2860480764 SOLV 836 0.0000000000
|
|
2726 1037 TIP3 H1 28.3494830117 22.3863237556 2.0775808256 SOLV 836 0.0000000000
|
|
2727 1037 TIP3 H2 29.1180560555 21.8067356510 0.9502034385 SOLV 836 0.0000000000
|
|
2728 1038 TIP3 OH2 24.7763612689 25.3418363399 12.1232625211 SOLV 837 0.0000000000
|
|
2729 1038 TIP3 H1 24.0335954675 25.3372590446 12.7525517379 SOLV 837 0.0000000000
|
|
2730 1038 TIP3 H2 24.8097994896 26.2930592618 11.8779729470 SOLV 837 0.0000000000
|
|
2731 1039 TIP3 OH2 24.7488643694 25.3691277292 7.2398009586 SOLV 838 0.0000000000
|
|
2732 1039 TIP3 H1 23.7795152150 25.3348391430 7.0850110313 SOLV 838 0.0000000000
|
|
2733 1039 TIP3 H2 25.0759248175 25.1977049661 6.3368720764 SOLV 838 0.0000000000
|
|
2734 1040 TIP3 OH2 30.4496731541 25.6809074254 5.6501226148 SOLV 839 0.0000000000
|
|
2735 1040 TIP3 H1 30.1627307867 26.5605879704 5.3066296259 SOLV 839 0.0000000000
|
|
2736 1040 TIP3 H2 30.9797895314 25.3452873962 4.8976667415 SOLV 839 0.0000000000
|
|
2737 1041 TIP3 OH2 29.0232439815 26.1050063057 17.3486678014 SOLV 840 0.0000000000
|
|
2738 1041 TIP3 H1 28.6837750847 25.2291024563 17.6025168764 SOLV 840 0.0000000000
|
|
2739 1041 TIP3 H2 29.9070856745 26.0857413698 17.7772582376 SOLV 840 0.0000000000
|
|
2740 1042 TIP3 OH2 30.8517977914 25.4090705773 8.3969295035 SOLV 841 0.0000000000
|
|
2741 1042 TIP3 H1 30.6772015591 25.4866555590 7.4373950460 SOLV 841 0.0000000000
|
|
2742 1042 TIP3 H2 31.1546691285 24.4956133260 8.4525788407 SOLV 841 0.0000000000
|
|
2743 1043 TIP3 OH2 22.5454078167 25.3548101536 13.5473348695 SOLV 842 0.0000000000
|
|
2744 1043 TIP3 H1 22.7997177871 25.7178422866 14.4144274870 SOLV 842 0.0000000000
|
|
2745 1043 TIP3 H2 22.0804133021 24.5246542537 13.8088756983 SOLV 842 0.0000000000
|
|
2746 1044 TIP3 OH2 24.9865446212 22.7488562322 0.2648306663 SOLV 843 0.0000000000
|
|
2747 1044 TIP3 H1 24.9285624209 22.5413634445 1.2268126738 SOLV 843 0.0000000000
|
|
2748 1044 TIP3 H2 24.6460817127 23.6696548446 0.2234153540 SOLV 843 0.0000000000
|
|
2749 1045 TIP3 OH2 19.1114426926 22.2555222562 7.8311577701 SOLV 844 0.0000000000
|
|
2750 1045 TIP3 H1 19.7517100011 22.2328224708 8.5805118678 SOLV 844 0.0000000000
|
|
2751 1045 TIP3 H2 19.6543721557 22.4784933753 7.0638419668 SOLV 844 0.0000000000
|
|
2752 1046 TIP3 OH2 19.6711292578 23.2212237149 3.0306360680 SOLV 845 0.0000000000
|
|
2753 1046 TIP3 H1 20.4771990817 23.5085497719 2.5579884662 SOLV 845 0.0000000000
|
|
2754 1046 TIP3 H2 19.2045979797 24.0622321910 3.1772754989 SOLV 845 0.0000000000
|
|
2755 1047 TIP3 OH2 30.7499575976 25.7965946131 12.4201651737 SOLV 846 0.0000000000
|
|
2756 1047 TIP3 H1 31.4053908798 25.0626360859 12.4859821950 SOLV 846 0.0000000000
|
|
2757 1047 TIP3 H2 30.0792335743 25.5329910218 13.0851895517 SOLV 846 0.0000000000
|
|
2758 1048 TIP3 OH2 27.6768168040 23.0426048272 8.0624723616 SOLV 847 0.0000000000
|
|
2759 1048 TIP3 H1 26.7686750712 22.8440722801 8.3203094184 SOLV 847 0.0000000000
|
|
2760 1048 TIP3 H2 28.1322889381 22.2133237857 8.3410364350 SOLV 847 0.0000000000
|
|
2761 1049 TIP3 OH2 22.2006538161 24.5062091534 6.7773015013 SOLV 848 0.0000000000
|
|
2762 1049 TIP3 H1 21.4122584927 24.8548586372 6.2919311677 SOLV 848 0.0000000000
|
|
2763 1049 TIP3 H2 22.2797759717 23.5939301405 6.4359070781 SOLV 848 0.0000000000
|
|
2764 1050 TIP3 OH2 25.4177918557 24.3284183974 4.7122197043 SOLV 849 0.0000000000
|
|
2765 1050 TIP3 H1 26.4030934120 24.3083243470 4.7952272594 SOLV 849 0.0000000000
|
|
2766 1050 TIP3 H2 25.2520142484 25.0716096581 4.1099259720 SOLV 849 0.0000000000
|
|
2767 1051 TIP3 OH2 24.2466817205 26.2035108983 2.8553856619 SOLV 850 0.0000000000
|
|
2768 1051 TIP3 H1 23.5737702820 25.5604734586 2.5733423276 SOLV 850 0.0000000000
|
|
2769 1051 TIP3 H2 24.9267499820 26.0791563132 2.1724394336 SOLV 850 0.0000000000
|
|
2770 1052 TIP3 OH2 34.9563183036 37.6316117210 17.6713973739 SOLV 851 0.0000000000
|
|
2771 1052 TIP3 H1 35.1747584579 38.0734112904 16.8288173803 SOLV 851 0.0000000000
|
|
2772 1052 TIP3 H2 35.7270604136 37.9721029365 18.1953154154 SOLV 851 0.0000000000
|
|
2773 1053 TIP3 OH2 22.7522108652 30.3163728072 16.9456420834 SOLV 852 0.0000000000
|
|
2774 1053 TIP3 H1 23.3133596502 30.7706275482 17.6034523603 SOLV 852 0.0000000000
|
|
2775 1053 TIP3 H2 21.8909651422 30.3277108686 17.4231546904 SOLV 852 0.0000000000
|
|
2776 1054 TIP3 OH2 28.4826647342 25.9284324509 9.8718201706 SOLV 853 0.0000000000
|
|
2777 1054 TIP3 H1 29.2780838080 25.8277802005 9.3147427399 SOLV 853 0.0000000000
|
|
2778 1054 TIP3 H2 28.5257047467 25.0977899374 10.3492233333 SOLV 853 0.0000000000
|
|
2779 1055 TIP3 OH2 23.0040804360 21.7797762104 6.4733653913 SOLV 854 0.0000000000
|
|
2780 1055 TIP3 H1 22.5046822431 20.9613637709 6.7025592494 SOLV 854 0.0000000000
|
|
2781 1055 TIP3 H2 23.6419000785 21.4420911940 5.8345468440 SOLV 854 0.0000000000
|
|
2782 1056 TIP3 OH2 27.1258320590 24.0948247729 12.5941371712 SOLV 855 0.0000000000
|
|
2783 1056 TIP3 H1 26.3758671811 24.7267655888 12.5029236691 SOLV 855 0.0000000000
|
|
2784 1056 TIP3 H2 27.8448033305 24.6635626876 12.9242036205 SOLV 855 0.0000000000
|
|
2785 1057 TIP3 OH2 27.9771889045 30.0797217180 3.8471981647 SOLV 856 0.0000000000
|
|
2786 1057 TIP3 H1 27.2509385530 29.6719118638 3.3298370438 SOLV 856 0.0000000000
|
|
2787 1057 TIP3 H2 27.4583068892 30.3302719786 4.6429890835 SOLV 856 0.0000000000
|
|
2788 1058 TIP3 OH2 34.9149136589 29.6000702203 12.5137369503 SOLV 857 0.0000000000
|
|
2789 1058 TIP3 H1 35.5137648644 30.0154378830 11.8671305954 SOLV 857 0.0000000000
|
|
2790 1058 TIP3 H2 34.1110379229 29.4504187204 11.9631108372 SOLV 857 0.0000000000
|
|
2791 1059 TIP3 OH2 31.4420116432 22.8432804876 2.0221497444 SOLV 858 0.0000000000
|
|
2792 1059 TIP3 H1 30.5814258845 23.1972199420 1.7148871163 SOLV 858 0.0000000000
|
|
2793 1059 TIP3 H2 31.7529468270 23.5879661594 2.5745589174 SOLV 858 0.0000000000
|
|
2794 1060 TIP3 OH2 29.1687622482 30.6231114454 15.0277044548 SOLV 859 0.0000000000
|
|
2795 1060 TIP3 H1 29.1894990929 30.0874100345 15.8263746447 SOLV 859 0.0000000000
|
|
2796 1060 TIP3 H2 28.9178340728 31.4992851230 15.3457166153 SOLV 859 0.0000000000
|
|
2797 1061 TIP3 OH2 32.1834476620 25.0023675447 3.6793752671 SOLV 860 0.0000000000
|
|
2798 1061 TIP3 H1 32.9973476654 25.0179864032 4.2119457428 SOLV 860 0.0000000000
|
|
2799 1061 TIP3 H2 32.2576015897 25.8592335718 3.1950022666 SOLV 860 0.0000000000
|
|
2800 1062 TIP3 OH2 23.0179078391 29.7423896397 9.4780866295 SOLV 861 0.0000000000
|
|
2801 1062 TIP3 H1 23.4360608442 29.5827843816 8.6077399075 SOLV 861 0.0000000000
|
|
2802 1062 TIP3 H2 23.5470891834 29.1785210093 10.0545188668 SOLV 861 0.0000000000
|
|
2803 1063 TIP3 OH2 30.0646365998 31.5762490546 3.0362966647 SOLV 862 0.0000000000
|
|
2804 1063 TIP3 H1 29.6091628605 32.4275967404 3.2489015236 SOLV 862 0.0000000000
|
|
2805 1063 TIP3 H2 29.3460756242 30.9305762316 3.2411544320 SOLV 862 0.0000000000
|
|
2806 1064 TIP3 OH2 19.9617972812 27.6727574815 14.8282106578 SOLV 863 0.0000000000
|
|
2807 1064 TIP3 H1 19.5101182926 27.1691413570 15.5382905961 SOLV 863 0.0000000000
|
|
2808 1064 TIP3 H2 19.3540119609 27.5534857650 14.0791926157 SOLV 863 0.0000000000
|
|
2809 1065 TIP3 OH2 27.2869663461 27.9311669247 16.6560831140 SOLV 864 0.0000000000
|
|
2810 1065 TIP3 H1 26.6971412496 27.2499998821 16.3035906903 SOLV 864 0.0000000000
|
|
2811 1065 TIP3 H2 28.0176377384 27.3566196627 16.9895119077 SOLV 864 0.0000000000
|
|
2812 1066 TIP3 OH2 31.4732445276 33.3767572533 15.2895511434 SOLV 865 0.0000000000
|
|
2813 1066 TIP3 H1 30.5277297351 33.2931764669 15.0894454138 SOLV 865 0.0000000000
|
|
2814 1066 TIP3 H2 31.4013439298 33.5322968880 16.2552359039 SOLV 865 0.0000000000
|
|
2815 1067 TIP3 OH2 37.0999898945 25.4493846587 3.6923849793 SOLV 866 0.0000000000
|
|
2816 1067 TIP3 H1 36.5175104341 25.1206098166 2.9635779423 SOLV 866 0.0000000000
|
|
2817 1067 TIP3 H2 37.1296602955 26.3969828157 3.4410081554 SOLV 866 0.0000000000
|
|
2818 1068 TIP3 OH2 37.4021376367 31.3123453750 16.2729052184 SOLV 867 0.0000000000
|
|
2819 1068 TIP3 H1 36.4926804205 31.2815309808 15.9014593388 SOLV 867 0.0000000000
|
|
2820 1068 TIP3 H2 37.9149074904 31.0214981524 15.4781289024 SOLV 867 0.0000000000
|
|
2821 1069 TIP3 OH2 35.6210860548 33.6857526879 4.0295898863 SOLV 868 0.0000000000
|
|
2822 1069 TIP3 H1 34.8366127971 33.1388809994 3.9843844816 SOLV 868 0.0000000000
|
|
2823 1069 TIP3 H2 35.9094486303 33.7497496437 3.0926269446 SOLV 868 0.0000000000
|
|
2824 1070 TIP3 OH2 32.9797939795 28.9760640641 10.6919276158 SOLV 869 0.0000000000
|
|
2825 1070 TIP3 H1 32.0145378123 28.9147238092 10.5468969795 SOLV 869 0.0000000000
|
|
2826 1070 TIP3 H2 33.2436984353 28.1349188117 10.2605597540 SOLV 869 0.0000000000
|
|
2827 1071 TIP3 OH2 25.3371909953 33.1508480976 7.2096517343 SOLV 870 0.0000000000
|
|
2828 1071 TIP3 H1 25.6438322809 34.0064999273 6.8450461350 SOLV 870 0.0000000000
|
|
2829 1071 TIP3 H2 24.4057557047 33.1704874690 6.9684558041 SOLV 870 0.0000000000
|
|
2830 1072 TIP3 OH2 21.2015193016 27.6119248023 1.9919917684 SOLV 871 0.0000000000
|
|
2831 1072 TIP3 H1 21.6817188859 28.2625700468 2.5369722138 SOLV 871 0.0000000000
|
|
2832 1072 TIP3 H2 20.2909442591 27.7414183211 2.3353718581 SOLV 871 0.0000000000
|
|
2833 1073 TIP3 OH2 26.2954479822 30.9292664133 5.9149216494 SOLV 872 0.0000000000
|
|
2834 1073 TIP3 H1 26.0895150050 31.7691262504 6.3875250408 SOLV 872 0.0000000000
|
|
2835 1073 TIP3 H2 25.7623321681 30.3054794296 6.4334079244 SOLV 872 0.0000000000
|
|
2836 1074 TIP3 OH2 27.3051414799 35.0113963437 13.0274769776 SOLV 873 0.0000000000
|
|
2837 1074 TIP3 H1 27.9476662718 35.7442927337 12.9325058255 SOLV 873 0.0000000000
|
|
2838 1074 TIP3 H2 27.8408709615 34.3666306582 13.5246486954 SOLV 873 0.0000000000
|
|
2839 1075 TIP3 OH2 25.3267964989 35.8077597716 5.9076814743 SOLV 874 0.0000000000
|
|
2840 1075 TIP3 H1 24.4457998237 35.8586461095 6.3191702308 SOLV 874 0.0000000000
|
|
2841 1075 TIP3 H2 25.7725196973 36.5655653629 6.3583983540 SOLV 874 0.0000000000
|
|
2842 1076 TIP3 OH2 30.3084923284 31.0602229784 12.5057894580 SOLV 875 0.0000000000
|
|
2843 1076 TIP3 H1 30.0181795756 30.8449429132 13.4258105075 SOLV 875 0.0000000000
|
|
2844 1076 TIP3 H2 30.7455888930 30.2256449527 12.2731828206 SOLV 875 0.0000000000
|
|
2845 1077 TIP3 OH2 32.7032199067 31.8944709445 2.1421431757 SOLV 876 0.0000000000
|
|
2846 1077 TIP3 H1 33.1877592217 31.4548705157 2.8735412184 SOLV 876 0.0000000000
|
|
2847 1077 TIP3 H2 31.8038355633 31.7955918152 2.4775912363 SOLV 876 0.0000000000
|
|
2848 1078 TIP3 OH2 33.4061036746 35.2807444373 14.8920823445 SOLV 877 0.0000000000
|
|
2849 1078 TIP3 H1 32.5241953642 34.8895823442 14.6962763562 SOLV 877 0.0000000000
|
|
2850 1078 TIP3 H2 33.4739247349 35.9752966183 14.2040781495 SOLV 877 0.0000000000
|
|
2851 1079 TIP3 OH2 37.5309190335 36.6417871349 1.8505833935 SOLV 878 0.0000000000
|
|
2852 1079 TIP3 H1 38.2413147609 37.2715114979 2.1113058410 SOLV 878 0.0000000000
|
|
2853 1079 TIP3 H2 36.7563008925 37.1419567666 2.2028295826 SOLV 878 0.0000000000
|
|
2854 1080 TIP3 OH2 21.3781935244 22.8942467257 14.0530541763 SOLV 879 0.0000000000
|
|
2855 1080 TIP3 H1 20.4533984258 23.2162939024 13.9222652029 SOLV 879 0.0000000000
|
|
2856 1080 TIP3 H2 21.2497241433 22.1783639621 14.6930302937 SOLV 879 0.0000000000
|
|
2857 1081 TIP3 OH2 33.9761627985 30.7105005286 4.1582796958 SOLV 880 0.0000000000
|
|
2858 1081 TIP3 H1 33.7787538120 29.8197507018 4.5296724439 SOLV 880 0.0000000000
|
|
2859 1081 TIP3 H2 34.9571257347 30.6998858655 4.2123709678 SOLV 880 0.0000000000
|
|
2860 1082 TIP3 OH2 21.3372327618 34.4379546203 12.8241991444 SOLV 881 0.0000000000
|
|
2861 1082 TIP3 H1 21.8904749950 33.6639319907 12.9650858265 SOLV 881 0.0000000000
|
|
2862 1082 TIP3 H2 21.5380000668 34.9835794174 13.6006577803 SOLV 881 0.0000000000
|
|
2863 1083 TIP3 OH2 27.0929878059 33.0837157932 0.3673975732 SOLV 882 0.0000000000
|
|
2864 1083 TIP3 H1 27.0801572657 32.2877185481 -0.1747787126 SOLV 882 0.0000000000
|
|
2865 1083 TIP3 H2 26.3459463407 32.9197214456 0.9889726536 SOLV 882 0.0000000000
|
|
2866 1084 TIP3 OH2 25.5949837795 32.5185601126 2.6605071724 SOLV 883 0.0000000000
|
|
2867 1084 TIP3 H1 26.0548530421 31.9884847516 3.3439263668 SOLV 883 0.0000000000
|
|
2868 1084 TIP3 H2 25.8064695315 33.4301278345 2.9643729805 SOLV 883 0.0000000000
|
|
2869 1085 TIP3 OH2 22.2916901232 29.7084783781 3.4301845394 SOLV 884 0.0000000000
|
|
2870 1085 TIP3 H1 21.5146396479 30.1317361033 3.8561490273 SOLV 884 0.0000000000
|
|
2871 1085 TIP3 H2 22.6531327970 30.4900325544 2.9578760484 SOLV 884 0.0000000000
|
|
2872 1086 TIP3 OH2 30.1025277287 22.7153620132 13.6285229003 SOLV 885 0.0000000000
|
|
2873 1086 TIP3 H1 30.7831522938 22.8524278537 12.9261966021 SOLV 885 0.0000000000
|
|
2874 1086 TIP3 H2 30.0098816090 21.7608785993 13.6258448471 SOLV 885 0.0000000000
|
|
2875 1087 TIP3 OH2 31.1048124687 21.6455130905 4.7383012815 SOLV 886 0.0000000000
|
|
2876 1087 TIP3 H1 31.3669276004 22.0595847009 3.8915244499 SOLV 886 0.0000000000
|
|
2877 1087 TIP3 H2 31.5968344346 22.2143782073 5.3703704738 SOLV 886 0.0000000000
|
|
2878 1088 TIP3 OH2 28.7276025093 33.9380102966 3.4014098206 SOLV 887 0.0000000000
|
|
2879 1088 TIP3 H1 27.9402879484 34.4163766504 3.7186061001 SOLV 887 0.0000000000
|
|
2880 1088 TIP3 H2 28.8521446364 34.3572748553 2.5409405427 SOLV 887 0.0000000000
|
|
2881 1089 TIP3 OH2 28.0099804308 23.8993378452 5.4032653911 SOLV 888 0.0000000000
|
|
2882 1089 TIP3 H1 28.7646049808 24.5282345410 5.4637711688 SOLV 888 0.0000000000
|
|
2883 1089 TIP3 H2 27.8757606110 23.6199703871 6.3377392434 SOLV 888 0.0000000000
|
|
2884 1090 TIP3 OH2 28.9091348451 25.1161677069 14.3510878480 SOLV 889 0.0000000000
|
|
2885 1090 TIP3 H1 29.0725660192 25.2423107703 15.2986321622 SOLV 889 0.0000000000
|
|
2886 1090 TIP3 H2 29.1417128919 24.1651747105 14.2305125340 SOLV 889 0.0000000000
|
|
2887 1091 TIP3 OH2 28.8667720280 20.4275576459 5.8891333673 SOLV 890 0.0000000000
|
|
2888 1091 TIP3 H1 28.8910224666 20.5957655384 6.8487780778 SOLV 890 0.0000000000
|
|
2889 1091 TIP3 H2 29.6575450798 20.9174800308 5.5848393845 SOLV 890 0.0000000000
|
|
2890 1092 TIP3 OH2 26.2381017146 35.0035403088 3.5321919219 SOLV 891 0.0000000000
|
|
2891 1092 TIP3 H1 26.3662860811 35.8511542777 3.0568544904 SOLV 891 0.0000000000
|
|
2892 1092 TIP3 H2 25.7923971471 35.3654149079 4.3445537321 SOLV 891 0.0000000000
|
|
2893 1093 TIP3 OH2 24.9843360381 22.1694343693 2.9195088055 SOLV 892 0.0000000000
|
|
2894 1093 TIP3 H1 24.7904406215 22.7728741293 3.6665048945 SOLV 892 0.0000000000
|
|
2895 1093 TIP3 H2 25.8879838885 21.8934797439 3.1691973597 SOLV 892 0.0000000000
|
|
2896 1094 TIP3 OH2 34.9434140103 22.6917915689 15.3842712367 SOLV 893 0.0000000000
|
|
2897 1094 TIP3 H1 34.0776655402 23.1547065923 15.4686305475 SOLV 893 0.0000000000
|
|
2898 1094 TIP3 H2 34.8134423924 22.2233864413 14.5376631148 SOLV 893 0.0000000000
|
|
2899 1095 TIP3 OH2 33.2658987185 26.6849817270 9.3629105920 SOLV 894 0.0000000000
|
|
2900 1095 TIP3 H1 32.4666064901 26.1602662941 9.1888418502 SOLV 894 0.0000000000
|
|
2901 1095 TIP3 H2 33.8705470796 26.0184197466 9.7578396066 SOLV 894 0.0000000000
|
|
2902 1096 TIP3 OH2 22.9603079887 32.0079969096 2.0312360017 SOLV 895 0.0000000000
|
|
2903 1096 TIP3 H1 23.8059263910 32.4192085622 2.3121469954 SOLV 895 0.0000000000
|
|
2904 1096 TIP3 H2 23.3182332446 31.4255464342 1.3271135650 SOLV 895 0.0000000000
|
|
2905 1097 TIP3 OH2 21.6004721150 24.9628021744 0.9575504082 SOLV 896 0.0000000000
|
|
2906 1097 TIP3 H1 21.5434837130 25.8154504126 1.4474981391 SOLV 896 0.0000000000
|
|
2907 1097 TIP3 H2 20.7774845385 24.9423558763 0.4623565815 SOLV 896 0.0000000000
|
|
2908 1098 TIP3 OH2 34.7397399060 36.0455025819 11.0228538693 SOLV 897 0.0000000000
|
|
2909 1098 TIP3 H1 34.7938739275 36.6935486071 10.2850009124 SOLV 897 0.0000000000
|
|
2910 1098 TIP3 H2 35.6917088126 35.9290992419 11.2501398352 SOLV 897 0.0000000000
|
|
2911 1099 TIP3 OH2 22.3167862109 19.6994444482 9.8803338944 SOLV 898 0.0000000000
|
|
2912 1099 TIP3 H1 22.1628444942 19.7042594221 8.9115176193 SOLV 898 0.0000000000
|
|
2913 1099 TIP3 H2 21.9226435293 18.8364117463 10.0941989305 SOLV 898 0.0000000000
|
|
2914 1100 TIP3 OH2 20.8665309653 34.0307601699 6.0266511404 SOLV 899 0.0000000000
|
|
2915 1100 TIP3 H1 20.1936660595 34.3976905322 6.6146402255 SOLV 899 0.0000000000
|
|
2916 1100 TIP3 H2 20.7580366616 34.5606250994 5.1999491844 SOLV 899 0.0000000000
|
|
2917 1101 TIP3 OH2 20.3846082899 36.8047519005 17.5123766303 SOLV 900 0.0000000000
|
|
2918 1101 TIP3 H1 21.0893982395 36.5318037848 18.1514571525 SOLV 900 0.0000000000
|
|
2919 1101 TIP3 H2 19.9561683031 35.9528964159 17.3266871098 SOLV 900 0.0000000000
|
|
2920 1102 TIP3 OH2 24.6084986209 34.8640283138 18.9199003534 SOLV 901 0.0000000000
|
|
2921 1102 TIP3 H1 25.5635241670 34.7843033509 19.0596738577 SOLV 901 0.0000000000
|
|
2922 1102 TIP3 H2 24.4681064935 34.4713442700 18.0332342665 SOLV 901 0.0000000000
|
|
2923 1103 TIP3 OH2 29.0252226747 35.0198750803 0.5648570695 SOLV 902 0.0000000000
|
|
2924 1103 TIP3 H1 28.4158466405 34.2998185963 0.3029713433 SOLV 902 0.0000000000
|
|
2925 1103 TIP3 H2 29.8681304777 34.7045929173 0.1643675348 SOLV 902 0.0000000000
|
|
2926 1104 TIP3 OH2 31.2097802343 33.4918671038 17.9574300014 SOLV 903 0.0000000000
|
|
2927 1104 TIP3 H1 30.9988484237 32.7142805140 18.5319708264 SOLV 903 0.0000000000
|
|
2928 1104 TIP3 H2 32.0560835020 33.7510697981 18.3488541291 SOLV 903 0.0000000000
|
|
2929 1105 TIP3 OH2 33.4921396132 34.4655374395 1.0613686257 SOLV 904 0.0000000000
|
|
2930 1105 TIP3 H1 33.9115871579 33.5978407786 1.1852043627 SOLV 904 0.0000000000
|
|
2931 1105 TIP3 H2 34.0013557154 34.8653827367 0.3294248850 SOLV 904 0.0000000000
|
|
2932 1106 TIP3 OH2 20.4125737013 30.6667000762 18.0741900266 SOLV 905 0.0000000000
|
|
2933 1106 TIP3 H1 20.4299208392 29.7287270290 18.3254973465 SOLV 905 0.0000000000
|
|
2934 1106 TIP3 H2 19.5553346891 30.7576499229 17.6340085356 SOLV 905 0.0000000000
|
|
2935 1107 TIP3 OH2 24.8045099805 30.0309705885 0.6277000640 SOLV 906 0.0000000000
|
|
2936 1107 TIP3 H1 25.2320223074 29.4332834905 1.2642707164 SOLV 906 0.0000000000
|
|
2937 1107 TIP3 H2 25.5465042247 30.5606129136 0.3426365008 SOLV 906 0.0000000000
|
|
2938 1108 TIP3 OH2 26.9024542852 30.4361353536 17.7454856459 SOLV 907 0.0000000000
|
|
2939 1108 TIP3 H1 26.6756150182 30.9492479238 16.9279953938 SOLV 907 0.0000000000
|
|
2940 1108 TIP3 H2 27.1330566794 29.5453784079 17.3864617593 SOLV 907 0.0000000000
|
|
2941 1109 TIP3 OH2 30.2561542373 31.1826283525 0.1016869516 SOLV 908 0.0000000000
|
|
2942 1109 TIP3 H1 29.9365388718 31.2840646632 1.0191477699 SOLV 908 0.0000000000
|
|
2943 1109 TIP3 H2 30.9812510084 30.5501397394 0.2565064786 SOLV 908 0.0000000000
|
|
2944 1110 TIP3 OH2 32.5230106411 30.5993894452 15.4286532167 SOLV 909 0.0000000000
|
|
2945 1110 TIP3 H1 33.3624271463 31.0808892883 15.3438244034 SOLV 909 0.0000000000
|
|
2946 1110 TIP3 H2 31.8801809432 31.3020379674 15.2804096358 SOLV 909 0.0000000000
|
|
2947 1111 TIP3 OH2 21.0389714968 27.7054268774 18.0181115556 SOLV 910 0.0000000000
|
|
2948 1111 TIP3 H1 21.9123270131 27.4402148283 17.7122530218 SOLV 910 0.0000000000
|
|
2949 1111 TIP3 H2 20.6510133228 26.9006281177 18.3503186152 SOLV 910 0.0000000000
|
|
2950 1112 TIP3 OH2 25.9945055654 28.6547069794 2.6681752742 SOLV 911 0.0000000000
|
|
2951 1112 TIP3 H1 25.3091637703 28.2198417359 3.2127685049 SOLV 911 0.0000000000
|
|
2952 1112 TIP3 H2 26.3785943738 27.8818099965 2.1858416340 SOLV 911 0.0000000000
|
|
2953 1113 TIP3 OH2 24.8904199745 26.4214057714 14.9410210255 SOLV 912 0.0000000000
|
|
2954 1113 TIP3 H1 24.2456680138 27.1417134715 15.1368182632 SOLV 912 0.0000000000
|
|
2955 1113 TIP3 H2 25.5137796070 26.8593415292 14.3190719312 SOLV 912 0.0000000000
|
|
2956 1114 TIP3 OH2 27.0731387183 26.8255686476 1.0979012529 SOLV 913 0.0000000000
|
|
2957 1114 TIP3 H1 26.9482898548 25.9901734672 0.6072461799 SOLV 913 0.0000000000
|
|
2958 1114 TIP3 H2 28.0560694078 26.8037994834 1.1981043407 SOLV 913 0.0000000000
|
|
2959 1115 TIP3 OH2 30.3105440157 28.9454539999 18.5615195454 SOLV 914 0.0000000000
|
|
2960 1115 TIP3 H1 31.1979588198 28.7414348138 18.9413846158 SOLV 914 0.0000000000
|
|
2961 1115 TIP3 H2 29.9975595327 28.0712390914 18.3456925489 SOLV 914 0.0000000000
|
|
2962 1116 TIP3 OH2 35.8299448299 28.8587858916 50.2706765610 SOLV 915 0.0000000000
|
|
2963 1116 TIP3 H1 36.1720179431 28.5516368419 49.4208066478 SOLV 915 0.0000000000
|
|
2964 1116 TIP3 H2 36.3136537235 29.6909036091 50.3704375175 SOLV 915 0.0000000000
|
|
2965 1117 TIP3 OH2 25.6279405584 24.0648692720 15.9381252281 SOLV 916 0.0000000000
|
|
2966 1117 TIP3 H1 25.7180843117 23.3935490818 15.2342612130 SOLV 916 0.0000000000
|
|
2967 1117 TIP3 H2 25.4251325408 24.8897945493 15.4404779667 SOLV 916 0.0000000000
|
|
2968 1118 TIP3 OH2 26.0496330571 22.1516285297 13.8835907386 SOLV 917 0.0000000000
|
|
2969 1118 TIP3 H1 26.5123216335 22.7635863847 13.2614042261 SOLV 917 0.0000000000
|
|
2970 1118 TIP3 H2 25.1425082029 22.1739628572 13.5071390774 SOLV 917 0.0000000000
|
|
2971 1119 TIP3 OH2 26.8638574634 27.6346365691 13.5630624570 SOLV 918 0.0000000000
|
|
2972 1119 TIP3 H1 27.7371085660 27.6159485653 13.9886864953 SOLV 918 0.0000000000
|
|
2973 1119 TIP3 H2 26.7186912674 28.5711184870 13.3456533597 SOLV 918 0.0000000000
|
|
2974 1120 TIP3 OH2 31.3777292720 25.7164216500 18.6625664604 SOLV 919 0.0000000000
|
|
2975 1120 TIP3 H1 31.7459889349 24.9351048686 18.2223383411 SOLV 919 0.0000000000
|
|
2976 1120 TIP3 H2 32.1649160092 26.1588161418 18.9977266648 SOLV 919 0.0000000000
|
|
2977 1121 TIP3 OH2 33.3065048499 28.2683205161 16.6424056473 SOLV 920 0.0000000000
|
|
2978 1121 TIP3 H1 32.9904408573 29.0808007758 16.1872481704 SOLV 920 0.0000000000
|
|
2979 1121 TIP3 H2 34.2708500409 28.4203620334 16.7080155579 SOLV 920 0.0000000000
|
|
2980 1122 TIP3 OH2 23.9909016210 24.3153204934 18.0598414664 SOLV 921 0.0000000000
|
|
2981 1122 TIP3 H1 23.0952033249 24.0201576642 17.8237333279 SOLV 921 0.0000000000
|
|
2982 1122 TIP3 H2 24.5251046595 24.1439512406 17.2599575062 SOLV 921 0.0000000000
|
|
2983 1123 TIP3 OH2 26.4036465667 19.6736165482 14.6257231388 SOLV 922 0.0000000000
|
|
2984 1123 TIP3 H1 26.2794731431 20.6091170943 14.3506139193 SOLV 922 0.0000000000
|
|
2985 1123 TIP3 H2 25.8659559836 19.1848793868 13.9801189760 SOLV 922 0.0000000000
|
|
2986 1124 TIP3 OH2 27.9129771812 23.5301330398 17.6449977134 SOLV 923 0.0000000000
|
|
2987 1124 TIP3 H1 27.3718334501 23.3233738334 18.4403597394 SOLV 923 0.0000000000
|
|
2988 1124 TIP3 H2 27.1956896712 23.5786092530 16.9791106545 SOLV 923 0.0000000000
|
|
2989 1125 TIP3 OH2 30.6151314681 23.0708307952 17.3834678581 SOLV 924 0.0000000000
|
|
2990 1125 TIP3 H1 29.6404352666 23.0644927983 17.4824858607 SOLV 924 0.0000000000
|
|
2991 1125 TIP3 H2 30.9118279618 22.4714253738 18.0941504422 SOLV 924 0.0000000000
|
|
2992 1126 TIP3 OH2 31.9167205671 21.2916165420 19.1571508015 SOLV 925 0.0000000000
|
|
2993 1126 TIP3 H1 32.0415245681 20.3509809485 18.9182458572 SOLV 925 0.0000000000
|
|
2994 1126 TIP3 H2 31.6606718377 21.2367779110 20.0894363077 SOLV 925 0.0000000000
|
|
2995 1127 TIP3 OH2 21.7752557392 22.6619773131 17.9233726940 SOLV 926 0.0000000000
|
|
2996 1127 TIP3 H1 21.8516107983 21.9201085279 17.2799665449 SOLV 926 0.0000000000
|
|
2997 1127 TIP3 H2 21.8608709496 22.2004970607 18.7686051535 SOLV 926 0.0000000000
|
|
2998 1128 TIP3 OH2 26.4022921440 18.8977793989 17.2067055111 SOLV 927 0.0000000000
|
|
2999 1128 TIP3 H1 26.9467510092 18.1123348937 17.0456344807 SOLV 927 0.0000000000
|
|
3000 1128 TIP3 H2 26.3293193929 19.2616838852 16.2956668969 SOLV 927 0.0000000000
|
|
3001 1129 TIP3 OH2 26.7794494908 20.2818278674 19.5558747953 SOLV 928 0.0000000000
|
|
3002 1129 TIP3 H1 26.7623309278 19.8770710041 18.6690240741 SOLV 928 0.0000000000
|
|
3003 1129 TIP3 H2 26.5064728773 21.2039683160 19.3974041671 SOLV 928 0.0000000000
|
|
3004 1130 TIP3 OH2 26.5477572182 37.4207464856 2.4252757883 SOLV 929 0.0000000000
|
|
3005 1130 TIP3 H1 27.4983740588 37.5433292821 2.2877778646 SOLV 929 0.0000000000
|
|
3006 1130 TIP3 H2 26.1578805373 37.9134458913 1.6940985302 SOLV 929 0.0000000000
|
|
3007 1131 TIP3 OH2 20.2804639861 32.4658058268 1.6055037986 SOLV 930 0.0000000000
|
|
3008 1131 TIP3 H1 21.2558343986 32.3815526774 1.6425908342 SOLV 930 0.0000000000
|
|
3009 1131 TIP3 H2 20.0634435253 31.7733085699 0.9474174445 SOLV 930 0.0000000000
|
|
3010 1132 TIP3 OH2 19.2673068371 37.2093652215 6.5533979566 SOLV 931 0.0000000000
|
|
3011 1132 TIP3 H1 18.5577038472 36.7624539237 6.0393333596 SOLV 931 0.0000000000
|
|
3012 1132 TIP3 H2 19.4531935441 36.5294162649 7.2321722432 SOLV 931 0.0000000000
|
|
3013 1133 TIP3 OH2 19.9021677904 35.2661354096 8.4007052307 SOLV 932 0.0000000000
|
|
3014 1133 TIP3 H1 19.4246205173 34.5366052094 8.8396778822 SOLV 932 0.0000000000
|
|
3015 1133 TIP3 H2 20.4416312324 35.6385024587 9.1441174171 SOLV 932 0.0000000000
|
|
3016 1134 TIP3 OH2 37.4450677022 35.9003710282 11.7408892673 SOLV 933 0.0000000000
|
|
3017 1134 TIP3 H1 37.5689277584 35.9664488314 12.7202746898 SOLV 933 0.0000000000
|
|
3018 1134 TIP3 H2 38.2339887010 36.3509963064 11.4134729715 SOLV 933 0.0000000000
|
|
3019 1135 TIP3 OH2 36.9405655487 35.6558307883 14.3940492679 SOLV 934 0.0000000000
|
|
3020 1135 TIP3 H1 36.4151407130 34.9858991173 13.8942059194 SOLV 934 0.0000000000
|
|
3021 1135 TIP3 H2 37.2945278598 35.0977393399 15.1179133600 SOLV 934 0.0000000000
|
|
3022 1136 TIP3 OH2 35.4120749064 31.5195174491 19.1425304321 SOLV 935 0.0000000000
|
|
3023 1136 TIP3 H1 34.4646777924 31.6723675878 19.2233588066 SOLV 935 0.0000000000
|
|
3024 1136 TIP3 H2 35.7567226107 32.2736392874 19.6590886009 SOLV 935 0.0000000000
|
|
3025 1137 TIP3 OH2 36.7168622043 30.1287207687 4.3621286285 SOLV 936 0.0000000000
|
|
3026 1137 TIP3 H1 37.5307427412 30.6158629379 4.5959643840 SOLV 936 0.0000000000
|
|
3027 1137 TIP3 H2 36.6690664978 29.4601900083 5.0731282659 SOLV 936 0.0000000000
|
|
3028 1138 TIP3 OH2 37.0999790351 27.9336113999 6.4359862540 SOLV 937 0.0000000000
|
|
3029 1138 TIP3 H1 36.2801462107 27.4813296424 6.7168060141 SOLV 937 0.0000000000
|
|
3030 1138 TIP3 H2 37.6136997204 27.9548523412 7.2733441889 SOLV 937 0.0000000000
|
|
3031 1139 TIP3 OH2 37.0757602442 30.8765798376 11.4962086273 SOLV 938 0.0000000000
|
|
3032 1139 TIP3 H1 37.6852189083 30.1756889240 11.1569907328 SOLV 938 0.0000000000
|
|
3033 1139 TIP3 H2 37.3240973251 31.6259720197 10.9214671910 SOLV 938 0.0000000000
|
|
3034 1140 TIP3 OH2 35.3218683472 33.6983179564 13.5475837402 SOLV 939 0.0000000000
|
|
3035 1140 TIP3 H1 34.5769668498 34.0648272910 14.0563486353 SOLV 939 0.0000000000
|
|
3036 1140 TIP3 H2 34.9049778599 33.5475899601 12.6678720164 SOLV 939 0.0000000000
|
|
3037 1141 TIP3 OH2 37.3728357304 28.0411874807 2.5735816786 SOLV 940 0.0000000000
|
|
3038 1141 TIP3 H1 36.6697985752 28.1375956348 1.9053637683 SOLV 940 0.0000000000
|
|
3039 1141 TIP3 H2 37.2058136649 28.8247141743 3.1372931930 SOLV 940 0.0000000000
|
|
3040 1142 TIP3 OH2 35.6308720940 25.0502369342 1.5414171664 SOLV 941 0.0000000000
|
|
3041 1142 TIP3 H1 35.1739377686 25.6300505627 0.9132323118 SOLV 941 0.0000000000
|
|
3042 1142 TIP3 H2 35.5515309327 24.1872776340 1.0929924348 SOLV 941 0.0000000000
|
|
3043 1143 TIP3 OH2 34.7271306867 26.8385590781 7.1903380378 SOLV 942 0.0000000000
|
|
3044 1143 TIP3 H1 34.5781403060 25.9842416893 6.7684364284 SOLV 942 0.0000000000
|
|
3045 1143 TIP3 H2 34.2087762189 26.7404639388 8.0179386386 SOLV 942 0.0000000000
|
|
3046 1144 TIP3 OH2 19.8925517772 28.8586045602 11.0399419591 SOLV 943 0.0000000000
|
|
3047 1144 TIP3 H1 19.7974041736 28.5177306725 10.1239917943 SOLV 943 0.0000000000
|
|
3048 1144 TIP3 H2 20.7437340395 28.4295505354 11.2993406818 SOLV 943 0.0000000000
|
|
3049 1145 TIP3 OH2 36.0516575868 28.4399279413 16.8359368077 SOLV 944 0.0000000000
|
|
3050 1145 TIP3 H1 36.4599426170 27.5517237048 16.7617353334 SOLV 944 0.0000000000
|
|
3051 1145 TIP3 H2 36.5739376161 28.9543826632 16.2133436883 SOLV 944 0.0000000000
|
|
3052 1146 TIP3 OH2 37.2125852128 26.0940682820 16.4986099867 SOLV 945 0.0000000000
|
|
3053 1146 TIP3 H1 36.2809244137 25.8569189407 16.6870276304 SOLV 945 0.0000000000
|
|
3054 1146 TIP3 H2 37.6715206491 25.2505338863 16.7315796079 SOLV 945 0.0000000000
|
|
3055 1147 TIP3 OH2 34.5545697618 22.9132995580 0.4646827037 SOLV 946 0.0000000000
|
|
3056 1147 TIP3 H1 35.0693917710 22.2223530465 0.9242724453 SOLV 946 0.0000000000
|
|
3057 1147 TIP3 H2 33.6552496328 22.7853412097 0.8200312780 SOLV 946 0.0000000000
|
|
3058 1148 TIP3 OH2 34.6186733679 24.5245254855 5.0771122357 SOLV 947 0.0000000000
|
|
3059 1148 TIP3 H1 34.8498759487 23.5797562256 5.0559469767 SOLV 947 0.0000000000
|
|
3060 1148 TIP3 H2 35.4752349603 24.8754959041 4.7983495423 SOLV 947 0.0000000000
|
|
3061 1149 TIP3 OH2 35.1091132639 24.8976991199 10.3968652322 SOLV 948 0.0000000000
|
|
3062 1149 TIP3 H1 36.0587581951 24.9348860597 10.6224144335 SOLV 948 0.0000000000
|
|
3063 1149 TIP3 H2 34.7377412121 24.4886652830 11.2073827320 SOLV 948 0.0000000000
|
|
3064 1150 TIP3 OH2 35.4590780320 25.4212198613 13.4002173229 SOLV 949 0.0000000000
|
|
3065 1150 TIP3 H1 34.5398952822 25.7204335437 13.6357569359 SOLV 949 0.0000000000
|
|
3066 1150 TIP3 H2 35.9055151125 26.2422717147 13.1710112495 SOLV 949 0.0000000000
|
|
3067 1151 TIP3 OH2 19.4709202194 23.4854090462 16.5787465565 SOLV 950 0.0000000000
|
|
3068 1151 TIP3 H1 20.3477095251 23.3651089284 16.9979884794 SOLV 950 0.0000000000
|
|
3069 1151 TIP3 H2 18.9994978355 22.6854095484 16.8953917344 SOLV 950 0.0000000000
|
|
3070 1152 TIP3 OH2 37.5461613743 19.7528245145 18.4165186075 SOLV 951 0.0000000000
|
|
3071 1152 TIP3 H1 38.2394523692 19.1929537458 18.0008716867 SOLV 951 0.0000000000
|
|
3072 1152 TIP3 H2 37.5327518390 20.5242784869 17.8013615505 SOLV 951 0.0000000000
|
|
3073 1153 TIP3 OH2 35.3996839237 21.7139677088 5.2537727463 SOLV 952 0.0000000000
|
|
3074 1153 TIP3 H1 35.5050361942 21.3936773249 6.1719870776 SOLV 952 0.0000000000
|
|
3075 1153 TIP3 H2 34.7314870060 21.0916498723 4.8936788876 SOLV 952 0.0000000000
|
|
3076 1154 TIP3 OH2 20.6956029750 22.0103250688 9.9481811856 SOLV 953 0.0000000000
|
|
3077 1154 TIP3 H1 21.2593542231 21.2167939439 10.0619792493 SOLV 953 0.0000000000
|
|
3078 1154 TIP3 H2 21.3456710246 22.7217349424 9.9149665028 SOLV 953 0.0000000000
|
|
3079 1155 TIP3 OH2 18.9688096911 25.1408692885 10.6811994731 SOLV 954 0.0000000000
|
|
3080 1155 TIP3 H1 19.6078815951 25.0296642091 9.9485702402 SOLV 954 0.0000000000
|
|
3081 1155 TIP3 H2 19.4224556474 25.8253580547 11.1887983191 SOLV 954 0.0000000000
|
|
3082 1156 TIP3 OH2 37.1681191730 21.5569322356 16.2614954520 SOLV 955 0.0000000000
|
|
3083 1156 TIP3 H1 36.2692977914 21.9578307380 16.1776024377 SOLV 955 0.0000000000
|
|
3084 1156 TIP3 H2 37.0101278883 20.7035025753 15.8059506700 SOLV 955 0.0000000000
|
|
3085 1157 TIP3 OH2 36.5448836019 21.3964165130 1.7172881962 SOLV 956 0.0000000000
|
|
3086 1157 TIP3 H1 36.9077441268 21.5335369596 0.8013470701 SOLV 956 0.0000000000
|
|
3087 1157 TIP3 H2 37.1961290622 21.9257074636 2.2192649824 SOLV 956 0.0000000000
|
|
3088 1158 TIP3 OH2 19.3828655248 21.2740133341 4.9086811299 SOLV 957 0.0000000000
|
|
3089 1158 TIP3 H1 18.4192833248 21.3024208621 5.0082048762 SOLV 957 0.0000000000
|
|
3090 1158 TIP3 H2 19.5181356371 21.9893053995 4.2453087641 SOLV 957 0.0000000000
|
|
3091 1159 TIP3 OH2 34.4471960093 36.3640148276 7.1111884453 SOLV 958 0.0000000000
|
|
3092 1159 TIP3 H1 35.1214293274 36.3401709982 6.3817675543 SOLV 958 0.0000000000
|
|
3093 1159 TIP3 H2 34.8334255047 37.0237237638 7.7053568437 SOLV 958 0.0000000000
|
|
3094 1160 TIP3 OH2 19.4059421700 20.0576330251 13.1427079541 SOLV 959 0.0000000000
|
|
3095 1160 TIP3 H1 18.7288635669 19.8843136611 13.8274262336 SOLV 959 0.0000000000
|
|
3096 1160 TIP3 H2 19.0057511638 20.7918740043 12.6298826612 SOLV 959 0.0000000000
|
|
3097 1161 TIP3 OH2 21.4987086034 33.6061482543 16.9912181345 SOLV 960 0.0000000000
|
|
3098 1161 TIP3 H1 20.5798997492 33.8843371229 16.8914031676 SOLV 960 0.0000000000
|
|
3099 1161 TIP3 H2 21.4192689653 32.9023127823 17.6621481061 SOLV 960 0.0000000000
|
|
3100 1162 TIP3 OH2 24.7450854132 34.8148557156 14.0323944427 SOLV 961 0.0000000000
|
|
3101 1162 TIP3 H1 24.5706537434 35.7163843723 13.6506660202 SOLV 961 0.0000000000
|
|
3102 1162 TIP3 H2 25.6580371627 34.7127580758 13.6812380844 SOLV 961 0.0000000000
|
|
3103 1163 TIP3 OH2 28.6032578978 35.9104905877 16.5310121109 SOLV 962 0.0000000000
|
|
3104 1163 TIP3 H1 28.6489181775 35.5229793841 17.4357207886 SOLV 962 0.0000000000
|
|
3105 1163 TIP3 H2 29.5110598793 36.2901262168 16.4505533205 SOLV 962 0.0000000000
|
|
3106 1164 TIP3 OH2 30.8351284871 37.2927053822 16.2279132049 SOLV 963 0.0000000000
|
|
3107 1164 TIP3 H1 31.5689351049 36.9534712193 15.6968657684 SOLV 963 0.0000000000
|
|
3108 1164 TIP3 H2 31.2747728862 37.6720668283 17.0201046780 SOLV 963 0.0000000000
|
|
3109 1165 TIP3 OH2 36.2215486074 19.4757758059 15.0259199806 SOLV 964 0.0000000000
|
|
3110 1165 TIP3 H1 35.6675191321 19.9338449328 14.3654806657 SOLV 964 0.0000000000
|
|
3111 1165 TIP3 H2 36.2977003082 18.5674493938 14.6339420191 SOLV 964 0.0000000000
|
|
3112 1166 TIP3 OH2 21.7846018824 37.7102101241 13.5530837988 SOLV 965 0.0000000000
|
|
3113 1166 TIP3 H1 20.9512534951 38.0951858362 13.2038874703 SOLV 965 0.0000000000
|
|
3114 1166 TIP3 H2 21.7645791086 38.0343627064 14.4613771277 SOLV 965 0.0000000000
|
|
3115 1167 TIP3 OH2 24.2810873694 37.1555763634 12.9040622335 SOLV 966 0.0000000000
|
|
3116 1167 TIP3 H1 23.3508908031 37.3904072644 13.1160776683 SOLV 966 0.0000000000
|
|
3117 1167 TIP3 H2 24.4072845930 37.6105501139 12.0612131614 SOLV 966 0.0000000000
|
|
3118 1168 TIP3 OH2 28.9130383718 37.1209632402 11.9942285471 SOLV 967 0.0000000000
|
|
3119 1168 TIP3 H1 28.2301698816 37.5654085583 11.4580434056 SOLV 967 0.0000000000
|
|
3120 1168 TIP3 H2 29.1029005769 37.7813004405 12.6959157802 SOLV 967 0.0000000000
|
|
3121 1169 TIP3 OH2 31.0258720110 35.8640643534 13.3824848955 SOLV 968 0.0000000000
|
|
3122 1169 TIP3 H1 30.3828543807 36.1965119294 12.7212736385 SOLV 968 0.0000000000
|
|
3123 1169 TIP3 H2 31.7836834984 36.4361747952 13.1581802631 SOLV 968 0.0000000000
|
|
3124 1170 TIP3 OH2 33.4731437972 37.2616381795 12.9932597358 SOLV 969 0.0000000000
|
|
3125 1170 TIP3 H1 33.7207650827 38.1830150606 12.8350711500 SOLV 969 0.0000000000
|
|
3126 1170 TIP3 H2 33.8561391572 36.8408825073 12.1873875110 SOLV 969 0.0000000000
|
|
3127 1171 TIP3 OH2 21.3553306181 36.1315892545 10.5286780511 SOLV 970 0.0000000000
|
|
3128 1171 TIP3 H1 21.1381725595 35.6579734819 11.3459173881 SOLV 970 0.0000000000
|
|
3129 1171 TIP3 H2 22.2435354586 35.7649693737 10.3360920193 SOLV 970 0.0000000000
|
|
3130 1172 TIP3 OH2 23.6226251871 34.9187357123 9.5107344170 SOLV 971 0.0000000000
|
|
3131 1172 TIP3 H1 23.5608896136 33.9637687740 9.7488166855 SOLV 971 0.0000000000
|
|
3132 1172 TIP3 H2 24.5134179966 35.1051929393 9.8853537657 SOLV 971 0.0000000000
|
|
3133 1173 TIP3 OH2 26.0208814907 35.1212776951 10.5477135992 SOLV 972 0.0000000000
|
|
3134 1173 TIP3 H1 26.1408566037 34.1804687623 10.3027018324 SOLV 972 0.0000000000
|
|
3135 1173 TIP3 H2 26.4451833040 35.1353199733 11.4210182236 SOLV 972 0.0000000000
|
|
3136 1174 TIP3 OH2 28.8388739710 20.7301790202 8.5813981906 SOLV 973 0.0000000000
|
|
3137 1174 TIP3 H1 28.6840689990 20.1298093442 9.3260080916 SOLV 973 0.0000000000
|
|
3138 1174 TIP3 H2 29.8107295412 20.8166648005 8.6536833814 SOLV 973 0.0000000000
|
|
3139 1175 TIP3 OH2 34.3519555095 19.0515030261 9.1163146329 SOLV 974 0.0000000000
|
|
3140 1175 TIP3 H1 35.0552995466 19.6217695896 8.7058666923 SOLV 974 0.0000000000
|
|
3141 1175 TIP3 H2 33.6144937032 19.6860409344 9.1856482174 SOLV 974 0.0000000000
|
|
3142 1176 TIP3 OH2 36.2111426243 20.3176120156 7.6057656436 SOLV 975 0.0000000000
|
|
3143 1176 TIP3 H1 36.8012791257 19.7024974022 7.1125130259 SOLV 975 0.0000000000
|
|
3144 1176 TIP3 H2 36.8564604430 21.0099048295 7.8561771840 SOLV 975 0.0000000000
|
|
3145 1177 TIP3 OH2 21.7942900444 19.4060363830 7.1992485008 SOLV 976 0.0000000000
|
|
3146 1177 TIP3 H1 20.9025622750 19.1986064722 6.8502436557 SOLV 976 0.0000000000
|
|
3147 1177 TIP3 H2 22.2632695640 18.5693208871 6.9969640701 SOLV 976 0.0000000000
|
|
3148 1178 TIP3 OH2 20.5994972100 19.4098610274 3.1058404443 SOLV 977 0.0000000000
|
|
3149 1178 TIP3 H1 21.3497433516 19.9670566529 2.7792104672 SOLV 977 0.0000000000
|
|
3150 1178 TIP3 H2 20.2164342772 19.9912299463 3.8048874682 SOLV 977 0.0000000000
|
|
3151 1179 TIP3 OH2 26.3813258891 18.9845051206 7.3432320855 SOLV 978 0.0000000000
|
|
3152 1179 TIP3 H1 26.9761465812 19.4137388774 6.7207717990 SOLV 978 0.0000000000
|
|
3153 1179 TIP3 H2 26.7465151006 19.2890769094 8.1917421982 SOLV 978 0.0000000000
|
|
3154 1180 TIP3 OH2 31.4315069078 19.8745144316 8.4763311682 SOLV 979 0.0000000000
|
|
3155 1180 TIP3 H1 31.8395725345 19.6033240842 7.6523792464 SOLV 979 0.0000000000
|
|
3156 1180 TIP3 H2 31.2250060468 18.9986407177 8.8918587168 SOLV 979 0.0000000000
|
|
3157 1181 TIP3 OH2 33.2684906585 19.9520491932 4.3232686087 SOLV 980 0.0000000000
|
|
3158 1181 TIP3 H1 32.4876935399 20.4744001252 4.5971610713 SOLV 980 0.0000000000
|
|
3159 1181 TIP3 H2 33.0191017197 19.0540673915 4.6450914269 SOLV 980 0.0000000000
|
|
3160 1182 TIP3 OH2 20.5710137925 35.5676552855 3.8580283602 SOLV 981 0.0000000000
|
|
3161 1182 TIP3 H1 19.8917116630 35.3969170282 3.1839764385 SOLV 981 0.0000000000
|
|
3162 1182 TIP3 H2 20.6792580121 36.5353824184 3.7394442728 SOLV 981 0.0000000000
|
|
3163 1183 TIP3 OH2 22.6757132094 20.7180380211 1.9848262547 SOLV 982 0.0000000000
|
|
3164 1183 TIP3 H1 22.8463880779 20.7594353896 1.0424984578 SOLV 982 0.0000000000
|
|
3165 1183 TIP3 H2 23.4200692238 21.2293801143 2.3326859241 SOLV 982 0.0000000000
|
|
3166 1184 TIP3 OH2 27.6521670029 21.8496193007 3.6121599009 SOLV 983 0.0000000000
|
|
3167 1184 TIP3 H1 28.0507434273 21.2021029235 4.2271829744 SOLV 983 0.0000000000
|
|
3168 1184 TIP3 H2 27.7568010267 22.6508426176 4.1713726738 SOLV 983 0.0000000000
|
|
3169 1185 TIP3 OH2 29.3827067665 37.2182986639 2.1097992533 SOLV 984 0.0000000000
|
|
3170 1185 TIP3 H1 30.3687751106 37.1068099557 2.0874864498 SOLV 984 0.0000000000
|
|
3171 1185 TIP3 H2 29.1432550398 36.4268500416 1.5790749556 SOLV 984 0.0000000000
|
|
3172 1186 TIP3 OH2 36.1000440878 36.1841625398 5.0312227759 SOLV 985 0.0000000000
|
|
3173 1186 TIP3 H1 35.9022069573 35.3676567104 4.5223824686 SOLV 985 0.0000000000
|
|
3174 1186 TIP3 H2 36.0160190768 36.8833828395 4.3447352569 SOLV 985 0.0000000000
|
|
3175 1187 TIP3 OH2 21.6785851790 20.3829675520 16.4127692444 SOLV 986 0.0000000000
|
|
3176 1187 TIP3 H1 21.0989106269 19.6483432439 16.6973163227 SOLV 986 0.0000000000
|
|
3177 1187 TIP3 H2 22.5074229989 20.0112205757 16.7952459595 SOLV 986 0.0000000000
|
|
3178 1188 TIP3 OH2 23.6899746840 19.2657585658 17.8345652883 SOLV 987 0.0000000000
|
|
3179 1188 TIP3 H1 24.6700894225 19.2832485712 17.7259200024 SOLV 987 0.0000000000
|
|
3180 1188 TIP3 H2 23.6263936520 18.6205244334 18.5499506482 SOLV 987 0.0000000000
|
|
3181 1189 TIP3 OH2 22.0180694452 36.2562445545 0.9216730083 SOLV 988 0.0000000000
|
|
3182 1189 TIP3 H1 21.8038573817 36.9501101728 1.5533550093 SOLV 988 0.0000000000
|
|
3183 1189 TIP3 H2 22.7011808367 35.7762673013 1.4222355884 SOLV 988 0.0000000000
|
|
3184 1190 TIP3 OH2 32.4350174195 18.6119004197 18.4487609015 SOLV 989 0.0000000000
|
|
3185 1190 TIP3 H1 32.6560154835 17.7958722924 18.9517444499 SOLV 989 0.0000000000
|
|
3186 1190 TIP3 H2 33.2773961973 18.7425519689 17.9509521689 SOLV 989 0.0000000000
|
|
3187 1191 TIP3 OH2 34.9635533027 34.9572094481 17.0657899633 SOLV 990 0.0000000000
|
|
3188 1191 TIP3 H1 34.4245164682 34.9923579274 16.2441505554 SOLV 990 0.0000000000
|
|
3189 1191 TIP3 H2 35.0468889814 35.9218626825 17.2659293927 SOLV 990 0.0000000000
|
|
3190 1192 TIP3 OH2 50.0472390876 28.4546443021 6.7437698686 SOLV 991 0.0000000000
|
|
3191 1192 TIP3 H1 49.8373960320 29.3827327809 6.9533084657 SOLV 991 0.0000000000
|
|
3192 1192 TIP3 H2 49.3833423914 28.2676786925 6.0655711595 SOLV 991 0.0000000000
|
|
3193 1193 TIP3 OH2 47.8479625302 28.3827157569 10.6944878474 SOLV 992 0.0000000000
|
|
3194 1193 TIP3 H1 48.8161769218 28.4076485459 10.8296851459 SOLV 992 0.0000000000
|
|
3195 1193 TIP3 H2 47.7136428220 27.4877554104 10.3432594772 SOLV 992 0.0000000000
|
|
3196 1194 TIP3 OH2 40.6993114118 27.5019045759 12.0086319510 SOLV 993 0.0000000000
|
|
3197 1194 TIP3 H1 40.8803028346 26.8838284612 12.7419319757 SOLV 993 0.0000000000
|
|
3198 1194 TIP3 H2 41.5947009727 27.8075676471 11.7764895296 SOLV 993 0.0000000000
|
|
3199 1195 TIP3 OH2 42.1767275773 32.4285068728 10.4149379323 SOLV 994 0.0000000000
|
|
3200 1195 TIP3 H1 41.8157307806 31.5840601791 10.0730183683 SOLV 994 0.0000000000
|
|
3201 1195 TIP3 H2 43.1308982648 32.2575376231 10.2532738440 SOLV 994 0.0000000000
|
|
3202 1196 TIP3 OH2 38.8170979024 25.6156876367 5.7393965130 SOLV 995 0.0000000000
|
|
3203 1196 TIP3 H1 38.5146313358 26.4812387387 6.0664224597 SOLV 995 0.0000000000
|
|
3204 1196 TIP3 H2 38.2587362786 25.5779445345 4.9207422940 SOLV 995 0.0000000000
|
|
3205 1197 TIP3 OH2 39.0758898315 27.8752787188 8.5491452794 SOLV 996 0.0000000000
|
|
3206 1197 TIP3 H1 39.5468750522 27.0120969533 8.6551929102 SOLV 996 0.0000000000
|
|
3207 1197 TIP3 H2 39.8033702637 28.4873122821 8.3417333163 SOLV 996 0.0000000000
|
|
3208 1198 TIP3 OH2 48.3852836634 36.2213313974 8.8500029364 SOLV 997 0.0000000000
|
|
3209 1198 TIP3 H1 49.3546153344 36.1488339241 8.9645465554 SOLV 997 0.0000000000
|
|
3210 1198 TIP3 H2 48.0542034223 35.8136217876 9.6646911855 SOLV 997 0.0000000000
|
|
3211 1199 TIP3 OH2 46.9140932841 30.8809183254 10.9758403486 SOLV 998 0.0000000000
|
|
3212 1199 TIP3 H1 47.1437819319 29.9761754285 10.6910572838 SOLV 998 0.0000000000
|
|
3213 1199 TIP3 H2 47.7972142993 31.1953866379 11.2285931777 SOLV 998 0.0000000000
|
|
3214 1200 TIP3 OH2 43.5172721425 22.9011122697 8.2729446664 SOLV 999 0.0000000000
|
|
3215 1200 TIP3 H1 43.6002146546 23.7297238264 7.7548230329 SOLV 999 0.0000000000
|
|
3216 1200 TIP3 H2 42.9422470132 22.3710422862 7.6834215651 SOLV 999 0.0000000000
|
|
3217 1201 TIP3 OH2 40.1446276624 25.4902436666 9.2689645194 SOLV 1000 0.0000000000
|
|
3218 1201 TIP3 H1 40.7605615998 25.0313240411 9.8646161949 SOLV 1000 0.0000000000
|
|
3219 1201 TIP3 H2 40.2652792845 25.0268771591 8.4088361185 SOLV 1000 0.0000000000
|
|
3220 1202 TIP3 OH2 44.7858528628 27.1557838895 8.7715412805 SOLV 1001 0.0000000000
|
|
3221 1202 TIP3 H1 45.6095545172 26.6986886327 9.0549066959 SOLV 1001 0.0000000000
|
|
3222 1202 TIP3 H2 44.3082239613 26.4052642467 8.3451129122 SOLV 1001 0.0000000000
|
|
3223 1203 TIP3 OH2 42.4821160727 22.0104031480 12.4452408034 SOLV 1002 0.0000000000
|
|
3224 1203 TIP3 H1 42.1573500137 22.5749625383 11.7152607933 SOLV 1002 0.0000000000
|
|
3225 1203 TIP3 H2 41.7643005782 22.1460683446 13.0996277638 SOLV 1002 0.0000000000
|
|
3226 1204 TIP3 OH2 49.2972533097 31.3798051245 6.2104268672 SOLV 1003 0.0000000000
|
|
3227 1204 TIP3 H1 49.1581942399 31.4386580602 5.2546108124 SOLV 1003 0.0000000000
|
|
3228 1204 TIP3 H2 49.0074234006 32.2654909473 6.5105354816 SOLV 1003 0.0000000000
|
|
3229 1205 TIP3 OH2 44.7317739947 29.8435463687 12.2210162539 SOLV 1004 0.0000000000
|
|
3230 1205 TIP3 H1 44.2330604911 30.5727117279 12.6536676083 SOLV 1004 0.0000000000
|
|
3231 1205 TIP3 H2 45.4593200220 30.3380203019 11.7937529627 SOLV 1004 0.0000000000
|
|
3232 1206 TIP3 OH2 42.1631972053 23.8884151522 10.4035207412 SOLV 1005 0.0000000000
|
|
3233 1206 TIP3 H1 42.7511933821 24.5036676835 10.9098936400 SOLV 1005 0.0000000000
|
|
3234 1206 TIP3 H2 42.7310584021 23.6025283951 9.6497145530 SOLV 1005 0.0000000000
|
|
3235 1207 TIP3 OH2 43.3103505351 31.8833316972 13.4577426970 SOLV 1006 0.0000000000
|
|
3236 1207 TIP3 H1 43.2752506615 32.8362416384 13.2810353016 SOLV 1006 0.0000000000
|
|
3237 1207 TIP3 H2 42.3879712299 31.7531758016 13.7766861383 SOLV 1006 0.0000000000
|
|
3238 1208 TIP3 OH2 39.1041615023 31.4581208194 4.3545098229 SOLV 1007 0.0000000000
|
|
3239 1208 TIP3 H1 39.0971442054 31.9071834203 3.4923771675 SOLV 1007 0.0000000000
|
|
3240 1208 TIP3 H2 39.2615359741 32.2093981991 4.9491496773 SOLV 1007 0.0000000000
|
|
3241 1209 TIP3 OH2 45.7166696925 18.9803331946 10.0459669334 SOLV 1008 0.0000000000
|
|
3242 1209 TIP3 H1 45.3584334219 18.0678186674 10.0810431866 SOLV 1008 0.0000000000
|
|
3243 1209 TIP3 H2 44.8683734637 19.4537775009 10.2182594083 SOLV 1008 0.0000000000
|
|
3244 1210 TIP3 OH2 48.5258475089 28.4342232834 4.2786702790 SOLV 1009 0.0000000000
|
|
3245 1210 TIP3 H1 47.6581711756 28.8350651115 4.1142780325 SOLV 1009 0.0000000000
|
|
3246 1210 TIP3 H2 49.0862363871 29.2057117808 4.0747634242 SOLV 1009 0.0000000000
|
|
3247 1211 TIP3 OH2 48.5763552589 26.7932004184 1.1717483454 SOLV 1010 0.0000000000
|
|
3248 1211 TIP3 H1 48.6418232595 26.2721723640 1.9608245813 SOLV 1010 0.0000000000
|
|
3249 1211 TIP3 H2 49.1756315913 26.3032075435 0.5535233750 SOLV 1010 0.0000000000
|
|
3250 1212 TIP3 OH2 43.3650328151 28.8646578310 7.2667930693 SOLV 1011 0.0000000000
|
|
3251 1212 TIP3 H1 43.2552848944 28.5243060842 6.3514781613 SOLV 1011 0.0000000000
|
|
3252 1212 TIP3 H2 43.9882839151 28.2179707801 7.6409901923 SOLV 1011 0.0000000000
|
|
3253 1213 TIP3 OH2 44.8136069811 32.4050158068 9.8208910371 SOLV 1012 0.0000000000
|
|
3254 1213 TIP3 H1 45.0039097110 32.4911818699 8.8676752650 SOLV 1012 0.0000000000
|
|
3255 1213 TIP3 H2 45.6350203425 31.9707351539 10.1599406646 SOLV 1012 0.0000000000
|
|
3256 1214 TIP3 OH2 43.4430976922 27.8039555599 11.0529689777 SOLV 1013 0.0000000000
|
|
3257 1214 TIP3 H1 43.9469330380 27.7225921007 10.2072922965 SOLV 1013 0.0000000000
|
|
3258 1214 TIP3 H2 44.0094495306 28.4271605288 11.5672313356 SOLV 1013 0.0000000000
|
|
3259 1215 TIP3 OH2 44.7969326455 32.0326390414 15.7020548692 SOLV 1014 0.0000000000
|
|
3260 1215 TIP3 H1 44.1250152174 32.5844275064 16.1615223014 SOLV 1014 0.0000000000
|
|
3261 1215 TIP3 H2 44.3568134180 31.9043063313 14.8335982587 SOLV 1014 0.0000000000
|
|
3262 1216 TIP3 OH2 41.8066778304 28.0646334927 15.1920583848 SOLV 1015 0.0000000000
|
|
3263 1216 TIP3 H1 41.8070360563 28.9091891477 15.6855620350 SOLV 1015 0.0000000000
|
|
3264 1216 TIP3 H2 40.8508847100 27.8979598986 15.1457196369 SOLV 1015 0.0000000000
|
|
3265 1217 TIP3 OH2 48.9412884053 34.2875316444 6.4615802557 SOLV 1016 0.0000000000
|
|
3266 1217 TIP3 H1 48.7006011115 34.8073579292 7.2634394402 SOLV 1016 0.0000000000
|
|
3267 1217 TIP3 H2 48.7438482613 34.8993247204 5.7380809839 SOLV 1016 0.0000000000
|
|
3268 1218 TIP3 OH2 42.8484603613 33.8699160121 16.2441472748 SOLV 1017 0.0000000000
|
|
3269 1218 TIP3 H1 42.8116166064 34.2511310391 15.3476093929 SOLV 1017 0.0000000000
|
|
3270 1218 TIP3 H2 41.8909861423 33.8145388300 16.4860983586 SOLV 1017 0.0000000000
|
|
3271 1219 TIP3 OH2 42.5760788928 27.9546711969 4.8287506450 SOLV 1018 0.0000000000
|
|
3272 1219 TIP3 H1 42.1259135821 28.7144567475 4.3994775979 SOLV 1018 0.0000000000
|
|
3273 1219 TIP3 H2 42.0441893540 27.2040585483 4.5098886128 SOLV 1018 0.0000000000
|
|
3274 1220 TIP3 OH2 38.4959406829 30.4249615796 14.0380001028 SOLV 1019 0.0000000000
|
|
3275 1220 TIP3 H1 38.0080924091 30.5318900074 13.2070560806 SOLV 1019 0.0000000000
|
|
3276 1220 TIP3 H2 38.8720879091 29.5346052393 13.9167923380 SOLV 1019 0.0000000000
|
|
3277 1221 TIP3 OH2 38.7735613529 33.0541197620 10.3862650838 SOLV 1020 0.0000000000
|
|
3278 1221 TIP3 H1 39.7350756277 33.0344662540 10.3533194060 SOLV 1020 0.0000000000
|
|
3279 1221 TIP3 H2 38.6148796488 33.6718635910 11.1222098035 SOLV 1020 0.0000000000
|
|
3280 1222 TIP3 OH2 47.1741215002 33.3250039580 15.1959456474 SOLV 1021 0.0000000000
|
|
3281 1222 TIP3 H1 47.1270122923 34.2355350992 15.5146083696 SOLV 1021 0.0000000000
|
|
3282 1222 TIP3 H2 46.2778818145 32.9592592364 15.4140948904 SOLV 1021 0.0000000000
|
|
3283 1223 TIP3 OH2 48.2925839666 37.0352291198 4.8613831665 SOLV 1022 0.0000000000
|
|
3284 1223 TIP3 H1 47.7616286558 36.9773967444 4.0574336509 SOLV 1022 0.0000000000
|
|
3285 1223 TIP3 H2 47.9628330009 37.8650074040 5.2615899518 SOLV 1022 0.0000000000
|
|
3286 1224 TIP3 OH2 41.6268735402 35.7422335373 6.9436007027 SOLV 1023 0.0000000000
|
|
3287 1224 TIP3 H1 41.7548816945 35.3401706018 7.8335568391 SOLV 1023 0.0000000000
|
|
3288 1224 TIP3 H2 41.1270268028 35.0347774088 6.4904516429 SOLV 1023 0.0000000000
|
|
3289 1225 TIP3 OH2 40.8600191457 31.8688624348 14.5961986719 SOLV 1024 0.0000000000
|
|
3290 1225 TIP3 H1 40.8802500752 31.5111002555 15.5032108414 SOLV 1024 0.0000000000
|
|
3291 1225 TIP3 H2 40.0518943550 31.4352863422 14.2403340503 SOLV 1024 0.0000000000
|
|
3292 1226 TIP3 OH2 43.4400333270 20.1356635795 10.8346602909 SOLV 1025 0.0000000000
|
|
3293 1226 TIP3 H1 42.5908159291 19.9873463678 10.3587979319 SOLV 1025 0.0000000000
|
|
3294 1226 TIP3 H2 43.1551060536 20.7885331485 11.5091493202 SOLV 1025 0.0000000000
|
|
3295 1227 TIP3 OH2 48.1762391531 19.6979190601 14.0451740054 SOLV 1026 0.0000000000
|
|
3296 1227 TIP3 H1 48.4762646681 19.1939375324 14.8299519831 SOLV 1026 0.0000000000
|
|
3297 1227 TIP3 H2 47.1883134225 19.6100629004 14.0894335995 SOLV 1026 0.0000000000
|
|
3298 1228 TIP3 OH2 47.5792984780 22.8560192397 1.5654859693 SOLV 1027 0.0000000000
|
|
3299 1228 TIP3 H1 46.9451230024 22.4384442091 2.1823858987 SOLV 1027 0.0000000000
|
|
3300 1228 TIP3 H2 48.1746093786 22.1206900738 1.3691762486 SOLV 1027 0.0000000000
|
|
3301 1229 TIP3 OH2 43.6112878676 25.3608038454 12.1290982744 SOLV 1028 0.0000000000
|
|
3302 1229 TIP3 H1 42.7938622189 25.2732222063 12.6868878802 SOLV 1028 0.0000000000
|
|
3303 1229 TIP3 H2 43.5258423495 26.2943091892 11.8313969385 SOLV 1028 0.0000000000
|
|
3304 1230 TIP3 OH2 43.3874984449 25.3375926719 7.2754688460 SOLV 1029 0.0000000000
|
|
3305 1230 TIP3 H1 42.4150308343 25.2159252412 7.2017236237 SOLV 1029 0.0000000000
|
|
3306 1230 TIP3 H2 43.6649384268 25.1433422937 6.3667057710 SOLV 1029 0.0000000000
|
|
3307 1231 TIP3 OH2 48.0918579775 25.8090453575 5.1930396606 SOLV 1030 0.0000000000
|
|
3308 1231 TIP3 H1 47.9996218548 26.6417551857 4.6975855808 SOLV 1030 0.0000000000
|
|
3309 1231 TIP3 H2 49.0450854910 25.8132717505 5.4637302850 SOLV 1030 0.0000000000
|
|
3310 1232 TIP3 OH2 48.1285428946 25.8172669214 16.8842253709 SOLV 1031 0.0000000000
|
|
3311 1232 TIP3 H1 47.7026694478 25.0729417531 17.3728143504 SOLV 1031 0.0000000000
|
|
3312 1232 TIP3 H2 49.0492806481 25.7391627050 17.1798596579 SOLV 1031 0.0000000000
|
|
3313 1233 TIP3 OH2 41.4558112770 25.2851633121 13.5471325275 SOLV 1032 0.0000000000
|
|
3314 1233 TIP3 H1 41.6537693752 25.6601698837 14.4193584480 SOLV 1032 0.0000000000
|
|
3315 1233 TIP3 H2 40.9477780803 24.4794476387 13.8006883638 SOLV 1032 0.0000000000
|
|
3316 1234 TIP3 OH2 43.7625367348 22.7254839908 0.0842422957 SOLV 1033 0.0000000000
|
|
3317 1234 TIP3 H1 43.6881940349 22.5424229637 1.0515446814 SOLV 1033 0.0000000000
|
|
3318 1234 TIP3 H2 43.4836139560 23.6605175224 0.0416961039 SOLV 1033 0.0000000000
|
|
3319 1235 TIP3 OH2 38.1285989609 22.2660284863 7.6214936037 SOLV 1034 0.0000000000
|
|
3320 1235 TIP3 H1 38.6743091403 22.2442904288 8.4320638444 SOLV 1034 0.0000000000
|
|
3321 1235 TIP3 H2 38.6906389254 21.8656439792 6.9445752044 SOLV 1034 0.0000000000
|
|
3322 1236 TIP3 OH2 38.4392355478 23.0640218778 2.8423690209 SOLV 1035 0.0000000000
|
|
3323 1236 TIP3 H1 39.3435104444 23.2345919344 2.5625186197 SOLV 1035 0.0000000000
|
|
3324 1236 TIP3 H2 38.1698915893 23.9477170347 3.1559962871 SOLV 1035 0.0000000000
|
|
3325 1237 TIP3 OH2 48.9593714064 26.8049874976 13.2020248902 SOLV 1036 0.0000000000
|
|
3326 1237 TIP3 H1 49.3535414631 26.3646828432 12.4266034720 SOLV 1036 0.0000000000
|
|
3327 1237 TIP3 H2 48.4905005207 26.0688468865 13.6342740332 SOLV 1036 0.0000000000
|
|
3328 1238 TIP3 OH2 46.3044801628 22.9412664688 7.9814093530 SOLV 1037 0.0000000000
|
|
3329 1238 TIP3 H1 45.4456231372 22.9371237283 8.4333301358 SOLV 1037 0.0000000000
|
|
3330 1238 TIP3 H2 46.7654015287 22.2179086245 8.4372502462 SOLV 1037 0.0000000000
|
|
3331 1239 TIP3 OH2 40.8321698661 24.3927564325 6.8937508759 SOLV 1038 0.0000000000
|
|
3332 1239 TIP3 H1 40.1539275039 24.7830441545 6.2992794286 SOLV 1038 0.0000000000
|
|
3333 1239 TIP3 H2 41.0657138466 23.5460097975 6.4697201898 SOLV 1038 0.0000000000
|
|
3334 1240 TIP3 OH2 43.7963962633 24.3483023648 4.5893311311 SOLV 1039 0.0000000000
|
|
3335 1240 TIP3 H1 44.7497638333 24.1905725203 4.7942119968 SOLV 1039 0.0000000000
|
|
3336 1240 TIP3 H2 43.8489969406 25.1009305173 3.9671112041 SOLV 1039 0.0000000000
|
|
3337 1241 TIP3 OH2 43.2325835631 26.1594835756 2.5433546904 SOLV 1040 0.0000000000
|
|
3338 1241 TIP3 H1 42.4935004117 25.5614866847 2.3249733371 SOLV 1040 0.0000000000
|
|
3339 1241 TIP3 H2 43.8340565934 26.0628542167 1.7832952686 SOLV 1040 0.0000000000
|
|
3340 1242 TIP3 OH2 41.4884152921 30.3155136621 16.9080972157 SOLV 1041 0.0000000000
|
|
3341 1242 TIP3 H1 42.2861012103 30.2685153241 17.4705546426 SOLV 1041 0.0000000000
|
|
3342 1242 TIP3 H2 40.7854841585 30.4447254775 17.5773638955 SOLV 1041 0.0000000000
|
|
3343 1243 TIP3 OH2 46.8119484510 25.6633839303 9.9157470937 SOLV 1042 0.0000000000
|
|
3344 1243 TIP3 H1 47.6083870457 25.1159359999 9.8113290921 SOLV 1042 0.0000000000
|
|
3345 1243 TIP3 H2 46.3978326087 25.2384036324 10.6938120603 SOLV 1042 0.0000000000
|
|
3346 1244 TIP3 OH2 41.8403004263 21.8146088803 6.4557537064 SOLV 1043 0.0000000000
|
|
3347 1244 TIP3 H1 41.3725618832 21.0174556731 6.7877086705 SOLV 1043 0.0000000000
|
|
3348 1244 TIP3 H2 42.4567037185 21.4011673248 5.8434675626 SOLV 1043 0.0000000000
|
|
3349 1245 TIP3 OH2 45.9039730925 24.0907966247 12.2120449128 SOLV 1044 0.0000000000
|
|
3350 1245 TIP3 H1 45.0721242338 24.6225456722 12.2347555203 SOLV 1044 0.0000000000
|
|
3351 1245 TIP3 H2 46.3982019241 24.5064311647 12.9481391573 SOLV 1044 0.0000000000
|
|
3352 1246 TIP3 OH2 46.4167921897 30.2639988682 3.6754126246 SOLV 1045 0.0000000000
|
|
3353 1246 TIP3 H1 45.6823072425 29.8273321313 3.2022805761 SOLV 1045 0.0000000000
|
|
3354 1246 TIP3 H2 45.9681849793 30.5471072986 4.5062614555 SOLV 1045 0.0000000000
|
|
3355 1247 TIP3 OH2 47.9953801639 30.8183348329 14.4685312329 SOLV 1046 0.0000000000
|
|
3356 1247 TIP3 H1 47.9112727608 30.4683414656 15.3556946187 SOLV 1046 0.0000000000
|
|
3357 1247 TIP3 H2 47.9153946538 31.7867014629 14.6181735356 SOLV 1046 0.0000000000
|
|
3358 1248 TIP3 OH2 41.9386176585 29.7917599078 9.4192682180 SOLV 1047 0.0000000000
|
|
3359 1248 TIP3 H1 42.3860901851 29.6144496393 8.5645654002 SOLV 1047 0.0000000000
|
|
3360 1248 TIP3 H2 42.4129532092 29.1704709689 9.9931759280 SOLV 1047 0.0000000000
|
|
3361 1249 TIP3 OH2 48.7198912379 31.5535130667 3.3734319151 SOLV 1048 0.0000000000
|
|
3362 1249 TIP3 H1 48.3076508199 32.4503110810 3.4753155235 SOLV 1048 0.0000000000
|
|
3363 1249 TIP3 H2 47.9104617823 30.9975889525 3.4134059740 SOLV 1048 0.0000000000
|
|
3364 1250 TIP3 OH2 38.9470563684 27.6703696995 14.8303676431 SOLV 1049 0.0000000000
|
|
3365 1250 TIP3 H1 38.5500423658 27.2324623976 15.6078956534 SOLV 1049 0.0000000000
|
|
3366 1250 TIP3 H2 38.2145573809 27.5978404265 14.1808836717 SOLV 1049 0.0000000000
|
|
3367 1251 TIP3 OH2 45.8996336190 27.7106617950 16.9245747504 SOLV 1050 0.0000000000
|
|
3368 1251 TIP3 H1 45.2605269176 27.2869716063 16.3074328541 SOLV 1050 0.0000000000
|
|
3369 1251 TIP3 H2 46.6674875086 27.1480623085 16.8007861091 SOLV 1050 0.0000000000
|
|
3370 1252 TIP3 OH2 44.1436492089 33.2502800504 7.1636028162 SOLV 1051 0.0000000000
|
|
3371 1252 TIP3 H1 44.3828948081 34.1127295013 6.7549143116 SOLV 1051 0.0000000000
|
|
3372 1252 TIP3 H2 43.1984672035 33.2077179450 6.9963981934 SOLV 1051 0.0000000000
|
|
3373 1253 TIP3 OH2 40.1174271840 27.8151493431 1.7881735930 SOLV 1052 0.0000000000
|
|
3374 1253 TIP3 H1 40.5538870131 28.3673348351 2.4690646161 SOLV 1052 0.0000000000
|
|
3375 1253 TIP3 H2 39.1829302037 27.9371194845 2.0441619811 SOLV 1052 0.0000000000
|
|
3376 1254 TIP3 OH2 45.1403100675 31.0071202950 6.0293885722 SOLV 1053 0.0000000000
|
|
3377 1254 TIP3 H1 44.7994082888 31.8343996981 6.4395530185 SOLV 1053 0.0000000000
|
|
3378 1254 TIP3 H2 44.8707604882 30.3489289212 6.6855148877 SOLV 1053 0.0000000000
|
|
3379 1255 TIP3 OH2 46.0527758758 34.8825915619 13.1242574231 SOLV 1054 0.0000000000
|
|
3380 1255 TIP3 H1 46.7321040905 35.4535777741 12.7149654587 SOLV 1054 0.0000000000
|
|
3381 1255 TIP3 H2 46.6192443280 34.2113646071 13.5460841994 SOLV 1054 0.0000000000
|
|
3382 1256 TIP3 OH2 44.1088465416 35.8165688236 5.9394199765 SOLV 1055 0.0000000000
|
|
3383 1256 TIP3 H1 43.1881441464 35.8631629519 6.2991764778 SOLV 1055 0.0000000000
|
|
3384 1256 TIP3 H2 44.5028885284 36.5912866896 6.4060847166 SOLV 1055 0.0000000000
|
|
3385 1257 TIP3 OH2 49.5356469363 30.9489659043 12.1856942606 SOLV 1056 0.0000000000
|
|
3386 1257 TIP3 H1 48.8705989623 30.7165763222 12.8782128040 SOLV 1056 0.0000000000
|
|
3387 1257 TIP3 H2 49.7768293993 30.0739651877 11.8220184091 SOLV 1056 0.0000000000
|
|
3388 1258 TIP3 OH2 40.3344650225 22.8978633185 14.1793467557 SOLV 1057 0.0000000000
|
|
3389 1258 TIP3 H1 39.4136676969 23.1496010680 13.9941110800 SOLV 1057 0.0000000000
|
|
3390 1258 TIP3 H2 40.2051473781 22.2430279902 14.8861077570 SOLV 1057 0.0000000000
|
|
3391 1259 TIP3 OH2 40.1616090067 34.4740819620 12.7908851243 SOLV 1058 0.0000000000
|
|
3392 1259 TIP3 H1 40.6732244254 33.6650184695 12.9515535606 SOLV 1058 0.0000000000
|
|
3393 1259 TIP3 H2 40.4721658355 35.0369271390 13.5124637230 SOLV 1058 0.0000000000
|
|
3394 1260 TIP3 OH2 45.6320183363 33.2302933603 0.1756019040 SOLV 1059 0.0000000000
|
|
3395 1260 TIP3 H1 46.2401064297 32.4822339758 0.0742307948 SOLV 1059 0.0000000000
|
|
3396 1260 TIP3 H2 45.0983848351 32.9177138289 0.9405869725 SOLV 1059 0.0000000000
|
|
3397 1261 TIP3 OH2 44.6045796489 32.6249946642 2.6705369747 SOLV 1060 0.0000000000
|
|
3398 1261 TIP3 H1 45.2036154473 32.0792877860 3.2210584597 SOLV 1060 0.0000000000
|
|
3399 1261 TIP3 H2 44.7895768223 33.5336794596 2.9806466758 SOLV 1060 0.0000000000
|
|
3400 1262 TIP3 OH2 41.0740592386 29.7753057484 3.3772326229 SOLV 1061 0.0000000000
|
|
3401 1262 TIP3 H1 40.2913734881 30.1891093495 3.8095151953 SOLV 1061 0.0000000000
|
|
3402 1262 TIP3 H2 41.4750869821 30.5682661004 2.9607303099 SOLV 1061 0.0000000000
|
|
3403 1263 TIP3 OH2 48.6225208335 22.4247338955 14.4500697496 SOLV 1062 0.0000000000
|
|
3404 1263 TIP3 H1 48.9227168796 22.2604668271 15.3633459564 SOLV 1062 0.0000000000
|
|
3405 1263 TIP3 H2 48.4468345444 21.5101859386 14.1521655929 SOLV 1062 0.0000000000
|
|
3406 1264 TIP3 OH2 48.9131102064 22.7414325805 4.9363844860 SOLV 1063 0.0000000000
|
|
3407 1264 TIP3 H1 49.4573454056 23.1381596618 4.2347771948 SOLV 1063 0.0000000000
|
|
3408 1264 TIP3 H2 49.2589855555 23.2289893522 5.7113183658 SOLV 1063 0.0000000000
|
|
3409 1265 TIP3 OH2 47.5551781968 33.9687007489 3.3943592298 SOLV 1064 0.0000000000
|
|
3410 1265 TIP3 H1 46.8123741386 34.4696719292 3.7979811585 SOLV 1064 0.0000000000
|
|
3411 1265 TIP3 H2 47.5974680440 34.3690479064 2.5042461299 SOLV 1064 0.0000000000
|
|
3412 1266 TIP3 OH2 46.1895250107 23.8385518531 5.4767578489 SOLV 1065 0.0000000000
|
|
3413 1266 TIP3 H1 46.9149791977 24.5024451990 5.4683124022 SOLV 1065 0.0000000000
|
|
3414 1266 TIP3 H2 46.1741845020 23.5678617344 6.4314578658 SOLV 1065 0.0000000000
|
|
3415 1267 TIP3 OH2 47.3799182887 24.8733573508 14.4113932936 SOLV 1066 0.0000000000
|
|
3416 1267 TIP3 H1 47.5653172850 25.2048924861 15.3058448603 SOLV 1066 0.0000000000
|
|
3417 1267 TIP3 H2 47.9532614274 24.0700769096 14.3429387097 SOLV 1066 0.0000000000
|
|
3418 1268 TIP3 OH2 47.4603908343 20.5627192935 6.1403218729 SOLV 1067 0.0000000000
|
|
3419 1268 TIP3 H1 47.5950096138 20.6615240982 7.1073870174 SOLV 1067 0.0000000000
|
|
3420 1268 TIP3 H2 47.9899202935 21.3149235703 5.7850632369 SOLV 1067 0.0000000000
|
|
3421 1269 TIP3 OH2 45.1809789819 35.0138460812 3.6969825517 SOLV 1068 0.0000000000
|
|
3422 1269 TIP3 H1 45.1548050492 35.7980151195 3.0977764651 SOLV 1068 0.0000000000
|
|
3423 1269 TIP3 H2 44.6865875899 35.3749194306 4.4675685030 SOLV 1068 0.0000000000
|
|
3424 1270 TIP3 OH2 43.6288571097 22.3166697417 2.7443860059 SOLV 1069 0.0000000000
|
|
3425 1270 TIP3 H1 43.4521481759 22.9233770954 3.5021542193 SOLV 1069 0.0000000000
|
|
3426 1270 TIP3 H2 44.5288121383 22.0322693938 3.0257267222 SOLV 1069 0.0000000000
|
|
3427 1271 TIP3 OH2 41.9537319025 32.0259271261 2.1497199587 SOLV 1070 0.0000000000
|
|
3428 1271 TIP3 H1 42.7923503094 32.4812164303 2.4049335566 SOLV 1070 0.0000000000
|
|
3429 1271 TIP3 H2 42.3271725413 31.4326668015 1.4655929410 SOLV 1070 0.0000000000
|
|
3430 1272 TIP3 OH2 40.5705126073 25.2257523922 1.0611523295 SOLV 1071 0.0000000000
|
|
3431 1272 TIP3 H1 40.3877117234 26.1569565669 1.3241360879 SOLV 1071 0.0000000000
|
|
3432 1272 TIP3 H2 39.6964350945 24.9147384725 0.7910312481 SOLV 1071 0.0000000000
|
|
3433 1273 TIP3 OH2 41.1024373305 19.7279989305 9.7648073396 SOLV 1072 0.0000000000
|
|
3434 1273 TIP3 H1 40.9047735223 19.6378395354 8.8097668526 SOLV 1072 0.0000000000
|
|
3435 1273 TIP3 H2 40.7198765432 18.8906787641 10.1019210122 SOLV 1072 0.0000000000
|
|
3436 1274 TIP3 OH2 39.7979585009 33.9301824205 6.0083384948 SOLV 1073 0.0000000000
|
|
3437 1274 TIP3 H1 39.1049512352 34.2753909644 6.6024201501 SOLV 1073 0.0000000000
|
|
3438 1274 TIP3 H2 39.6430847549 34.4768392788 5.1992396074 SOLV 1073 0.0000000000
|
|
3439 1275 TIP3 OH2 39.2832423113 36.8684670340 17.5324692122 SOLV 1074 0.0000000000
|
|
3440 1275 TIP3 H1 39.7909343467 36.6436432241 18.3498643967 SOLV 1074 0.0000000000
|
|
3441 1275 TIP3 H2 39.3511437671 35.9968235676 17.1034836591 SOLV 1074 0.0000000000
|
|
3442 1276 TIP3 OH2 43.2779383347 34.9154352289 18.6371334372 SOLV 1075 0.0000000000
|
|
3443 1276 TIP3 H1 44.1670321982 34.5971547407 18.8984294008 SOLV 1075 0.0000000000
|
|
3444 1276 TIP3 H2 43.2091735167 34.6004870596 17.7032563407 SOLV 1075 0.0000000000
|
|
3445 1277 TIP3 OH2 47.8431536591 34.7412793740 0.8201038380 SOLV 1076 0.0000000000
|
|
3446 1277 TIP3 H1 47.0219863281 34.3365025113 0.4504764563 SOLV 1076 0.0000000000
|
|
3447 1277 TIP3 H2 48.5246834635 34.2651057583 0.3319556208 SOLV 1076 0.0000000000
|
|
3448 1278 TIP3 OH2 39.1203491794 30.5710593998 18.2268187506 SOLV 1077 0.0000000000
|
|
3449 1278 TIP3 H1 39.0639864239 29.5963788463 18.2814004412 SOLV 1077 0.0000000000
|
|
3450 1278 TIP3 H2 38.4502675845 30.7580321921 17.5363624757 SOLV 1077 0.0000000000
|
|
3451 1279 TIP3 OH2 43.8195768101 30.3237321924 0.2690413580 SOLV 1078 0.0000000000
|
|
3452 1279 TIP3 H1 44.0792850883 29.8670389349 1.0888296753 SOLV 1078 0.0000000000
|
|
3453 1279 TIP3 H2 44.5026408787 29.9637836153 -0.3235716637 SOLV 1078 0.0000000000
|
|
3454 1280 TIP3 OH2 45.7010545284 30.4170268529 17.7269570874 SOLV 1079 0.0000000000
|
|
3455 1280 TIP3 H1 45.4230128069 30.8858146836 16.9060430467 SOLV 1079 0.0000000000
|
|
3456 1280 TIP3 H2 45.9422620570 29.5176675535 17.4049556845 SOLV 1079 0.0000000000
|
|
3457 1281 TIP3 OH2 48.6134908229 31.4639371553 0.2838506162 SOLV 1080 0.0000000000
|
|
3458 1281 TIP3 H1 48.6286014078 31.5295244609 1.2535536410 SOLV 1080 0.0000000000
|
|
3459 1281 TIP3 H2 49.5356802541 31.2864964763 0.0789521810 SOLV 1080 0.0000000000
|
|
3460 1282 TIP3 OH2 39.9819983000 27.8212053868 18.0122603060 SOLV 1081 0.0000000000
|
|
3461 1282 TIP3 H1 40.8626317117 27.5391314681 17.7160614381 SOLV 1081 0.0000000000
|
|
3462 1282 TIP3 H2 40.0361033068 27.7566585649 18.9918667377 SOLV 1081 0.0000000000
|
|
3463 1283 TIP3 OH2 44.4394980543 28.7159123145 2.4544570279 SOLV 1082 0.0000000000
|
|
3464 1283 TIP3 H1 44.0520535965 28.1479191945 3.1494508286 SOLV 1082 0.0000000000
|
|
3465 1283 TIP3 H2 44.8545674076 28.0364385316 1.8800361455 SOLV 1082 0.0000000000
|
|
3466 1284 TIP3 OH2 43.8980721604 26.4797705552 15.0948652253 SOLV 1083 0.0000000000
|
|
3467 1284 TIP3 H1 43.1574094209 27.1210538546 15.1761124227 SOLV 1083 0.0000000000
|
|
3468 1284 TIP3 H2 44.4213981473 26.9174447579 14.3837192794 SOLV 1083 0.0000000000
|
|
3469 1285 TIP3 OH2 45.8449273617 27.0788522898 0.6982993083 SOLV 1084 0.0000000000
|
|
3470 1285 TIP3 H1 45.9358669565 26.1456736889 0.4986270428 SOLV 1084 0.0000000000
|
|
3471 1285 TIP3 H2 46.7948947575 27.2892431743 0.8380858328 SOLV 1084 0.0000000000
|
|
3472 1286 TIP3 OH2 49.1252506489 28.8612093386 18.6414045763 SOLV 1085 0.0000000000
|
|
3473 1286 TIP3 H1 49.6604370544 28.1553522483 18.2435851806 SOLV 1085 0.0000000000
|
|
3474 1286 TIP3 H2 48.6406504755 28.3600900995 19.3179077370 SOLV 1085 0.0000000000
|
|
3475 1287 TIP3 OH2 44.4262868559 23.9997093258 15.9227485160 SOLV 1086 0.0000000000
|
|
3476 1287 TIP3 H1 44.6060769626 23.4058094628 15.1603110553 SOLV 1086 0.0000000000
|
|
3477 1287 TIP3 H2 44.2991540783 24.8828930733 15.4745782315 SOLV 1086 0.0000000000
|
|
3478 1288 TIP3 OH2 44.8803324504 22.1411602936 13.7536286333 SOLV 1087 0.0000000000
|
|
3479 1288 TIP3 H1 45.3621538394 22.7207332342 13.1435067870 SOLV 1087 0.0000000000
|
|
3480 1288 TIP3 H2 44.0170296017 22.1354201952 13.2811343673 SOLV 1087 0.0000000000
|
|
3481 1289 TIP3 OH2 45.8199151593 27.7683815434 13.6891276366 SOLV 1088 0.0000000000
|
|
3482 1289 TIP3 H1 46.7874788101 27.7180866273 13.6499953624 SOLV 1088 0.0000000000
|
|
3483 1289 TIP3 H2 45.6239339954 28.5933261724 13.2003730805 SOLV 1088 0.0000000000
|
|
3484 1290 TIP3 OH2 42.9570618812 24.6346233497 18.1644137418 SOLV 1089 0.0000000000
|
|
3485 1290 TIP3 H1 42.0731529762 24.2134390207 18.0718980834 SOLV 1089 0.0000000000
|
|
3486 1290 TIP3 H2 43.4109636480 24.3426661916 17.3452753283 SOLV 1089 0.0000000000
|
|
3487 1291 TIP3 OH2 45.4518374313 19.5378511186 14.2054515968 SOLV 1090 0.0000000000
|
|
3488 1291 TIP3 H1 45.2765780206 20.4954439437 14.0744554211 SOLV 1090 0.0000000000
|
|
3489 1291 TIP3 H2 44.6395454012 19.1393760355 13.8206779117 SOLV 1090 0.0000000000
|
|
3490 1292 TIP3 OH2 46.5349339692 23.7601890986 17.7234721538 SOLV 1091 0.0000000000
|
|
3491 1292 TIP3 H1 45.9870912032 23.3525355140 18.4356239813 SOLV 1091 0.0000000000
|
|
3492 1292 TIP3 H2 45.8872131123 23.7962040395 16.9812647354 SOLV 1091 0.0000000000
|
|
3493 1293 TIP3 OH2 48.9036280843 22.5538754919 17.1836619292 SOLV 1092 0.0000000000
|
|
3494 1293 TIP3 H1 48.0005474120 22.9374009409 17.2086693876 SOLV 1092 0.0000000000
|
|
3495 1293 TIP3 H2 48.8220980866 21.8090974183 17.8051794069 SOLV 1092 0.0000000000
|
|
3496 1294 TIP3 OH2 40.7821822703 22.9149247866 18.0832109965 SOLV 1093 0.0000000000
|
|
3497 1294 TIP3 H1 40.8810410270 22.0930556731 17.5351224798 SOLV 1093 0.0000000000
|
|
3498 1294 TIP3 H2 40.8937836792 22.5829775303 19.0008138875 SOLV 1093 0.0000000000
|
|
3499 1295 TIP3 OH2 45.5816332557 18.9136131448 17.0789831753 SOLV 1094 0.0000000000
|
|
3500 1295 TIP3 H1 46.1612533384 18.1299684182 17.1038086493 SOLV 1094 0.0000000000
|
|
3501 1295 TIP3 H2 45.4394425115 18.9824817535 16.1162890549 SOLV 1094 0.0000000000
|
|
3502 1296 TIP3 OH2 46.0260102076 20.4800521664 19.2215468070 SOLV 1095 0.0000000000
|
|
3503 1296 TIP3 H1 45.8296598010 19.9286064575 18.4276237768 SOLV 1095 0.0000000000
|
|
3504 1296 TIP3 H2 45.4583464803 21.2726512107 19.0520708372 SOLV 1095 0.0000000000
|
|
3505 1297 TIP3 OH2 45.5066146951 37.3084539178 2.3260127571 SOLV 1096 0.0000000000
|
|
3506 1297 TIP3 H1 46.3805232716 37.3916906977 1.9005076719 SOLV 1096 0.0000000000
|
|
3507 1297 TIP3 H2 45.1946480286 38.2224873756 2.3177010590 SOLV 1096 0.0000000000
|
|
3508 1298 TIP3 OH2 39.1662736768 32.4372065404 1.6311213894 SOLV 1097 0.0000000000
|
|
3509 1298 TIP3 H1 40.1352345733 32.2787440814 1.6641072602 SOLV 1097 0.0000000000
|
|
3510 1298 TIP3 H2 38.8921541322 31.8046231135 0.9257827181 SOLV 1097 0.0000000000
|
|
3511 1299 TIP3 OH2 38.0952848321 37.1059159009 6.5560426172 SOLV 1098 0.0000000000
|
|
3512 1299 TIP3 H1 37.4005248235 36.6412939096 6.0503987009 SOLV 1098 0.0000000000
|
|
3513 1299 TIP3 H2 38.2581943515 36.4793256660 7.2937909269 SOLV 1098 0.0000000000
|
|
3514 1300 TIP3 OH2 38.7128891232 35.2705959013 8.5324963373 SOLV 1099 0.0000000000
|
|
3515 1300 TIP3 H1 38.2953898775 34.4768678717 8.9176536500 SOLV 1099 0.0000000000
|
|
3516 1300 TIP3 H2 39.1889641364 35.6517257858 9.2927730250 SOLV 1099 0.0000000000
|
|
3517 1301 TIP3 OH2 38.6378715833 28.7802893417 11.0169010202 SOLV 1100 0.0000000000
|
|
3518 1301 TIP3 H1 38.5665546684 28.4435982129 10.0948988126 SOLV 1100 0.0000000000
|
|
3519 1301 TIP3 H2 39.4614802576 28.3265573686 11.3138523314 SOLV 1100 0.0000000000
|
|
3520 1302 TIP3 OH2 38.3926019520 23.8654767233 17.1789656148 SOLV 1101 0.0000000000
|
|
3521 1302 TIP3 H1 39.2923743716 23.6528300707 17.5140150823 SOLV 1101 0.0000000000
|
|
3522 1302 TIP3 H2 38.0024006631 22.9809612343 17.0629621867 SOLV 1101 0.0000000000
|
|
3523 1303 TIP3 OH2 39.5219363135 21.9860074680 9.9539636817 SOLV 1102 0.0000000000
|
|
3524 1303 TIP3 H1 40.1080046469 21.2038224927 10.0393641401 SOLV 1102 0.0000000000
|
|
3525 1303 TIP3 H2 40.1453203966 22.7080222752 9.8436968527 SOLV 1102 0.0000000000
|
|
3526 1304 TIP3 OH2 37.8935996281 25.1358516832 10.7656563965 SOLV 1103 0.0000000000
|
|
3527 1304 TIP3 H1 38.6822887010 25.2001368675 10.1788097840 SOLV 1103 0.0000000000
|
|
3528 1304 TIP3 H2 38.2099759626 25.4666156473 11.6118721318 SOLV 1103 0.0000000000
|
|
3529 1305 TIP3 OH2 38.1948889212 21.2320047634 4.8744097504 SOLV 1104 0.0000000000
|
|
3530 1305 TIP3 H1 37.2252661804 21.3050425853 4.9420976751 SOLV 1104 0.0000000000
|
|
3531 1305 TIP3 H2 38.3664373529 21.9419619316 4.2217868105 SOLV 1104 0.0000000000
|
|
3532 1306 TIP3 OH2 38.2372829581 20.2221376378 13.2493133141 SOLV 1105 0.0000000000
|
|
3533 1306 TIP3 H1 37.5532940247 19.8340146863 13.8133293685 SOLV 1105 0.0000000000
|
|
3534 1306 TIP3 H2 37.7246386330 20.8256716861 12.6832424245 SOLV 1105 0.0000000000
|
|
3535 1307 TIP3 OH2 40.3153308854 33.7957065529 17.1374992260 SOLV 1106 0.0000000000
|
|
3536 1307 TIP3 H1 39.3972613930 33.8974012801 16.8363831794 SOLV 1106 0.0000000000
|
|
3537 1307 TIP3 H2 40.1873895027 33.3919743627 18.0080130957 SOLV 1106 0.0000000000
|
|
3538 1308 TIP3 OH2 43.4327723578 34.7745570039 13.7837384561 SOLV 1107 0.0000000000
|
|
3539 1308 TIP3 H1 43.4004148674 35.7420693419 13.5664306130 SOLV 1107 0.0000000000
|
|
3540 1308 TIP3 H2 44.3986478436 34.6488224659 13.6710976384 SOLV 1107 0.0000000000
|
|
3541 1309 TIP3 OH2 47.4177124773 35.9093783003 16.7332296290 SOLV 1108 0.0000000000
|
|
3542 1309 TIP3 H1 47.6070079209 35.3194920116 17.4931386882 SOLV 1108 0.0000000000
|
|
3543 1309 TIP3 H2 48.3158072503 36.1280214769 16.4078541826 SOLV 1108 0.0000000000
|
|
3544 1310 TIP3 OH2 -0.1873743849 36.9470963387 15.7109667297 SOLV 1109 0.0000000000
|
|
3545 1310 TIP3 H1 0.4657100462 36.7484394252 15.0248934466 SOLV 1109 0.0000000000
|
|
3546 1310 TIP3 H2 0.3687295920 36.9276303592 16.5086745417 SOLV 1109 0.0000000000
|
|
3547 1311 TIP3 OH2 40.6113487717 37.7254857812 13.6729907252 SOLV 1110 0.0000000000
|
|
3548 1311 TIP3 H1 39.7674718912 38.1244703330 13.3819279348 SOLV 1110 0.0000000000
|
|
3549 1311 TIP3 H2 40.6618882864 38.0841535171 14.5697722687 SOLV 1110 0.0000000000
|
|
3550 1312 TIP3 OH2 43.1508540848 37.2617535261 12.9216832916 SOLV 1111 0.0000000000
|
|
3551 1312 TIP3 H1 42.1986672046 37.4165518160 13.1538790667 SOLV 1111 0.0000000000
|
|
3552 1312 TIP3 H2 43.2353275797 37.8336361691 12.1396094671 SOLV 1111 0.0000000000
|
|
3553 1313 TIP3 OH2 47.6553243551 36.7939167669 11.7673801656 SOLV 1112 0.0000000000
|
|
3554 1313 TIP3 H1 47.0741633339 37.3377239818 11.1987914766 SOLV 1112 0.0000000000
|
|
3555 1313 TIP3 H2 47.9255954657 37.4092461424 12.4548846675 SOLV 1112 0.0000000000
|
|
3556 1314 TIP3 OH2 40.1971822265 36.1336691337 10.6456144296 SOLV 1113 0.0000000000
|
|
3557 1314 TIP3 H1 40.0596086487 35.5711736644 11.4432823866 SOLV 1113 0.0000000000
|
|
3558 1314 TIP3 H2 41.0780333116 35.8075934569 10.3604875653 SOLV 1113 0.0000000000
|
|
3559 1315 TIP3 OH2 42.3923069351 34.9591749066 9.5395970620 SOLV 1114 0.0000000000
|
|
3560 1315 TIP3 H1 42.3067679910 34.0213279571 9.8138206537 SOLV 1114 0.0000000000
|
|
3561 1315 TIP3 H2 43.3098212846 35.1291745113 9.8731489585 SOLV 1114 0.0000000000
|
|
3562 1316 TIP3 OH2 44.7845369582 35.1318381747 10.5701933651 SOLV 1115 0.0000000000
|
|
3563 1316 TIP3 H1 44.9382546081 34.1992014756 10.3387071519 SOLV 1115 0.0000000000
|
|
3564 1316 TIP3 H2 44.9842951199 35.1402970366 11.5176897201 SOLV 1115 0.0000000000
|
|
3565 1317 TIP3 OH2 47.5341489340 20.6463932836 8.9423116460 SOLV 1116 0.0000000000
|
|
3566 1317 TIP3 H1 46.9660945719 20.0357562605 9.4691252979 SOLV 1116 0.0000000000
|
|
3567 1317 TIP3 H2 48.3959287791 20.5074785895 9.3555944930 SOLV 1116 0.0000000000
|
|
3568 1318 TIP3 OH2 40.6530978586 19.4580135298 7.0970405129 SOLV 1117 0.0000000000
|
|
3569 1318 TIP3 H1 39.7294353079 19.2378518537 6.8307666620 SOLV 1117 0.0000000000
|
|
3570 1318 TIP3 H2 41.0802334397 18.5756142731 6.9963820805 SOLV 1117 0.0000000000
|
|
3571 1319 TIP3 OH2 39.4521701964 19.4462989637 3.0453379974 SOLV 1118 0.0000000000
|
|
3572 1319 TIP3 H1 40.2312362090 20.0128916229 2.7914772451 SOLV 1118 0.0000000000
|
|
3573 1319 TIP3 H2 39.0634504180 19.9382343260 3.8037447627 SOLV 1118 0.0000000000
|
|
3574 1320 TIP3 OH2 45.0964245550 19.1105757810 7.2229450535 SOLV 1119 0.0000000000
|
|
3575 1320 TIP3 H1 45.7655492869 19.5343826761 6.6784398492 SOLV 1119 0.0000000000
|
|
3576 1320 TIP3 H2 45.5409542091 19.1248287222 8.0919070332 SOLV 1119 0.0000000000
|
|
3577 1321 TIP3 OH2 39.4729455702 35.5742869829 3.9242646934 SOLV 1120 0.0000000000
|
|
3578 1321 TIP3 H1 38.7056508350 35.4091373161 3.3565125693 SOLV 1120 0.0000000000
|
|
3579 1321 TIP3 H2 39.6039111670 36.5258518096 3.7540280881 SOLV 1120 0.0000000000
|
|
3580 1322 TIP3 OH2 41.5249666183 20.7312852607 2.0155099734 SOLV 1121 0.0000000000
|
|
3581 1322 TIP3 H1 41.5708228801 20.7118212716 1.0545257949 SOLV 1121 0.0000000000
|
|
3582 1322 TIP3 H2 42.2979771357 21.2784192973 2.2367849709 SOLV 1121 0.0000000000
|
|
3583 1323 TIP3 OH2 46.2166673934 21.8791989531 3.6492514366 SOLV 1122 0.0000000000
|
|
3584 1323 TIP3 H1 46.3895640045 21.2620823235 4.3871769139 SOLV 1122 0.0000000000
|
|
3585 1323 TIP3 H2 46.4684043361 22.7046694693 4.1182166749 SOLV 1122 0.0000000000
|
|
3586 1324 TIP3 OH2 48.3390254047 37.2778428372 1.7687501832 SOLV 1123 0.0000000000
|
|
3587 1324 TIP3 H1 49.2312512605 37.3405718073 2.1287332552 SOLV 1123 0.0000000000
|
|
3588 1324 TIP3 H2 48.3005962413 36.3443011753 1.4899381073 SOLV 1123 0.0000000000
|
|
3589 1325 TIP3 OH2 40.6657533645 20.4308131247 16.7267537146 SOLV 1124 0.0000000000
|
|
3590 1325 TIP3 H1 40.1596749191 19.6084065096 16.6205303251 SOLV 1124 0.0000000000
|
|
3591 1325 TIP3 H2 41.4685847261 20.0712349789 17.1493258267 SOLV 1124 0.0000000000
|
|
3592 1326 TIP3 OH2 42.4081950255 19.4935879159 18.6071859089 SOLV 1125 0.0000000000
|
|
3593 1326 TIP3 H1 43.3626167851 19.3788823685 18.4273670863 SOLV 1125 0.0000000000
|
|
3594 1326 TIP3 H2 42.1735567518 18.5599788732 18.7754045771 SOLV 1125 0.0000000000
|
|
3595 1327 TIP3 OH2 40.5578823054 36.2967096348 1.0658547569 SOLV 1126 0.0000000000
|
|
3596 1327 TIP3 H1 40.4242023744 37.1129640260 1.5938689686 SOLV 1126 0.0000000000
|
|
3597 1327 TIP3 H2 41.2843398895 35.8667733596 1.5131345026 SOLV 1126 0.0000000000
|
|
3598 1328 TIP3 OH2 12.0018292812 47.5421340412 6.8753777090 SOLV 1127 0.0000000000
|
|
3599 1328 TIP3 H1 11.6396883391 48.3091922489 7.3387909747 SOLV 1127 0.0000000000
|
|
3600 1328 TIP3 H2 11.4558682020 47.4951344055 6.0650815102 SOLV 1127 0.0000000000
|
|
3601 1329 TIP3 OH2 10.9238104861 46.7665254739 10.5241924706 SOLV 1128 0.0000000000
|
|
3602 1329 TIP3 H1 11.1096475662 46.3060872037 11.3568122624 SOLV 1128 0.0000000000
|
|
3603 1329 TIP3 H2 10.3543187355 46.1242406935 10.0216763350 SOLV 1128 0.0000000000
|
|
3604 1330 TIP3 OH2 3.2043233262 46.1525356273 11.8687552818 SOLV 1129 0.0000000000
|
|
3605 1330 TIP3 H1 3.1643493638 45.4327505638 12.5353206025 SOLV 1129 0.0000000000
|
|
3606 1330 TIP3 H2 4.0888229892 46.4983029446 12.0479730804 SOLV 1129 0.0000000000
|
|
3607 1331 TIP3 OH2 14.3252677187 49.1153250313 8.9233269474 SOLV 1130 0.0000000000
|
|
3608 1331 TIP3 H1 14.2601905862 48.4701126463 9.6455817918 SOLV 1130 0.0000000000
|
|
3609 1331 TIP3 H2 15.0213345911 49.7355514767 9.2326160912 SOLV 1130 0.0000000000
|
|
3610 1332 TIP3 OH2 0.9997097716 44.8316813266 5.9526014908 SOLV 1131 0.0000000000
|
|
3611 1332 TIP3 H1 0.8311423024 45.7984322218 6.0744403374 SOLV 1131 0.0000000000
|
|
3612 1332 TIP3 H2 0.8457312216 44.5281646508 6.8598732421 SOLV 1131 0.0000000000
|
|
3613 1333 TIP3 OH2 2.1973274241 46.9291144824 8.7860311842 SOLV 1132 0.0000000000
|
|
3614 1333 TIP3 H1 2.1493614474 45.9591614985 8.7728300034 SOLV 1132 0.0000000000
|
|
3615 1333 TIP3 H2 2.1175084720 47.1521965136 7.8531291131 SOLV 1132 0.0000000000
|
|
3616 1334 TIP3 OH2 9.4440290874 49.0265900419 11.0647261720 SOLV 1133 0.0000000000
|
|
3617 1334 TIP3 H1 9.8953645640 48.2729037000 10.6228585896 SOLV 1133 0.0000000000
|
|
3618 1334 TIP3 H2 10.1354692028 49.2648757410 11.7311810195 SOLV 1133 0.0000000000
|
|
3619 1335 TIP3 OH2 18.0294401288 40.9954964783 11.7369582604 SOLV 1134 0.0000000000
|
|
3620 1335 TIP3 H1 18.4203454464 41.6274647430 12.3680790400 SOLV 1134 0.0000000000
|
|
3621 1335 TIP3 H2 18.6626923593 41.0587950361 11.0061177273 SOLV 1134 0.0000000000
|
|
3622 1336 TIP3 OH2 12.6139160180 43.7301791090 10.9501951322 SOLV 1135 0.0000000000
|
|
3623 1336 TIP3 H1 12.7284832036 42.7760409831 11.1091808344 SOLV 1135 0.0000000000
|
|
3624 1336 TIP3 H2 12.5408042355 43.7190605251 9.9728584181 SOLV 1135 0.0000000000
|
|
3625 1337 TIP3 OH2 6.0841258698 41.7069599839 8.2864336921 SOLV 1136 0.0000000000
|
|
3626 1337 TIP3 H1 6.0637909595 42.5260566571 7.7401905285 SOLV 1136 0.0000000000
|
|
3627 1337 TIP3 H2 5.5864899520 41.0889301603 7.7186267712 SOLV 1136 0.0000000000
|
|
3628 1338 TIP3 OH2 13.7994273774 41.8633921151 6.5536551851 SOLV 1137 0.0000000000
|
|
3629 1338 TIP3 H1 14.1963231587 41.7284345060 7.4378369944 SOLV 1137 0.0000000000
|
|
3630 1338 TIP3 H2 14.4343372560 42.5028566291 6.1701419724 SOLV 1137 0.0000000000
|
|
3631 1339 TIP3 OH2 2.4235023898 43.9210112480 8.9994371891 SOLV 1138 0.0000000000
|
|
3632 1339 TIP3 H1 3.1566217000 43.6522805154 9.6006489041 SOLV 1138 0.0000000000
|
|
3633 1339 TIP3 H2 2.8049927170 43.7054450493 8.1309124054 SOLV 1138 0.0000000000
|
|
3634 1340 TIP3 OH2 7.2341165203 45.8228407457 8.7725123012 SOLV 1139 0.0000000000
|
|
3635 1340 TIP3 H1 8.1052441925 45.4720872373 9.0402857827 SOLV 1139 0.0000000000
|
|
3636 1340 TIP3 H2 6.9706364755 45.1268836551 8.1324375887 SOLV 1139 0.0000000000
|
|
3637 1341 TIP3 OH2 18.6027241524 42.5799131915 13.9776229353 SOLV 1140 0.0000000000
|
|
3638 1341 TIP3 H1 17.8310229064 43.1310151767 13.6787282159 SOLV 1140 0.0000000000
|
|
3639 1341 TIP3 H2 18.5932012210 42.7771167894 14.9229722562 SOLV 1140 0.0000000000
|
|
3640 1342 TIP3 OH2 4.6954311942 40.8331944670 12.5134283633 SOLV 1141 0.0000000000
|
|
3641 1342 TIP3 H1 4.3642209840 41.3482637259 11.7505303345 SOLV 1141 0.0000000000
|
|
3642 1342 TIP3 H2 4.1005546921 41.1661320870 13.2159060390 SOLV 1141 0.0000000000
|
|
3643 1343 TIP3 OH2 6.9639678653 48.5745574753 12.0493534344 SOLV 1142 0.0000000000
|
|
3644 1343 TIP3 H1 6.4645042000 49.4012488336 11.8750006937 SOLV 1142 0.0000000000
|
|
3645 1343 TIP3 H2 7.8396139528 48.8224635286 11.6993550002 SOLV 1142 0.0000000000
|
|
3646 1344 TIP3 OH2 14.8745287012 41.7173813926 9.2096002015 SOLV 1143 0.0000000000
|
|
3647 1344 TIP3 H1 14.1305498719 41.3056342714 9.6739429830 SOLV 1143 0.0000000000
|
|
3648 1344 TIP3 H2 15.3270469027 42.2220623372 9.9241410527 SOLV 1143 0.0000000000
|
|
3649 1345 TIP3 OH2 4.3886065165 42.6230648217 10.4398333222 SOLV 1144 0.0000000000
|
|
3650 1345 TIP3 H1 4.9670975294 43.2271790462 10.9619672565 SOLV 1144 0.0000000000
|
|
3651 1345 TIP3 H2 5.0176141326 42.2875518033 9.7612318456 SOLV 1144 0.0000000000
|
|
3652 1346 TIP3 OH2 15.4025025124 40.3425979841 12.4659229232 SOLV 1145 0.0000000000
|
|
3653 1346 TIP3 H1 14.8100325040 40.8495067305 11.8930344430 SOLV 1145 0.0000000000
|
|
3654 1346 TIP3 H2 16.2906277421 40.5626720577 12.0960113366 SOLV 1145 0.0000000000
|
|
3655 1347 TIP3 OH2 8.1428439581 37.6818445875 9.9856285053 SOLV 1146 0.0000000000
|
|
3656 1347 TIP3 H1 7.8207465487 36.7571417717 10.0159880432 SOLV 1146 0.0000000000
|
|
3657 1347 TIP3 H2 7.3159021630 38.1743265692 10.1894798996 SOLV 1146 0.0000000000
|
|
3658 1348 TIP3 OH2 10.8790742401 46.9367844853 4.5124932501 SOLV 1147 0.0000000000
|
|
3659 1348 TIP3 H1 10.2647112701 47.6387363810 4.1699578797 SOLV 1147 0.0000000000
|
|
3660 1348 TIP3 H2 11.5070987373 46.8136432039 3.7693020070 SOLV 1147 0.0000000000
|
|
3661 1349 TIP3 OH2 11.0244216766 45.5169698777 1.0309422088 SOLV 1148 0.0000000000
|
|
3662 1349 TIP3 H1 11.7106003723 45.9182244057 1.6004269968 SOLV 1148 0.0000000000
|
|
3663 1349 TIP3 H2 11.5588716178 44.8086821233 0.6315127562 SOLV 1148 0.0000000000
|
|
3664 1350 TIP3 OH2 17.9978909244 46.4950658011 12.8126734242 SOLV 1149 0.0000000000
|
|
3665 1350 TIP3 H1 17.3371616638 47.2024905519 12.9772380077 SOLV 1149 0.0000000000
|
|
3666 1350 TIP3 H2 18.4566865593 46.8481361972 12.0188305844 SOLV 1149 0.0000000000
|
|
3667 1351 TIP3 OH2 14.1531556301 46.4040023262 5.5291482568 SOLV 1150 0.0000000000
|
|
3668 1351 TIP3 H1 13.3848627412 46.7352324428 6.0618363007 SOLV 1150 0.0000000000
|
|
3669 1351 TIP3 H2 14.8282924442 46.3208544082 6.2478177208 SOLV 1150 0.0000000000
|
|
3670 1352 TIP3 OH2 14.0458645620 45.1776079382 14.8827303293 SOLV 1151 0.0000000000
|
|
3671 1352 TIP3 H1 14.1005953413 45.9311284467 15.5064067252 SOLV 1151 0.0000000000
|
|
3672 1352 TIP3 H2 13.3338520504 45.4798755648 14.2877019409 SOLV 1151 0.0000000000
|
|
3673 1353 TIP3 OH2 5.7921130382 47.6608580981 7.5291828719 SOLV 1152 0.0000000000
|
|
3674 1353 TIP3 H1 5.4689026141 47.2041654631 6.7183764097 SOLV 1152 0.0000000000
|
|
3675 1353 TIP3 H2 6.4077566647 46.9843855060 7.9123729996 SOLV 1152 0.0000000000
|
|
3676 1354 TIP3 OH2 5.9754273040 46.2854425302 11.1208873882 SOLV 1153 0.0000000000
|
|
3677 1354 TIP3 H1 6.3074191189 46.2718025056 10.1829414659 SOLV 1153 0.0000000000
|
|
3678 1354 TIP3 H2 6.4578332868 47.0954247939 11.4365577941 SOLV 1153 0.0000000000
|
|
3679 1355 TIP3 OH2 12.8905352208 46.3861179725 2.9772656185 SOLV 1154 0.0000000000
|
|
3680 1355 TIP3 H1 13.4033344105 46.5811679984 3.7903195190 SOLV 1154 0.0000000000
|
|
3681 1355 TIP3 H2 13.5056880795 46.7856546562 2.3014112955 SOLV 1154 0.0000000000
|
|
3682 1356 TIP3 OH2 3.9936401355 46.5694204459 15.1802350422 SOLV 1155 0.0000000000
|
|
3683 1356 TIP3 H1 4.1301074585 47.4133561456 15.6666710735 SOLV 1155 0.0000000000
|
|
3684 1356 TIP3 H2 3.0614591484 46.7012152041 14.9403205391 SOLV 1155 0.0000000000
|
|
3685 1357 TIP3 OH2 16.8879600750 38.0871814835 3.1944313454 SOLV 1156 0.0000000000
|
|
3686 1357 TIP3 H1 15.9353097835 38.2510349160 3.3032025554 SOLV 1156 0.0000000000
|
|
3687 1357 TIP3 H2 17.1846000980 38.9486433066 2.8256045624 SOLV 1156 0.0000000000
|
|
3688 1358 TIP3 OH2 4.5286316786 46.7469459826 5.3006347956 SOLV 1157 0.0000000000
|
|
3689 1358 TIP3 H1 4.2283284619 47.3946641574 4.6500186477 SOLV 1157 0.0000000000
|
|
3690 1358 TIP3 H2 4.6161049980 45.9570808017 4.7494953931 SOLV 1157 0.0000000000
|
|
3691 1359 TIP3 OH2 1.6576977994 49.2215123856 14.6958590789 SOLV 1158 0.0000000000
|
|
3692 1359 TIP3 H1 1.9779483749 49.2081334659 13.7901306856 SOLV 1158 0.0000000000
|
|
3693 1359 TIP3 H2 1.4780156559 48.2689118681 14.8500673142 SOLV 1158 0.0000000000
|
|
3694 1360 TIP3 OH2 15.7869080975 43.7613756031 16.8565015813 SOLV 1159 0.0000000000
|
|
3695 1360 TIP3 H1 15.2024391652 44.1612054956 16.1814405792 SOLV 1159 0.0000000000
|
|
3696 1360 TIP3 H2 15.8274187327 42.8195026833 16.5581538173 SOLV 1159 0.0000000000
|
|
3697 1361 TIP3 OH2 5.8385086336 39.1521654621 10.7548833689 SOLV 1160 0.0000000000
|
|
3698 1361 TIP3 H1 4.9761887112 39.0838520197 10.2822839028 SOLV 1160 0.0000000000
|
|
3699 1361 TIP3 H2 5.5867724896 39.7254144096 11.5085384168 SOLV 1160 0.0000000000
|
|
3700 1362 TIP3 OH2 10.5657538188 38.6120671439 14.1603619882 SOLV 1161 0.0000000000
|
|
3701 1362 TIP3 H1 11.0091808993 38.0908192603 14.8558304442 SOLV 1161 0.0000000000
|
|
3702 1362 TIP3 H2 9.6080576754 38.5418383605 14.3775551028 SOLV 1161 0.0000000000
|
|
3703 1363 TIP3 OH2 13.2955024787 42.6245753331 15.0461921236 SOLV 1162 0.0000000000
|
|
3704 1363 TIP3 H1 12.6253871635 42.5349658589 15.7763056857 SOLV 1162 0.0000000000
|
|
3705 1363 TIP3 H2 13.5105381595 43.5792642929 15.0560093389 SOLV 1162 0.0000000000
|
|
3706 1364 TIP3 OH2 14.5079343057 47.1588258747 1.0736622740 SOLV 1163 0.0000000000
|
|
3707 1364 TIP3 H1 14.2127692033 47.2237291129 0.1471016414 SOLV 1163 0.0000000000
|
|
3708 1364 TIP3 H2 15.4544964566 47.3524325092 0.9380646361 SOLV 1163 0.0000000000
|
|
3709 1365 TIP3 OH2 9.9427507990 41.4034387220 1.3355466404 SOLV 1164 0.0000000000
|
|
3710 1365 TIP3 H1 9.3795400467 41.1051747369 2.0767497548 SOLV 1164 0.0000000000
|
|
3711 1365 TIP3 H2 10.2327366087 40.5518133348 0.9587243011 SOLV 1164 0.0000000000
|
|
3712 1366 TIP3 OH2 5.9738325173 43.9288984020 12.3079324473 SOLV 1165 0.0000000000
|
|
3713 1366 TIP3 H1 5.1560372473 43.9771286026 12.8383393762 SOLV 1165 0.0000000000
|
|
3714 1366 TIP3 H2 5.8981777155 44.7707237010 11.7932996348 SOLV 1165 0.0000000000
|
|
3715 1367 TIP3 OH2 6.0752450766 44.0972277856 7.0196607011 SOLV 1166 0.0000000000
|
|
3716 1367 TIP3 H1 5.1199250496 44.2657120087 6.8632612248 SOLV 1166 0.0000000000
|
|
3717 1367 TIP3 H2 6.3444346190 43.7824641319 6.1273815343 SOLV 1166 0.0000000000
|
|
3718 1368 TIP3 OH2 11.4854076431 44.4456265740 5.7158624634 SOLV 1167 0.0000000000
|
|
3719 1368 TIP3 H1 11.2096483847 45.3351223196 5.3856022163 SOLV 1167 0.0000000000
|
|
3720 1368 TIP3 H2 12.1097877925 44.1785668082 5.0087439375 SOLV 1167 0.0000000000
|
|
3721 1369 TIP3 OH2 10.6489335946 44.4696849274 16.7873189290 SOLV 1168 0.0000000000
|
|
3722 1369 TIP3 H1 10.0427368364 43.8243459857 17.1950350480 SOLV 1168 0.0000000000
|
|
3723 1369 TIP3 H2 11.4250792175 44.4205657060 17.3781726561 SOLV 1168 0.0000000000
|
|
3724 1370 TIP3 OH2 12.4588053892 43.6076543952 8.2671663398 SOLV 1169 0.0000000000
|
|
3725 1370 TIP3 H1 11.9617465931 44.2456093770 7.7370519950 SOLV 1169 0.0000000000
|
|
3726 1370 TIP3 H2 12.7824400755 43.0282371817 7.5597743993 SOLV 1169 0.0000000000
|
|
3727 1371 TIP3 OH2 3.5576522689 44.1120510116 13.6191231144 SOLV 1170 0.0000000000
|
|
3728 1371 TIP3 H1 3.6895875536 44.7072574802 14.3823083181 SOLV 1170 0.0000000000
|
|
3729 1371 TIP3 H2 3.1651928963 43.3110505961 14.0344546272 SOLV 1170 0.0000000000
|
|
3730 1372 TIP3 OH2 6.2101418680 41.4655598644 0.2050012128 SOLV 1171 0.0000000000
|
|
3731 1372 TIP3 H1 6.1447782929 41.3443381006 1.1748955350 SOLV 1171 0.0000000000
|
|
3732 1372 TIP3 H2 5.8953816710 42.3866794834 0.1020436240 SOLV 1171 0.0000000000
|
|
3733 1373 TIP3 OH2 0.9282528647 41.3224872362 7.3477815037 SOLV 1172 0.0000000000
|
|
3734 1373 TIP3 H1 1.0400034830 41.7951365424 8.1857596748 SOLV 1172 0.0000000000
|
|
3735 1373 TIP3 H2 1.3317571915 40.4752546480 7.5538508227 SOLV 1172 0.0000000000
|
|
3736 1374 TIP3 OH2 1.7134100870 42.3382748326 3.2576183032 SOLV 1173 0.0000000000
|
|
3737 1374 TIP3 H1 1.9575210594 41.6058752071 2.6606982932 SOLV 1173 0.0000000000
|
|
3738 1374 TIP3 H2 2.0221735834 43.1019100317 2.7265202299 SOLV 1173 0.0000000000
|
|
3739 1375 TIP3 OH2 11.7888110955 45.4618624557 12.7983050781 SOLV 1174 0.0000000000
|
|
3740 1375 TIP3 H1 12.2436775941 44.7840119203 12.2500192859 SOLV 1174 0.0000000000
|
|
3741 1375 TIP3 H2 11.1755856082 44.9148328026 13.3404555572 SOLV 1174 0.0000000000
|
|
3742 1376 TIP3 OH2 9.0252861976 41.4964102273 7.9002858275 SOLV 1175 0.0000000000
|
|
3743 1376 TIP3 H1 8.1114303931 41.5514563803 8.2469659646 SOLV 1175 0.0000000000
|
|
3744 1376 TIP3 H2 9.4629981522 40.9926732437 8.6048627626 SOLV 1175 0.0000000000
|
|
3745 1377 TIP3 OH2 3.5021593183 43.4277766636 6.5347742356 SOLV 1176 0.0000000000
|
|
3746 1377 TIP3 H1 2.8062660615 43.6232001053 5.8881633179 SOLV 1176 0.0000000000
|
|
3747 1377 TIP3 H2 3.6164826412 42.4570115488 6.4349793867 SOLV 1176 0.0000000000
|
|
3748 1378 TIP3 OH2 6.6086307445 43.2700837655 4.5066693952 SOLV 1177 0.0000000000
|
|
3749 1378 TIP3 H1 7.5911501147 43.2768619462 4.6141365518 SOLV 1177 0.0000000000
|
|
3750 1378 TIP3 H2 6.4300315516 44.0637450313 3.9638036467 SOLV 1177 0.0000000000
|
|
3751 1379 TIP3 OH2 12.7641085781 41.0576586735 11.0048363445 SOLV 1178 0.0000000000
|
|
3752 1379 TIP3 H1 12.3578890241 40.9688051649 11.8970258842 SOLV 1178 0.0000000000
|
|
3753 1379 TIP3 H2 12.1129798938 40.5574034099 10.4782556037 SOLV 1178 0.0000000000
|
|
3754 1380 TIP3 OH2 5.5620379309 45.0543225444 2.6077278888 SOLV 1179 0.0000000000
|
|
3755 1380 TIP3 H1 5.0494209303 44.4087726281 2.1019581866 SOLV 1179 0.0000000000
|
|
3756 1380 TIP3 H2 6.4108674629 45.0426469470 2.1187509837 SOLV 1179 0.0000000000
|
|
3757 1381 TIP3 OH2 4.0401560081 48.6283323820 17.0597345101 SOLV 1180 0.0000000000
|
|
3758 1381 TIP3 H1 4.6498090918 49.2835249435 17.4484037440 SOLV 1180 0.0000000000
|
|
3759 1381 TIP3 H2 3.2457374508 48.7831634288 17.6020767546 SOLV 1180 0.0000000000
|
|
3760 1382 TIP3 OH2 9.4861336026 44.5721792094 9.6648566483 SOLV 1181 0.0000000000
|
|
3761 1382 TIP3 H1 10.2088641784 43.9487326474 9.5124866011 SOLV 1181 0.0000000000
|
|
3762 1382 TIP3 H2 9.0503962318 44.1411876723 10.4277373227 SOLV 1181 0.0000000000
|
|
3763 1383 TIP3 OH2 4.2799718774 40.6746777090 6.5039571173 SOLV 1182 0.0000000000
|
|
3764 1383 TIP3 H1 3.8237108894 39.8458259255 6.7732684299 SOLV 1182 0.0000000000
|
|
3765 1383 TIP3 H2 4.7656559472 40.3790157014 5.7278541055 SOLV 1182 0.0000000000
|
|
3766 1384 TIP3 OH2 8.5137635169 43.2161186565 11.9914078763 SOLV 1183 0.0000000000
|
|
3767 1384 TIP3 H1 7.6663814930 43.6186547537 12.2768352510 SOLV 1183 0.0000000000
|
|
3768 1384 TIP3 H2 9.1170804981 43.4384189025 12.7349731933 SOLV 1183 0.0000000000
|
|
3769 1385 TIP3 OH2 9.0384664519 48.7246682966 3.8404723872 SOLV 1184 0.0000000000
|
|
3770 1385 TIP3 H1 8.2896758610 48.5764807929 3.2324732665 SOLV 1184 0.0000000000
|
|
3771 1385 TIP3 H2 8.5427336082 48.8201669419 4.6922112830 SOLV 1184 0.0000000000
|
|
3772 1386 TIP3 OH2 15.9210367997 48.4176416619 12.7072686990 SOLV 1185 0.0000000000
|
|
3773 1386 TIP3 H1 16.5240436525 48.8012758678 12.0487539372 SOLV 1185 0.0000000000
|
|
3774 1386 TIP3 H2 15.1554213289 48.1385315253 12.1494739557 SOLV 1185 0.0000000000
|
|
3775 1387 TIP3 OH2 12.4869037476 41.6319319757 2.2265703567 SOLV 1186 0.0000000000
|
|
3776 1387 TIP3 H1 11.5332083205 41.7958874175 2.0562300392 SOLV 1186 0.0000000000
|
|
3777 1387 TIP3 H2 12.7677100169 42.4871864433 2.6169574942 SOLV 1186 0.0000000000
|
|
3778 1388 TIP3 OH2 10.8472373072 49.2055620285 15.8271482761 SOLV 1187 0.0000000000
|
|
3779 1388 TIP3 H1 10.9289294879 48.4923466649 16.4860636638 SOLV 1187 0.0000000000
|
|
3780 1388 TIP3 H2 10.1859314227 49.7832617303 16.2491865993 SOLV 1187 0.0000000000
|
|
3781 1389 TIP3 OH2 13.2781415320 43.8760942492 3.6857081901 SOLV 1188 0.0000000000
|
|
3782 1389 TIP3 H1 14.0798223556 43.9635316084 4.2318267737 SOLV 1188 0.0000000000
|
|
3783 1389 TIP3 H2 13.2067398377 44.7753133311 3.2794729465 SOLV 1188 0.0000000000
|
|
3784 1390 TIP3 OH2 4.3488703413 48.5155004496 9.6015473052 SOLV 1189 0.0000000000
|
|
3785 1390 TIP3 H1 4.7863671031 48.2566123387 8.7595903043 SOLV 1189 0.0000000000
|
|
3786 1390 TIP3 H2 3.9791356338 47.6715821947 9.8779372344 SOLV 1189 0.0000000000
|
|
3787 1391 TIP3 OH2 1.2883896789 46.5761436601 14.8409831189 SOLV 1190 0.0000000000
|
|
3788 1391 TIP3 H1 1.1393125335 46.1686517102 15.7195776937 SOLV 1190 0.0000000000
|
|
3789 1391 TIP3 H2 0.4757373291 46.3000659932 14.3384444013 SOLV 1190 0.0000000000
|
|
3790 1392 TIP3 OH2 8.2369629969 45.9129745316 17.2722967367 SOLV 1191 0.0000000000
|
|
3791 1392 TIP3 H1 7.6397086128 45.6466036698 16.5369468428 SOLV 1191 0.0000000000
|
|
3792 1392 TIP3 H2 9.0586360347 45.5060945252 16.9497673942 SOLV 1191 0.0000000000
|
|
3793 1393 TIP3 OH2 18.1702007270 44.2092670886 3.7468909910 SOLV 1192 0.0000000000
|
|
3794 1393 TIP3 H1 17.5594961027 44.0029058833 2.9927691211 SOLV 1192 0.0000000000
|
|
3795 1393 TIP3 H2 18.4192962384 45.1163193986 3.4333772775 SOLV 1192 0.0000000000
|
|
3796 1394 TIP3 OH2 18.4224165539 49.4283261626 15.9880172515 SOLV 1193 0.0000000000
|
|
3797 1394 TIP3 H1 17.7108149776 50.0572914534 15.7737435110 SOLV 1193 0.0000000000
|
|
3798 1394 TIP3 H2 18.8651515267 49.4110031060 15.1061390273 SOLV 1193 0.0000000000
|
|
3799 1395 TIP3 OH2 13.9564463786 47.3560068810 11.0111623921 SOLV 1194 0.0000000000
|
|
3800 1395 TIP3 H1 12.9903324994 47.3876946002 10.9229853248 SOLV 1194 0.0000000000
|
|
3801 1395 TIP3 H2 14.1782713034 46.6050080214 10.4414778706 SOLV 1194 0.0000000000
|
|
3802 1396 TIP3 OH2 2.0172394071 46.8113993790 1.6048747650 SOLV 1195 0.0000000000
|
|
3803 1396 TIP3 H1 2.5093070523 47.2238341433 2.3432279210 SOLV 1195 0.0000000000
|
|
3804 1396 TIP3 H2 1.2404891703 47.3830009334 1.5291136764 SOLV 1195 0.0000000000
|
|
3805 1397 TIP3 OH2 7.5444060369 48.9837822420 6.0860038258 SOLV 1196 0.0000000000
|
|
3806 1397 TIP3 H1 7.4491308948 49.9108801861 6.3861659267 SOLV 1196 0.0000000000
|
|
3807 1397 TIP3 H2 6.9606586021 48.5062194621 6.7173884205 SOLV 1196 0.0000000000
|
|
3808 1398 TIP3 OH2 11.2984367458 49.1574318837 13.0917570215 SOLV 1197 0.0000000000
|
|
3809 1398 TIP3 H1 11.3591566184 48.9444407600 14.0484361995 SOLV 1197 0.0000000000
|
|
3810 1398 TIP3 H2 12.0814922649 48.7190757397 12.7283660658 SOLV 1197 0.0000000000
|
|
3811 1399 TIP3 OH2 2.8579705474 41.5790250409 14.5139624958 SOLV 1198 0.0000000000
|
|
3812 1399 TIP3 H1 2.0010485180 41.3282076985 14.1364737372 SOLV 1198 0.0000000000
|
|
3813 1399 TIP3 H2 2.9542170698 40.9253226385 15.2222975243 SOLV 1198 0.0000000000
|
|
3814 1400 TIP3 OH2 14.7933490233 48.9106275986 4.2378689913 SOLV 1199 0.0000000000
|
|
3815 1400 TIP3 H1 14.6224615629 48.0350755438 4.6300416768 SOLV 1199 0.0000000000
|
|
3816 1400 TIP3 H2 15.7249816375 48.8210463993 3.9625316132 SOLV 1199 0.0000000000
|
|
3817 1401 TIP3 OH2 3.7020388979 48.3686174064 3.1576450439 SOLV 1200 0.0000000000
|
|
3818 1401 TIP3 H1 3.0211338448 49.0828241985 3.0746779294 SOLV 1200 0.0000000000
|
|
3819 1401 TIP3 H2 4.4391536528 48.7568506623 2.6543079484 SOLV 1200 0.0000000000
|
|
3820 1402 TIP3 OH2 11.5886151563 41.0050308778 13.6028051799 SOLV 1201 0.0000000000
|
|
3821 1402 TIP3 H1 12.3166751305 41.2853509484 14.1977799946 SOLV 1201 0.0000000000
|
|
3822 1402 TIP3 H2 11.2211426934 40.2148609548 14.0466646683 SOLV 1201 0.0000000000
|
|
3823 1403 TIP3 OH2 12.2431436027 40.4799367117 4.7332781826 SOLV 1202 0.0000000000
|
|
3824 1403 TIP3 H1 12.5220459279 40.8640082497 3.8793109767 SOLV 1202 0.0000000000
|
|
3825 1403 TIP3 H2 12.7777704436 41.0261134538 5.3635081728 SOLV 1202 0.0000000000
|
|
3826 1404 TIP3 OH2 9.2107447915 42.8327877650 5.4418897553 SOLV 1203 0.0000000000
|
|
3827 1404 TIP3 H1 10.0023784106 43.4011113530 5.5329375045 SOLV 1203 0.0000000000
|
|
3828 1404 TIP3 H2 9.1211708020 42.4572840396 6.3476273625 SOLV 1203 0.0000000000
|
|
3829 1405 TIP3 OH2 10.3645151954 43.6067691818 14.1720930807 SOLV 1204 0.0000000000
|
|
3830 1405 TIP3 H1 10.5856796980 43.8602640341 15.0957569168 SOLV 1204 0.0000000000
|
|
3831 1405 TIP3 H2 10.7268911635 42.7037813706 14.1126196139 SOLV 1204 0.0000000000
|
|
3832 1406 TIP3 OH2 10.0240170511 39.4544485846 6.1060220550 SOLV 1205 0.0000000000
|
|
3833 1406 TIP3 H1 9.7103165585 40.2351711950 6.5971828826 SOLV 1205 0.0000000000
|
|
3834 1406 TIP3 H2 10.8759087872 39.7759708450 5.7438483397 SOLV 1205 0.0000000000
|
|
3835 1407 TIP3 OH2 6.1378728276 40.9518441105 2.8714257704 SOLV 1206 0.0000000000
|
|
3836 1407 TIP3 H1 5.8913678509 41.5969856149 3.5618004026 SOLV 1206 0.0000000000
|
|
3837 1407 TIP3 H2 7.0333728714 40.7010664238 3.1750829181 SOLV 1206 0.0000000000
|
|
3838 1408 TIP3 OH2 15.8010253918 41.4597847225 15.2261102514 SOLV 1207 0.0000000000
|
|
3839 1408 TIP3 H1 14.8592693327 41.7266921578 15.2101239605 SOLV 1207 0.0000000000
|
|
3840 1408 TIP3 H2 15.8818490200 40.9582633232 14.3944160958 SOLV 1207 0.0000000000
|
|
3841 1409 TIP3 OH2 14.5200527518 45.2510568293 9.3914387787 SOLV 1208 0.0000000000
|
|
3842 1409 TIP3 H1 13.7992606061 44.6709586790 9.0950547366 SOLV 1208 0.0000000000
|
|
3843 1409 TIP3 H2 15.0239910981 44.6292055025 9.9603379455 SOLV 1208 0.0000000000
|
|
3844 1410 TIP3 OH2 2.4432538663 43.9933643328 1.2527122999 SOLV 1209 0.0000000000
|
|
3845 1410 TIP3 H1 2.4823213051 44.9558695709 1.4188345058 SOLV 1209 0.0000000000
|
|
3846 1410 TIP3 H2 1.6986565083 43.9474579742 0.6104009129 SOLV 1209 0.0000000000
|
|
3847 1411 TIP3 OH2 3.3701939563 38.7474848989 9.9094595792 SOLV 1210 0.0000000000
|
|
3848 1411 TIP3 H1 3.3192736244 38.6010293294 8.9375965353 SOLV 1210 0.0000000000
|
|
3849 1411 TIP3 H2 3.0496017768 37.8515915679 10.1875660147 SOLV 1210 0.0000000000
|
|
3850 1412 TIP3 OH2 1.4649331254 48.8791632793 18.0113680076 SOLV 1211 0.0000000000
|
|
3851 1412 TIP3 H1 1.2575654095 47.9912403402 17.6601157304 SOLV 1211 0.0000000000
|
|
3852 1412 TIP3 H2 1.1554806519 49.4086928389 17.2527336166 SOLV 1211 0.0000000000
|
|
3853 1413 TIP3 OH2 5.9088417657 48.5208789269 -0.2561253773 SOLV 1212 0.0000000000
|
|
3854 1413 TIP3 H1 6.2666853542 48.4762103688 0.6440699327 SOLV 1212 0.0000000000
|
|
3855 1413 TIP3 H2 5.9910067207 49.4875565883 -0.4520392823 SOLV 1212 0.0000000000
|
|
3856 1414 TIP3 OH2 7.3535172403 48.5028070685 17.5737472519 SOLV 1213 0.0000000000
|
|
3857 1414 TIP3 H1 6.7349539146 47.7671424716 17.4278916204 SOLV 1213 0.0000000000
|
|
3858 1414 TIP3 H2 8.1715507572 47.9784290209 17.6304708111 SOLV 1213 0.0000000000
|
|
3859 1415 TIP3 OH2 13.6643432937 49.1372648371 15.2999044856 SOLV 1214 0.0000000000
|
|
3860 1415 TIP3 H1 14.2732711282 49.8652644089 15.0980533083 SOLV 1214 0.0000000000
|
|
3861 1415 TIP3 H2 12.7972443780 49.5676593366 15.2704738823 SOLV 1214 0.0000000000
|
|
3862 1416 TIP3 OH2 1.8969849062 46.1365530564 17.4782394305 SOLV 1215 0.0000000000
|
|
3863 1416 TIP3 H1 2.6907617592 45.6330710026 17.2640702831 SOLV 1215 0.0000000000
|
|
3864 1416 TIP3 H2 2.1355379443 46.5028067605 18.3471520182 SOLV 1215 0.0000000000
|
|
3865 1417 TIP3 OH2 6.8342478913 47.6813187585 2.5498865630 SOLV 1216 0.0000000000
|
|
3866 1417 TIP3 H1 6.2620632740 47.2596236486 3.2096681448 SOLV 1216 0.0000000000
|
|
3867 1417 TIP3 H2 7.3787318184 46.9237177937 2.2613737074 SOLV 1216 0.0000000000
|
|
3868 1418 TIP3 OH2 6.4876275344 45.4293918593 15.2486165762 SOLV 1217 0.0000000000
|
|
3869 1418 TIP3 H1 5.6040888197 45.8549257090 15.2463708272 SOLV 1217 0.0000000000
|
|
3870 1418 TIP3 H2 6.9477408911 45.8292112263 14.4772730227 SOLV 1217 0.0000000000
|
|
3871 1419 TIP3 OH2 8.1692101974 45.6736326253 1.2145350501 SOLV 1218 0.0000000000
|
|
3872 1419 TIP3 H1 7.9220882724 45.9004463355 0.2927008947 SOLV 1218 0.0000000000
|
|
3873 1419 TIP3 H2 9.1211511258 45.4209601906 1.1279769627 SOLV 1218 0.0000000000
|
|
3874 1420 TIP3 OH2 11.1935947241 47.5680961854 17.9569898086 SOLV 1219 0.0000000000
|
|
3875 1420 TIP3 H1 11.8895684735 47.7851405583 18.5966657509 SOLV 1219 0.0000000000
|
|
3876 1420 TIP3 H2 10.6352303405 46.9708271493 18.4795736424 SOLV 1219 0.0000000000
|
|
3877 1421 TIP3 OH2 17.1960707989 47.6099204359 0.2465170843 SOLV 1220 0.0000000000
|
|
3878 1421 TIP3 H1 17.9767779126 47.4783997423 -0.3143830379 SOLV 1220 0.0000000000
|
|
3879 1421 TIP3 H2 17.1943127842 48.5901796597 0.3187759928 SOLV 1220 0.0000000000
|
|
3880 1422 TIP3 OH2 6.6067978116 42.7956000793 15.8519935188 SOLV 1221 0.0000000000
|
|
3881 1422 TIP3 H1 6.7620569992 42.2081306615 15.0858153832 SOLV 1221 0.0000000000
|
|
3882 1422 TIP3 H2 6.6052225550 43.7076802890 15.4512023538 SOLV 1221 0.0000000000
|
|
3883 1423 TIP3 OH2 7.3392899062 41.0266992026 13.6332670515 SOLV 1222 0.0000000000
|
|
3884 1423 TIP3 H1 7.9311261687 41.4942371264 13.0289819446 SOLV 1222 0.0000000000
|
|
3885 1423 TIP3 H2 6.4912624919 41.0987327159 13.1588688295 SOLV 1222 0.0000000000
|
|
3886 1424 TIP3 OH2 8.3475860833 46.7628077484 13.7204208370 SOLV 1223 0.0000000000
|
|
3887 1424 TIP3 H1 9.1931823462 47.1438169297 13.4709578856 SOLV 1223 0.0000000000
|
|
3888 1424 TIP3 H2 7.7330645811 47.4407177791 13.3818495867 SOLV 1223 0.0000000000
|
|
3889 1425 TIP3 OH2 12.6677445546 44.2112079869 18.5872441637 SOLV 1224 0.0000000000
|
|
3890 1425 TIP3 H1 12.9112513946 43.2779011316 18.7414055776 SOLV 1224 0.0000000000
|
|
3891 1425 TIP3 H2 13.4440455529 44.5893277017 18.1528730767 SOLV 1224 0.0000000000
|
|
3892 1426 TIP3 OH2 14.4037048217 47.0209853730 16.9990305625 SOLV 1225 0.0000000000
|
|
3893 1426 TIP3 H1 14.1082711985 47.7925104497 16.4458363579 SOLV 1225 0.0000000000
|
|
3894 1426 TIP3 H2 15.3704406082 47.0955666538 16.9551139520 SOLV 1225 0.0000000000
|
|
3895 1427 TIP3 OH2 5.1055336959 43.4691718894 18.2596020873 SOLV 1226 0.0000000000
|
|
3896 1427 TIP3 H1 4.3450427515 42.8704535840 18.1118281596 SOLV 1226 0.0000000000
|
|
3897 1427 TIP3 H2 5.5815980971 43.3774864652 17.4135873678 SOLV 1226 0.0000000000
|
|
3898 1428 TIP3 OH2 7.8092437093 38.3748163683 14.2055067688 SOLV 1227 0.0000000000
|
|
3899 1428 TIP3 H1 7.6183276784 39.3227484542 14.0301595994 SOLV 1227 0.0000000000
|
|
3900 1428 TIP3 H2 7.0631647976 37.9645961857 13.7327824635 SOLV 1227 0.0000000000
|
|
3901 1429 TIP3 OH2 9.0483820823 42.4865052410 17.7993716866 SOLV 1228 0.0000000000
|
|
3902 1429 TIP3 H1 8.5633036144 42.1146222449 18.5650208171 SOLV 1228 0.0000000000
|
|
3903 1429 TIP3 H2 8.3470647301 42.4578659422 17.1270818901 SOLV 1228 0.0000000000
|
|
3904 1430 TIP3 OH2 11.6458459721 41.6915001092 16.8824501594 SOLV 1229 0.0000000000
|
|
3905 1430 TIP3 H1 10.7490582387 41.8947249738 17.2008532210 SOLV 1229 0.0000000000
|
|
3906 1430 TIP3 H2 12.0387337402 41.1963323844 17.6298309387 SOLV 1229 0.0000000000
|
|
3907 1431 TIP3 OH2 13.3931862039 40.7678554218 18.8544407096 SOLV 1230 0.0000000000
|
|
3908 1431 TIP3 H1 13.4406148281 39.7886726388 18.7053790877 SOLV 1230 0.0000000000
|
|
3909 1431 TIP3 H2 13.2534512626 40.8160787127 19.8124439218 SOLV 1230 0.0000000000
|
|
3910 1432 TIP3 OH2 3.1277899942 41.5373319436 18.0933829271 SOLV 1231 0.0000000000
|
|
3911 1432 TIP3 H1 2.9325563715 40.7410453411 17.5703141356 SOLV 1231 0.0000000000
|
|
3912 1432 TIP3 H2 3.2236021065 41.1449177632 18.9946327756 SOLV 1231 0.0000000000
|
|
3913 1433 TIP3 OH2 7.6866080247 37.8045895009 16.9952177276 SOLV 1232 0.0000000000
|
|
3914 1433 TIP3 H1 8.3343334549 37.0632014930 17.0227596773 SOLV 1232 0.0000000000
|
|
3915 1433 TIP3 H2 7.7173412725 37.9453589758 16.0275192620 SOLV 1232 0.0000000000
|
|
3916 1434 TIP3 OH2 8.2661516892 39.2031539766 19.2435098213 SOLV 1233 0.0000000000
|
|
3917 1434 TIP3 H1 8.0712351831 38.6966069001 18.4195063276 SOLV 1233 0.0000000000
|
|
3918 1434 TIP3 H2 7.7299908315 40.0064027368 19.0652983462 SOLV 1233 0.0000000000
|
|
3919 1435 TIP3 OH2 17.7285323792 48.5849414410 4.3788263803 SOLV 1234 0.0000000000
|
|
3920 1435 TIP3 H1 18.2774400275 49.3591473228 4.5356138474 SOLV 1234 0.0000000000
|
|
3921 1435 TIP3 H2 17.8695999059 48.0475751098 5.1825952175 SOLV 1234 0.0000000000
|
|
3922 1436 TIP3 OH2 18.3784560574 46.9075921514 6.5361396771 SOLV 1235 0.0000000000
|
|
3923 1436 TIP3 H1 17.5967007843 46.4536430825 6.9382172968 SOLV 1235 0.0000000000
|
|
3924 1436 TIP3 H2 19.0091993309 46.9460745205 7.2905884815 SOLV 1235 0.0000000000
|
|
3925 1437 TIP3 OH2 18.0265693212 49.6509401371 11.4851939169 SOLV 1236 0.0000000000
|
|
3926 1437 TIP3 H1 18.5012150533 49.0494509934 10.8588058168 SOLV 1236 0.0000000000
|
|
3927 1437 TIP3 H2 17.7794674184 50.3911639090 10.9134561554 SOLV 1236 0.0000000000
|
|
3928 1438 TIP3 OH2 18.4900031422 46.7154376204 2.5725353953 SOLV 1237 0.0000000000
|
|
3929 1438 TIP3 H1 17.8254562523 46.8453301054 1.8605079659 SOLV 1237 0.0000000000
|
|
3930 1438 TIP3 H2 18.2358459851 47.4471625484 3.1832827375 SOLV 1237 0.0000000000
|
|
3931 1439 TIP3 OH2 16.8047365329 44.1131829391 1.4650884069 SOLV 1238 0.0000000000
|
|
3932 1439 TIP3 H1 16.3333817778 44.7423344282 0.9083095494 SOLV 1238 0.0000000000
|
|
3933 1439 TIP3 H2 16.4909005193 43.2627351670 1.1020514840 SOLV 1238 0.0000000000
|
|
3934 1440 TIP3 OH2 16.1504594182 45.6084729597 7.2395274150 SOLV 1239 0.0000000000
|
|
3935 1440 TIP3 H1 16.1768264169 44.6968533549 6.9039129542 SOLV 1239 0.0000000000
|
|
3936 1440 TIP3 H2 15.7268879441 45.4909763172 8.1144985984 SOLV 1239 0.0000000000
|
|
3937 1441 TIP3 OH2 0.9700771576 47.4139158070 11.0904514330 SOLV 1240 0.0000000000
|
|
3938 1441 TIP3 H1 1.3091928988 47.4992440626 10.1681474568 SOLV 1240 0.0000000000
|
|
3939 1441 TIP3 H2 1.8162826438 47.1313696475 11.5043185115 SOLV 1240 0.0000000000
|
|
3940 1442 TIP3 OH2 17.1267201294 47.4333887045 17.1839865317 SOLV 1241 0.0000000000
|
|
3941 1442 TIP3 H1 17.6780138064 46.6243838850 17.1155060905 SOLV 1241 0.0000000000
|
|
3942 1442 TIP3 H2 17.6948976432 48.0993981249 16.7330224702 SOLV 1241 0.0000000000
|
|
3943 1443 TIP3 OH2 18.3187306354 44.9869128542 16.6396218944 SOLV 1242 0.0000000000
|
|
3944 1443 TIP3 H1 17.4500982189 44.5615785268 16.8077751905 SOLV 1242 0.0000000000
|
|
3945 1443 TIP3 H2 18.9682768224 44.3165877425 16.9529830357 SOLV 1242 0.0000000000
|
|
3946 1444 TIP3 OH2 15.7150059283 41.8198044427 0.4919916669 SOLV 1243 0.0000000000
|
|
3947 1444 TIP3 H1 16.2501123231 41.0724860559 0.8272157309 SOLV 1243 0.0000000000
|
|
3948 1444 TIP3 H2 14.8111392770 41.5967176019 0.7636058754 SOLV 1243 0.0000000000
|
|
3949 1445 TIP3 OH2 15.8568816137 43.2003238035 5.3814231232 SOLV 1244 0.0000000000
|
|
3950 1445 TIP3 H1 16.1082777903 42.2628175761 5.3204170193 SOLV 1244 0.0000000000
|
|
3951 1445 TIP3 H2 16.5665143001 43.5991362171 4.8464975836 SOLV 1244 0.0000000000
|
|
3952 1446 TIP3 OH2 16.2474706424 43.4575512792 10.8728118355 SOLV 1245 0.0000000000
|
|
3953 1446 TIP3 H1 17.2172918605 43.4501431696 10.7010679408 SOLV 1245 0.0000000000
|
|
3954 1446 TIP3 H2 16.2773682930 43.5678903186 11.8493376690 SOLV 1245 0.0000000000
|
|
3955 1447 TIP3 OH2 16.5148723680 44.1835318053 13.4724756821 SOLV 1246 0.0000000000
|
|
3956 1447 TIP3 H1 15.6455973681 44.3908340482 13.8657281431 SOLV 1246 0.0000000000
|
|
3957 1447 TIP3 H2 16.9523931648 45.0654795290 13.4084470498 SOLV 1246 0.0000000000
|
|
3958 1448 TIP3 OH2 0.9565545674 43.2084111041 17.8342449425 SOLV 1247 0.0000000000
|
|
3959 1448 TIP3 H1 1.8021451362 42.7363062864 17.7328152016 SOLV 1247 0.0000000000
|
|
3960 1448 TIP3 H2 0.3195375170 42.5644198846 17.4529024123 SOLV 1247 0.0000000000
|
|
3961 1449 TIP3 OH2 18.5399727410 38.6617920342 18.5114294962 SOLV 1248 0.0000000000
|
|
3962 1449 TIP3 H1 19.2823033011 38.0731086849 18.2610974815 SOLV 1248 0.0000000000
|
|
3963 1449 TIP3 H2 18.6582594665 39.3880856675 17.8725538218 SOLV 1248 0.0000000000
|
|
3964 1450 TIP3 OH2 16.5606861757 40.4983630117 5.3193663027 SOLV 1249 0.0000000000
|
|
3965 1450 TIP3 H1 16.6410498277 40.1953099775 6.2569872792 SOLV 1249 0.0000000000
|
|
3966 1450 TIP3 H2 15.8819775137 39.8894786386 4.9682436963 SOLV 1249 0.0000000000
|
|
3967 1451 TIP3 OH2 1.8524326036 40.9379055175 9.9694939588 SOLV 1250 0.0000000000
|
|
3968 1451 TIP3 H1 2.3938059350 40.1187725409 10.0379216142 SOLV 1250 0.0000000000
|
|
3969 1451 TIP3 H2 2.5264898274 41.6193577093 10.1090994169 SOLV 1250 0.0000000000
|
|
3970 1452 TIP3 OH2 0.2380151376 44.5752675582 10.9805049158 SOLV 1251 0.0000000000
|
|
3971 1452 TIP3 H1 0.8128313138 44.0359427909 10.4125811167 SOLV 1251 0.0000000000
|
|
3972 1452 TIP3 H2 0.7217617103 45.4078799811 11.0347601844 SOLV 1251 0.0000000000
|
|
3973 1453 TIP3 OH2 18.3137527076 40.4207094436 16.3913147471 SOLV 1252 0.0000000000
|
|
3974 1453 TIP3 H1 17.4609914664 40.8998129789 16.4401047269 SOLV 1252 0.0000000000
|
|
3975 1453 TIP3 H2 17.9937624270 39.6542325609 15.8766896156 SOLV 1252 0.0000000000
|
|
3976 1454 TIP3 OH2 17.7563737851 40.3903433686 1.7476350372 SOLV 1253 0.0000000000
|
|
3977 1454 TIP3 H1 18.1166520958 40.5149695779 0.8350999548 SOLV 1253 0.0000000000
|
|
3978 1454 TIP3 H2 18.3844628558 40.9181880888 2.2646685616 SOLV 1253 0.0000000000
|
|
3979 1455 TIP3 OH2 1.5755039255 39.8342042705 4.4854614869 SOLV 1254 0.0000000000
|
|
3980 1455 TIP3 H1 0.9620517355 39.9459822823 5.2256471517 SOLV 1254 0.0000000000
|
|
3981 1455 TIP3 H2 1.5811575396 40.7488630549 4.1680991192 SOLV 1254 0.0000000000
|
|
3982 1456 TIP3 OH2 0.8384888460 38.9805435571 13.0448112910 SOLV 1255 0.0000000000
|
|
3983 1456 TIP3 H1 -0.1028278916 38.9005631120 13.3132737483 SOLV 1255 0.0000000000
|
|
3984 1456 TIP3 H2 0.7630359780 39.5456263461 12.2559863292 SOLV 1255 0.0000000000
|
|
3985 1457 TIP3 OH2 17.3085079415 38.2244572552 15.0670604900 SOLV 1256 0.0000000000
|
|
3986 1457 TIP3 H1 16.4921829593 38.2093046452 14.5435203849 SOLV 1256 0.0000000000
|
|
3987 1457 TIP3 H2 17.6401617152 37.3144107517 14.9456339602 SOLV 1256 0.0000000000
|
|
3988 1458 TIP3 OH2 10.5450884428 39.8629066876 9.4682631922 SOLV 1257 0.0000000000
|
|
3989 1458 TIP3 H1 10.0528512385 39.0302395072 9.5743442765 SOLV 1257 0.0000000000
|
|
3990 1458 TIP3 H2 11.2713497862 39.5822391107 8.8836013548 SOLV 1257 0.0000000000
|
|
3991 1459 TIP3 OH2 15.4775254962 38.2874154666 9.2973120313 SOLV 1258 0.0000000000
|
|
3992 1459 TIP3 H1 16.0768340415 38.8124563328 8.7062228033 SOLV 1258 0.0000000000
|
|
3993 1459 TIP3 H2 14.6123179801 38.7028326282 9.1363783338 SOLV 1258 0.0000000000
|
|
3994 1460 TIP3 OH2 17.3738159813 39.1108048301 7.5632656071 SOLV 1259 0.0000000000
|
|
3995 1460 TIP3 H1 17.9772646071 38.4886739594 7.1052329278 SOLV 1259 0.0000000000
|
|
3996 1460 TIP3 H2 18.0193401068 39.7966956311 7.8787566854 SOLV 1259 0.0000000000
|
|
3997 1461 TIP3 OH2 3.1828127877 38.2102665719 7.3172165447 SOLV 1260 0.0000000000
|
|
3998 1461 TIP3 H1 2.2936457823 38.0974787378 6.9191649006 SOLV 1260 0.0000000000
|
|
3999 1461 TIP3 H2 3.5472096051 37.3096861722 7.1352093354 SOLV 1260 0.0000000000
|
|
4000 1462 TIP3 OH2 2.0325682152 37.8848124832 2.5822109951 SOLV 1261 0.0000000000
|
|
4001 1462 TIP3 H1 2.5353518659 38.5978098559 2.1207249249 SOLV 1261 0.0000000000
|
|
4002 1462 TIP3 H2 1.6492653172 38.4376275088 3.3074417081 SOLV 1261 0.0000000000
|
|
4003 1463 TIP3 OH2 7.3971395277 38.0041011178 7.2677169975 SOLV 1262 0.0000000000
|
|
4004 1463 TIP3 H1 8.1630845848 38.3367488259 6.7727993660 SOLV 1262 0.0000000000
|
|
4005 1463 TIP3 H2 7.7472195857 37.9345417311 8.1695679832 SOLV 1262 0.0000000000
|
|
4006 1464 TIP3 OH2 12.7394117890 38.6002715947 8.2231565808 SOLV 1263 0.0000000000
|
|
4007 1464 TIP3 H1 12.9290073565 38.1320089085 7.3970473681 SOLV 1263 0.0000000000
|
|
4008 1464 TIP3 H2 12.5749384052 37.8292411253 8.8289793321 SOLV 1263 0.0000000000
|
|
4009 1465 TIP3 OH2 14.4762976934 38.8769897745 4.5073230972 SOLV 1264 0.0000000000
|
|
4010 1465 TIP3 H1 13.6549351990 39.3846030983 4.6934426904 SOLV 1264 0.0000000000
|
|
4011 1465 TIP3 H2 14.1930728038 37.9590050799 4.7065730922 SOLV 1264 0.0000000000
|
|
4012 1466 TIP3 OH2 3.8309901747 39.9181629647 1.5952818226 SOLV 1265 0.0000000000
|
|
4013 1466 TIP3 H1 4.2318811027 40.2074842075 0.7713509052 SOLV 1265 0.0000000000
|
|
4014 1466 TIP3 H2 4.5950285733 40.0285751625 2.1970637319 SOLV 1265 0.0000000000
|
|
4015 1467 TIP3 OH2 8.7932585947 40.6460180323 3.7279127447 SOLV 1266 0.0000000000
|
|
4016 1467 TIP3 H1 9.2726973000 40.0695789893 4.3581999116 SOLV 1266 0.0000000000
|
|
4017 1467 TIP3 H2 8.9319788559 41.4992472520 4.1858263001 SOLV 1266 0.0000000000
|
|
4018 1468 TIP3 OH2 2.9087685810 39.0709680365 16.6321108273 SOLV 1267 0.0000000000
|
|
4019 1468 TIP3 H1 2.4618741985 38.2090556455 16.7506833730 SOLV 1267 0.0000000000
|
|
4020 1468 TIP3 H2 3.7251194533 38.9217284754 17.1571650071 SOLV 1267 0.0000000000
|
|
4021 1469 TIP3 OH2 4.9509975094 38.4935036743 18.4349295236 SOLV 1268 0.0000000000
|
|
4022 1469 TIP3 H1 5.8726196628 38.3449373262 18.1312584977 SOLV 1268 0.0000000000
|
|
4023 1469 TIP3 H2 4.7135801164 37.5716172658 18.6621986231 SOLV 1268 0.0000000000
|
|
4024 1470 TIP3 OH2 13.4719348007 38.1394190144 18.5510122243 SOLV 1269 0.0000000000
|
|
4025 1470 TIP3 H1 13.3490759439 37.5246486218 19.3077877467 SOLV 1269 0.0000000000
|
|
4026 1470 TIP3 H2 14.3252312737 37.8058698601 18.2181964934 SOLV 1269 0.0000000000
|
|
4027 1471 TIP3 OH2 30.8647034117 47.4636109249 7.0532238569 SOLV 1270 0.0000000000
|
|
4028 1471 TIP3 H1 30.6690096642 48.3347146668 7.4299448422 SOLV 1270 0.0000000000
|
|
4029 1471 TIP3 H2 30.3181556841 47.4395083759 6.2493831663 SOLV 1270 0.0000000000
|
|
4030 1472 TIP3 OH2 29.7484354378 46.7975142571 10.5272546357 SOLV 1271 0.0000000000
|
|
4031 1472 TIP3 H1 29.9798743226 46.2630349130 11.3067286198 SOLV 1271 0.0000000000
|
|
4032 1472 TIP3 H2 29.2018330713 46.1746380704 9.9940539870 SOLV 1271 0.0000000000
|
|
4033 1473 TIP3 OH2 21.7012526803 46.3248011358 12.0358789101 SOLV 1272 0.0000000000
|
|
4034 1473 TIP3 H1 21.7739848489 45.4693128370 12.5072906811 SOLV 1272 0.0000000000
|
|
4035 1473 TIP3 H2 22.2914672141 46.8650228050 12.5803134139 SOLV 1272 0.0000000000
|
|
4036 1474 TIP3 OH2 33.1750072216 49.1700205874 8.8923269937 SOLV 1273 0.0000000000
|
|
4037 1474 TIP3 H1 33.1032911976 48.5124492670 9.6112270394 SOLV 1273 0.0000000000
|
|
4038 1474 TIP3 H2 33.8725971265 49.7884567724 9.2144050536 SOLV 1273 0.0000000000
|
|
4039 1475 TIP3 OH2 19.8770975984 44.2581610350 5.8391867933 SOLV 1274 0.0000000000
|
|
4040 1475 TIP3 H1 19.7489066722 45.2080512768 5.9586148989 SOLV 1274 0.0000000000
|
|
4041 1475 TIP3 H2 19.2696164375 44.1117526546 5.0856780228 SOLV 1274 0.0000000000
|
|
4042 1476 TIP3 OH2 20.4503176580 46.8508157914 8.4363279664 SOLV 1275 0.0000000000
|
|
4043 1476 TIP3 H1 20.7580536731 45.9203104567 8.5876015811 SOLV 1275 0.0000000000
|
|
4044 1476 TIP3 H2 21.2624134640 47.3717948370 8.6271235880 SOLV 1275 0.0000000000
|
|
4045 1477 TIP3 OH2 28.3104902496 49.0020614154 11.0923751032 SOLV 1276 0.0000000000
|
|
4046 1477 TIP3 H1 28.8109003769 48.2605470359 10.6722307555 SOLV 1276 0.0000000000
|
|
4047 1477 TIP3 H2 28.9828436812 49.2899649487 11.7571732580 SOLV 1276 0.0000000000
|
|
4048 1478 TIP3 OH2 36.8979182111 41.0448349115 11.7523991398 SOLV 1277 0.0000000000
|
|
4049 1478 TIP3 H1 37.2038409912 41.6828731608 12.4363949383 SOLV 1277 0.0000000000
|
|
4050 1478 TIP3 H2 37.6514814179 41.0574876441 11.1444693039 SOLV 1277 0.0000000000
|
|
4051 1479 TIP3 OH2 31.4217774573 43.7529928585 10.8744902383 SOLV 1278 0.0000000000
|
|
4052 1479 TIP3 H1 31.5694100825 42.7986841989 11.0207651978 SOLV 1278 0.0000000000
|
|
4053 1479 TIP3 H2 31.3384259332 43.7412977063 9.8952361022 SOLV 1278 0.0000000000
|
|
4054 1480 TIP3 OH2 24.8442865045 41.6618025810 8.1934661136 SOLV 1279 0.0000000000
|
|
4055 1480 TIP3 H1 24.9853433534 42.4725946213 7.6748268688 SOLV 1279 0.0000000000
|
|
4056 1480 TIP3 H2 24.2439780703 41.1499785143 7.6082560018 SOLV 1279 0.0000000000
|
|
4057 1481 TIP3 OH2 32.6207089148 41.9930251168 6.6358450799 SOLV 1280 0.0000000000
|
|
4058 1481 TIP3 H1 33.0567897348 41.7561802349 7.4813638125 SOLV 1280 0.0000000000
|
|
4059 1481 TIP3 H2 33.3136791470 42.5387121540 6.2089130735 SOLV 1280 0.0000000000
|
|
4060 1482 TIP3 OH2 21.2586757239 44.3610173652 9.1431512719 SOLV 1281 0.0000000000
|
|
4061 1482 TIP3 H1 21.8636897475 44.0102292568 9.8159200720 SOLV 1281 0.0000000000
|
|
4062 1482 TIP3 H2 21.5145172610 43.8616163662 8.3350543994 SOLV 1281 0.0000000000
|
|
4063 1483 TIP3 OH2 26.0313695798 45.8542348303 8.7953931894 SOLV 1282 0.0000000000
|
|
4064 1483 TIP3 H1 26.9085106845 45.4833171571 9.0098458749 SOLV 1282 0.0000000000
|
|
4065 1483 TIP3 H2 25.7274536793 45.1743682343 8.1594415759 SOLV 1282 0.0000000000
|
|
4066 1484 TIP3 OH2 37.3908206236 42.4892249495 14.0531891484 SOLV 1283 0.0000000000
|
|
4067 1484 TIP3 H1 36.6900778226 43.1605943227 13.8982920696 SOLV 1283 0.0000000000
|
|
4068 1484 TIP3 H2 37.6492866175 42.7196359448 14.9587388054 SOLV 1283 0.0000000000
|
|
4069 1485 TIP3 OH2 23.5365360237 40.7603882873 12.5589578102 SOLV 1284 0.0000000000
|
|
4070 1485 TIP3 H1 23.2032925498 41.2469519546 11.7733220944 SOLV 1284 0.0000000000
|
|
4071 1485 TIP3 H2 22.8311349703 41.0059937993 13.1977816717 SOLV 1284 0.0000000000
|
|
4072 1486 TIP3 OH2 25.7935770248 48.5564200689 12.0320952474 SOLV 1285 0.0000000000
|
|
4073 1486 TIP3 H1 25.3520575298 49.4326252782 12.0244247194 SOLV 1285 0.0000000000
|
|
4074 1486 TIP3 H2 26.6666619817 48.7980139633 11.6684039738 SOLV 1285 0.0000000000
|
|
4075 1487 TIP3 OH2 33.7212467378 41.6779354797 9.2160584110 SOLV 1286 0.0000000000
|
|
4076 1487 TIP3 H1 32.9960000439 41.2466364855 9.7031050559 SOLV 1286 0.0000000000
|
|
4077 1487 TIP3 H2 34.1724811805 42.2010349788 9.9258596858 SOLV 1286 0.0000000000
|
|
4078 1488 TIP3 OH2 23.4004793696 42.5689122525 10.4345178141 SOLV 1287 0.0000000000
|
|
4079 1488 TIP3 H1 24.0500597260 43.1489845374 10.9133904923 SOLV 1287 0.0000000000
|
|
4080 1488 TIP3 H2 23.9101453220 42.3063102208 9.6361148123 SOLV 1287 0.0000000000
|
|
4081 1489 TIP3 OH2 34.3112647186 40.6112221131 12.5961111750 SOLV 1288 0.0000000000
|
|
4082 1489 TIP3 H1 33.6989490721 40.8701368044 11.8908527018 SOLV 1288 0.0000000000
|
|
4083 1489 TIP3 H2 35.1853312222 40.6491074480 12.1393419905 SOLV 1288 0.0000000000
|
|
4084 1490 TIP3 OH2 26.9882896845 37.7887227777 9.9410116140 SOLV 1289 0.0000000000
|
|
4085 1490 TIP3 H1 26.6949140165 36.8573980421 10.0059817421 SOLV 1289 0.0000000000
|
|
4086 1490 TIP3 H2 26.1628060782 38.2311433470 10.2293654674 SOLV 1289 0.0000000000
|
|
4087 1491 TIP3 OH2 29.7295431767 46.8866478773 4.5282493074 SOLV 1290 0.0000000000
|
|
4088 1491 TIP3 H1 29.1089667084 47.5859291229 4.1808837860 SOLV 1290 0.0000000000
|
|
4089 1491 TIP3 H2 30.3618001576 46.7575212990 3.7909011081 SOLV 1290 0.0000000000
|
|
4090 1492 TIP3 OH2 29.8956945459 45.5172256084 0.9380346639 SOLV 1291 0.0000000000
|
|
4091 1492 TIP3 H1 30.5796780956 45.9129760393 1.5042605617 SOLV 1291 0.0000000000
|
|
4092 1492 TIP3 H2 30.4198638437 44.7803377846 0.5340223378 SOLV 1291 0.0000000000
|
|
4093 1493 TIP3 OH2 36.7362360764 46.4791190715 12.7667031801 SOLV 1292 0.0000000000
|
|
4094 1493 TIP3 H1 36.0217132104 47.1637890899 12.8445667947 SOLV 1292 0.0000000000
|
|
4095 1493 TIP3 H2 37.2691251700 46.8561719951 12.0326016246 SOLV 1292 0.0000000000
|
|
4096 1494 TIP3 OH2 33.0457868359 46.4434918322 5.6293393836 SOLV 1293 0.0000000000
|
|
4097 1494 TIP3 H1 32.2617140049 46.7232727257 6.1608615387 SOLV 1293 0.0000000000
|
|
4098 1494 TIP3 H2 33.7201960065 46.3297915691 6.3242765983 SOLV 1293 0.0000000000
|
|
4099 1495 TIP3 OH2 32.9575493991 45.0246067533 14.8183938371 SOLV 1294 0.0000000000
|
|
4100 1495 TIP3 H1 32.8448755849 45.8477522368 15.3380493152 SOLV 1294 0.0000000000
|
|
4101 1495 TIP3 H2 32.2930605942 45.2206873512 14.1108581816 SOLV 1294 0.0000000000
|
|
4102 1496 TIP3 OH2 24.5016506509 47.5954692541 7.3886339242 SOLV 1295 0.0000000000
|
|
4103 1496 TIP3 H1 24.2080018304 47.1727820531 6.5459358296 SOLV 1295 0.0000000000
|
|
4104 1496 TIP3 H2 25.1387081017 46.9569460177 7.7677368543 SOLV 1295 0.0000000000
|
|
4105 1497 TIP3 OH2 24.5629980278 46.4682051156 11.0032695473 SOLV 1296 0.0000000000
|
|
4106 1497 TIP3 H1 25.0195800782 46.3449439358 10.1415757840 SOLV 1296 0.0000000000
|
|
4107 1497 TIP3 H2 25.1068537070 47.1917257425 11.3800573764 SOLV 1296 0.0000000000
|
|
4108 1498 TIP3 OH2 31.7836588416 46.4647213128 2.9466889912 SOLV 1297 0.0000000000
|
|
4109 1498 TIP3 H1 32.3325802899 46.7263819538 3.7145717235 SOLV 1297 0.0000000000
|
|
4110 1498 TIP3 H2 32.3789844012 46.7740715362 2.2102472497 SOLV 1297 0.0000000000
|
|
4111 1499 TIP3 OH2 22.8429748194 46.7676614969 14.7324441573 SOLV 1298 0.0000000000
|
|
4112 1499 TIP3 H1 23.0659896058 47.4543352875 15.3895144398 SOLV 1298 0.0000000000
|
|
4113 1499 TIP3 H2 21.8739984513 46.7692395050 14.8048956816 SOLV 1298 0.0000000000
|
|
4114 1500 TIP3 OH2 35.7349535143 38.1492735501 3.2503239697 SOLV 1299 0.0000000000
|
|
4115 1500 TIP3 H1 34.7699076824 38.2783765413 3.3185580052 SOLV 1299 0.0000000000
|
|
4116 1500 TIP3 H2 36.0130861862 38.9895528618 2.8297034995 SOLV 1299 0.0000000000
|
|
4117 1501 TIP3 OH2 23.3733877249 46.6824472133 5.1343616567 SOLV 1300 0.0000000000
|
|
4118 1501 TIP3 H1 23.0645222335 47.3860627911 4.5263581686 SOLV 1300 0.0000000000
|
|
4119 1501 TIP3 H2 23.3010922406 45.9061015135 4.5626933328 SOLV 1300 0.0000000000
|
|
4120 1502 TIP3 OH2 19.7022985892 49.1226123346 13.7414371623 SOLV 1301 0.0000000000
|
|
4121 1502 TIP3 H1 19.2044161845 49.0354702379 12.9050683369 SOLV 1301 0.0000000000
|
|
4122 1502 TIP3 H2 20.0764541206 48.2326105878 13.8099244285 SOLV 1301 0.0000000000
|
|
4123 1503 TIP3 OH2 34.6840322295 43.7423217546 16.6386403236 SOLV 1302 0.0000000000
|
|
4124 1503 TIP3 H1 34.1599709500 44.1900321971 15.9429831075 SOLV 1302 0.0000000000
|
|
4125 1503 TIP3 H2 34.8833175273 42.8874898806 16.1722860137 SOLV 1302 0.0000000000
|
|
4126 1504 TIP3 OH2 24.7506457049 38.9852808034 10.8867157080 SOLV 1303 0.0000000000
|
|
4127 1504 TIP3 H1 23.9284778465 38.8571870298 10.3644292567 SOLV 1303 0.0000000000
|
|
4128 1504 TIP3 H2 24.4314414915 39.6176059830 11.5617965789 SOLV 1303 0.0000000000
|
|
4129 1505 TIP3 OH2 29.4083968537 38.5889735230 14.3096977455 SOLV 1304 0.0000000000
|
|
4130 1505 TIP3 H1 29.7934989161 38.0669671605 15.0410792764 SOLV 1304 0.0000000000
|
|
4131 1505 TIP3 H2 28.4449111975 38.5668734512 14.4954018369 SOLV 1304 0.0000000000
|
|
4132 1506 TIP3 OH2 32.0545440346 42.5214238361 15.1251232821 SOLV 1305 0.0000000000
|
|
4133 1506 TIP3 H1 31.3970396822 42.4096382130 15.8653736242 SOLV 1305 0.0000000000
|
|
4134 1506 TIP3 H2 32.3697794925 43.4421919845 15.2556597425 SOLV 1305 0.0000000000
|
|
4135 1507 TIP3 OH2 33.3969090243 47.1184070503 1.0215211238 SOLV 1306 0.0000000000
|
|
4136 1507 TIP3 H1 33.0751469817 47.1987794052 0.0965280995 SOLV 1306 0.0000000000
|
|
4137 1507 TIP3 H2 34.3345701185 47.3547432580 0.8817669588 SOLV 1306 0.0000000000
|
|
4138 1508 TIP3 OH2 28.8285308757 41.4884627955 1.3861175296 SOLV 1307 0.0000000000
|
|
4139 1508 TIP3 H1 28.2266811057 41.1983858450 2.1096997886 SOLV 1307 0.0000000000
|
|
4140 1508 TIP3 H2 29.0963304144 40.6386898349 1.0143331194 SOLV 1307 0.0000000000
|
|
4141 1509 TIP3 OH2 24.7577913816 44.1083095174 12.2314143035 SOLV 1308 0.0000000000
|
|
4142 1509 TIP3 H1 23.9211292041 43.9762663221 12.7321479984 SOLV 1308 0.0000000000
|
|
4143 1509 TIP3 H2 24.5676234238 44.9911696794 11.8248187908 SOLV 1308 0.0000000000
|
|
4144 1510 TIP3 OH2 24.8037347885 44.1365725743 7.1096595397 SOLV 1309 0.0000000000
|
|
4145 1510 TIP3 H1 23.8277987605 44.0705874956 7.0955655264 SOLV 1309 0.0000000000
|
|
4146 1510 TIP3 H2 25.0329030101 43.9440602450 6.1806075462 SOLV 1309 0.0000000000
|
|
4147 1511 TIP3 OH2 30.2822817534 44.4232023121 5.7069670357 SOLV 1310 0.0000000000
|
|
4148 1511 TIP3 H1 30.0004218714 45.3059476653 5.3899206246 SOLV 1310 0.0000000000
|
|
4149 1511 TIP3 H2 30.9102173750 44.1679010021 4.9996238054 SOLV 1310 0.0000000000
|
|
4150 1512 TIP3 OH2 29.3621419543 44.7360947496 16.4168082433 SOLV 1311 0.0000000000
|
|
4151 1512 TIP3 H1 28.9582883169 44.0440637766 16.9887264218 SOLV 1311 0.0000000000
|
|
4152 1512 TIP3 H2 29.7624517207 45.3483519673 17.0715896684 SOLV 1311 0.0000000000
|
|
4153 1513 TIP3 OH2 31.2481008369 43.6390878119 8.2422372304 SOLV 1312 0.0000000000
|
|
4154 1513 TIP3 H1 30.8486266312 44.2701594758 7.6177308089 SOLV 1312 0.0000000000
|
|
4155 1513 TIP3 H2 31.6300184890 43.0250779742 7.5842004880 SOLV 1312 0.0000000000
|
|
4156 1514 TIP3 OH2 22.3278553424 44.0093236810 13.3818150329 SOLV 1313 0.0000000000
|
|
4157 1514 TIP3 H1 22.3678150643 44.5513747715 14.1859135253 SOLV 1313 0.0000000000
|
|
4158 1514 TIP3 H2 21.9113257768 43.1892599729 13.7240359700 SOLV 1313 0.0000000000
|
|
4159 1515 TIP3 OH2 24.9060398019 41.4813970285 0.2796361748 SOLV 1314 0.0000000000
|
|
4160 1515 TIP3 H1 24.8694413852 41.3442477742 1.2613081666 SOLV 1314 0.0000000000
|
|
4161 1515 TIP3 H2 24.6008240376 42.3966944608 0.1811450890 SOLV 1314 0.0000000000
|
|
4162 1516 TIP3 OH2 19.0920975035 41.1162727216 7.8820684246 SOLV 1315 0.0000000000
|
|
4163 1516 TIP3 H1 19.7893035051 41.2670392029 8.5409345365 SOLV 1315 0.0000000000
|
|
4164 1516 TIP3 H2 19.5137527833 41.3616627518 7.0421674448 SOLV 1315 0.0000000000
|
|
4165 1517 TIP3 OH2 19.7393466673 42.1523927465 2.9597064261 SOLV 1316 0.0000000000
|
|
4166 1517 TIP3 H1 20.4263217037 42.5233985677 2.3860810355 SOLV 1316 0.0000000000
|
|
4167 1517 TIP3 H2 19.2513817979 42.9584468628 3.2347271200 SOLV 1316 0.0000000000
|
|
4168 1518 TIP3 OH2 30.8198882696 45.4374686775 12.8975904370 SOLV 1317 0.0000000000
|
|
4169 1518 TIP3 H1 31.1875073590 44.7984023190 12.2422573836 SOLV 1317 0.0000000000
|
|
4170 1518 TIP3 H2 30.1032178400 44.9174120201 13.3151433810 SOLV 1317 0.0000000000
|
|
4171 1519 TIP3 OH2 27.8522724264 41.4048520839 7.8595975458 SOLV 1318 0.0000000000
|
|
4172 1519 TIP3 H1 26.9480489396 41.4416154125 8.2012323363 SOLV 1318 0.0000000000
|
|
4173 1519 TIP3 H2 28.3162913957 40.9770780335 8.6122159023 SOLV 1318 0.0000000000
|
|
4174 1520 TIP3 OH2 22.1726308546 43.2683109459 6.8356565502 SOLV 1319 0.0000000000
|
|
4175 1520 TIP3 H1 21.4209254191 43.6632567164 6.3364813360 SOLV 1319 0.0000000000
|
|
4176 1520 TIP3 H2 22.2294560178 42.3650703040 6.4731202945 SOLV 1319 0.0000000000
|
|
4177 1521 TIP3 OH2 25.4092265021 43.2363801153 4.6090403617 SOLV 1320 0.0000000000
|
|
4178 1521 TIP3 H1 26.3888207562 43.2240826469 4.6920706556 SOLV 1320 0.0000000000
|
|
4179 1521 TIP3 H2 25.2436587952 44.0308686684 4.0751519886 SOLV 1320 0.0000000000
|
|
4180 1522 TIP3 OH2 31.5117468394 41.0752924703 11.0435659451 SOLV 1321 0.0000000000
|
|
4181 1522 TIP3 H1 31.0937230986 40.9884999618 11.9288876216 SOLV 1321 0.0000000000
|
|
4182 1522 TIP3 H2 30.8789476488 40.5628008245 10.5045452415 SOLV 1321 0.0000000000
|
|
4183 1523 TIP3 OH2 24.2408140551 45.0868128038 2.8506029795 SOLV 1322 0.0000000000
|
|
4184 1523 TIP3 H1 23.7771487293 44.3530222149 2.4283990915 SOLV 1322 0.0000000000
|
|
4185 1523 TIP3 H2 25.0521775369 45.1397541261 2.2986436196 SOLV 1322 0.0000000000
|
|
4186 1524 TIP3 OH2 23.0246325270 48.5374158989 17.1668686187 SOLV 1323 0.0000000000
|
|
4187 1524 TIP3 H1 23.4446794763 49.1958435493 17.7552704753 SOLV 1323 0.0000000000
|
|
4188 1524 TIP3 H2 22.0875774951 48.6979989471 17.4063128112 SOLV 1323 0.0000000000
|
|
4189 1525 TIP3 OH2 28.3177287995 44.6000240810 9.6780512965 SOLV 1324 0.0000000000
|
|
4190 1525 TIP3 H1 28.9930485977 43.9262416832 9.5199699411 SOLV 1324 0.0000000000
|
|
4191 1525 TIP3 H2 27.8292040076 44.1892167315 10.4216434593 SOLV 1324 0.0000000000
|
|
4192 1526 TIP3 OH2 22.9980816135 40.6144630447 6.4750287651 SOLV 1325 0.0000000000
|
|
4193 1526 TIP3 H1 22.5684501669 39.7915663255 6.7870370920 SOLV 1325 0.0000000000
|
|
4194 1526 TIP3 H2 23.5355039384 40.2780059356 5.7451733599 SOLV 1325 0.0000000000
|
|
4195 1527 TIP3 OH2 27.1645952489 43.1742507745 11.8380229258 SOLV 1326 0.0000000000
|
|
4196 1527 TIP3 H1 26.3374749928 43.6482841230 12.1002080639 SOLV 1326 0.0000000000
|
|
4197 1527 TIP3 H2 27.7897113547 43.4636008753 12.5505767444 SOLV 1326 0.0000000000
|
|
4198 1528 TIP3 OH2 27.9090786794 48.6955042453 3.8147755721 SOLV 1327 0.0000000000
|
|
4199 1528 TIP3 H1 27.2086781402 48.5972654917 3.1656135674 SOLV 1327 0.0000000000
|
|
4200 1528 TIP3 H2 27.3917448412 48.9848049911 4.6010792154 SOLV 1327 0.0000000000
|
|
4201 1529 TIP3 OH2 34.7618426091 48.4299886793 12.5929845033 SOLV 1328 0.0000000000
|
|
4202 1529 TIP3 H1 35.3671412952 48.8571413567 11.9565583008 SOLV 1328 0.0000000000
|
|
4203 1529 TIP3 H2 34.0021137526 48.1654400050 12.0306989637 SOLV 1328 0.0000000000
|
|
4204 1530 TIP3 OH2 31.3400489818 41.6599211535 2.4202276336 SOLV 1329 0.0000000000
|
|
4205 1530 TIP3 H1 30.4251681244 41.8117835382 2.1062491148 SOLV 1329 0.0000000000
|
|
4206 1530 TIP3 H2 31.6068988282 42.5628058908 2.7167479552 SOLV 1329 0.0000000000
|
|
4207 1531 TIP3 OH2 29.7154242812 49.2043175875 15.7371712195 SOLV 1330 0.0000000000
|
|
4208 1531 TIP3 H1 29.8465510857 48.5122848385 16.4224330734 SOLV 1330 0.0000000000
|
|
4209 1531 TIP3 H2 28.9693237899 49.7101001366 16.1287695768 SOLV 1330 0.0000000000
|
|
4210 1532 TIP3 OH2 32.1322649088 43.9383661593 3.7051002612 SOLV 1331 0.0000000000
|
|
4211 1532 TIP3 H1 32.9862131076 43.9944298760 4.1646884718 SOLV 1331 0.0000000000
|
|
4212 1532 TIP3 H2 32.0326382314 44.8389727076 3.3121230950 SOLV 1331 0.0000000000
|
|
4213 1533 TIP3 OH2 22.6325159381 48.2092081387 9.4054924525 SOLV 1332 0.0000000000
|
|
4214 1533 TIP3 H1 23.3397027364 48.0536477711 8.7359242736 SOLV 1332 0.0000000000
|
|
4215 1533 TIP3 H2 22.8764386561 47.5782096973 10.1152241472 SOLV 1332 0.0000000000
|
|
4216 1534 TIP3 OH2 19.9101804658 46.1815467862 14.7811940256 SOLV 1333 0.0000000000
|
|
4217 1534 TIP3 H1 19.4864734377 45.8067309370 15.5786445554 SOLV 1333 0.0000000000
|
|
4218 1534 TIP3 H2 19.1761101122 46.1580566161 14.1226328755 SOLV 1333 0.0000000000
|
|
4219 1535 TIP3 OH2 26.8723628663 45.8388474919 17.2127999220 SOLV 1334 0.0000000000
|
|
4220 1535 TIP3 H1 26.1865307983 45.5763457444 16.5509682124 SOLV 1334 0.0000000000
|
|
4221 1535 TIP3 H2 27.6690171282 45.6504866301 16.6784470934 SOLV 1334 0.0000000000
|
|
4222 1536 TIP3 OH2 36.9210274927 44.2169271473 3.7894424503 SOLV 1335 0.0000000000
|
|
4223 1536 TIP3 H1 36.3875874624 43.9511056348 2.9998201232 SOLV 1335 0.0000000000
|
|
4224 1536 TIP3 H2 37.1295895369 45.1256728921 3.4600268755 SOLV 1335 0.0000000000
|
|
4225 1537 TIP3 OH2 37.2615454807 49.4324321750 15.9788930841 SOLV 1336 0.0000000000
|
|
4226 1537 TIP3 H1 36.5287005705 50.0401312256 15.7766258421 SOLV 1336 0.0000000000
|
|
4227 1537 TIP3 H2 37.6719818389 49.3739563723 15.0908789066 SOLV 1336 0.0000000000
|
|
4228 1538 TIP3 OH2 32.8070323038 47.3709309135 10.8921151511 SOLV 1337 0.0000000000
|
|
4229 1538 TIP3 H1 31.8401233478 47.3106025439 10.8443001722 SOLV 1337 0.0000000000
|
|
4230 1538 TIP3 H2 33.0577684969 46.5867959837 10.3435077080 SOLV 1337 0.0000000000
|
|
4231 1539 TIP3 OH2 21.1443718566 46.3811085846 1.8116178947 SOLV 1338 0.0000000000
|
|
4232 1539 TIP3 H1 21.5954137350 46.9612982771 2.4457471666 SOLV 1338 0.0000000000
|
|
4233 1539 TIP3 H2 20.2078209608 46.6290604573 2.0235639254 SOLV 1338 0.0000000000
|
|
4234 1540 TIP3 OH2 26.3761879128 48.9657693549 6.0718711243 SOLV 1339 0.0000000000
|
|
4235 1540 TIP3 H1 26.2686755027 49.9204539206 6.3438657542 SOLV 1339 0.0000000000
|
|
4236 1540 TIP3 H2 25.7835395435 48.4995262824 6.6827762069 SOLV 1339 0.0000000000
|
|
4237 1541 TIP3 OH2 30.1947399320 49.2027245202 13.0477445700 SOLV 1340 0.0000000000
|
|
4238 1541 TIP3 H1 30.2390076342 48.9452235475 13.9914818530 SOLV 1340 0.0000000000
|
|
4239 1541 TIP3 H2 30.9277556190 48.6882606650 12.6632029135 SOLV 1340 0.0000000000
|
|
4240 1542 TIP3 OH2 21.2465825066 41.6114368387 14.0643771060 SOLV 1341 0.0000000000
|
|
4241 1542 TIP3 H1 20.3217880493 41.9328650342 14.0121129243 SOLV 1341 0.0000000000
|
|
4242 1542 TIP3 H2 21.1808310652 40.9159311099 14.7409076880 SOLV 1341 0.0000000000
|
|
4243 1543 TIP3 OH2 33.6449857379 48.8683938617 4.2007230149 SOLV 1342 0.0000000000
|
|
4244 1543 TIP3 H1 33.5106176147 48.0450154361 4.6962523570 SOLV 1342 0.0000000000
|
|
4245 1543 TIP3 H2 34.5849851968 48.7844565430 3.9208875570 SOLV 1342 0.0000000000
|
|
4246 1544 TIP3 OH2 22.3821120860 48.4461410736 3.1297001641 SOLV 1343 0.0000000000
|
|
4247 1544 TIP3 H1 21.6650336017 49.0836878981 3.3673030236 SOLV 1343 0.0000000000
|
|
4248 1544 TIP3 H2 22.9633280691 49.0381252769 2.6306871855 SOLV 1343 0.0000000000
|
|
4249 1545 TIP3 OH2 30.2399532994 41.1200935467 13.6495012970 SOLV 1344 0.0000000000
|
|
4250 1545 TIP3 H1 30.9817672630 41.4339258945 14.1823297981 SOLV 1344 0.0000000000
|
|
4251 1545 TIP3 H2 29.9867269324 40.2759496679 14.1045971572 SOLV 1344 0.0000000000
|
|
4252 1546 TIP3 OH2 31.1129964165 40.4790115074 4.8429495936 SOLV 1345 0.0000000000
|
|
4253 1546 TIP3 H1 31.3590773442 40.8831154652 3.9721541013 SOLV 1345 0.0000000000
|
|
4254 1546 TIP3 H2 31.6264168698 41.0532776862 5.4408278320 SOLV 1345 0.0000000000
|
|
4255 1547 TIP3 OH2 27.9838825046 42.8549080903 5.4383336464 SOLV 1346 0.0000000000
|
|
4256 1547 TIP3 H1 28.7907440647 43.4046856032 5.5691548225 SOLV 1346 0.0000000000
|
|
4257 1547 TIP3 H2 27.8814137571 42.4537503448 6.3293916175 SOLV 1346 0.0000000000
|
|
4258 1548 TIP3 OH2 29.0230436752 43.6242061162 13.8384099862 SOLV 1347 0.0000000000
|
|
4259 1548 TIP3 H1 29.1410026792 43.8675693214 14.7794016317 SOLV 1347 0.0000000000
|
|
4260 1548 TIP3 H2 29.3757477783 42.7124673920 13.7893870896 SOLV 1347 0.0000000000
|
|
4261 1549 TIP3 OH2 28.8729099200 39.4667229091 6.0703504395 SOLV 1348 0.0000000000
|
|
4262 1549 TIP3 H1 28.5471164006 40.2291746594 6.5920141636 SOLV 1348 0.0000000000
|
|
4263 1549 TIP3 H2 29.7326261073 39.7964578411 5.7429682363 SOLV 1348 0.0000000000
|
|
4264 1550 TIP3 OH2 24.9434371565 41.0237399539 2.9793058143 SOLV 1349 0.0000000000
|
|
4265 1550 TIP3 H1 24.6820454957 41.6165409699 3.7091562832 SOLV 1349 0.0000000000
|
|
4266 1550 TIP3 H2 25.8652593809 40.8102800326 3.2510750281 SOLV 1349 0.0000000000
|
|
4267 1551 TIP3 OH2 34.6540025379 41.4056735056 15.2056385750 SOLV 1350 0.0000000000
|
|
4268 1551 TIP3 H1 33.6877684164 41.5790539561 15.1506104556 SOLV 1350 0.0000000000
|
|
4269 1551 TIP3 H2 34.8309127005 41.1694282293 14.2817423950 SOLV 1350 0.0000000000
|
|
4270 1552 TIP3 OH2 33.3696964189 45.2160804277 9.2723300209 SOLV 1351 0.0000000000
|
|
4271 1552 TIP3 H1 32.6238100516 44.6621953618 9.0032642070 SOLV 1351 0.0000000000
|
|
4272 1552 TIP3 H2 33.8260735411 44.6052277613 9.8964619586 SOLV 1351 0.0000000000
|
|
4273 1553 TIP3 OH2 21.5120057174 43.7648182604 0.8904177494 SOLV 1352 0.0000000000
|
|
4274 1553 TIP3 H1 21.5526722356 44.5956574643 1.4078272065 SOLV 1352 0.0000000000
|
|
4275 1553 TIP3 H2 20.7911197548 43.9664506188 0.2752198632 SOLV 1352 0.0000000000
|
|
4276 1554 TIP3 OH2 22.3166327352 38.5196087228 9.8606941451 SOLV 1353 0.0000000000
|
|
4277 1554 TIP3 H1 22.1439998546 38.4597955460 8.8931265320 SOLV 1353 0.0000000000
|
|
4278 1554 TIP3 H2 21.8992582690 37.6712129345 10.1356152641 SOLV 1353 0.0000000000
|
|
4279 1555 TIP3 OH2 20.4655899934 48.9342582139 17.6179560184 SOLV 1354 0.0000000000
|
|
4280 1555 TIP3 H1 20.4686562845 47.9602775095 17.5995569700 SOLV 1354 0.0000000000
|
|
4281 1555 TIP3 H2 19.7213060488 49.1661780053 17.0186852983 SOLV 1354 0.0000000000
|
|
4282 1556 TIP3 OH2 24.5715934066 48.3943577172 -0.3042632972 SOLV 1355 0.0000000000
|
|
4283 1556 TIP3 H1 24.9252040821 48.3755797727 0.6143458172 SOLV 1355 0.0000000000
|
|
4284 1556 TIP3 H2 24.6358860767 49.3669069100 -0.4792899689 SOLV 1355 0.0000000000
|
|
4285 1557 TIP3 OH2 26.1437455463 48.4253182180 17.5334717012 SOLV 1356 0.0000000000
|
|
4286 1557 TIP3 H1 25.3616566337 47.8621399342 17.4556333328 SOLV 1356 0.0000000000
|
|
4287 1557 TIP3 H2 26.8304591112 47.7343476303 17.4391896979 SOLV 1356 0.0000000000
|
|
4288 1558 TIP3 OH2 32.5366651018 49.1843958916 15.3155312108 SOLV 1357 0.0000000000
|
|
4289 1558 TIP3 H1 33.1954676877 49.8835768264 15.1698958189 SOLV 1357 0.0000000000
|
|
4290 1558 TIP3 H2 31.6831395656 49.6268989741 15.1795954970 SOLV 1357 0.0000000000
|
|
4291 1559 TIP3 OH2 21.2916412117 46.1742695022 17.9562503646 SOLV 1358 0.0000000000
|
|
4292 1559 TIP3 H1 22.2207351462 46.0331307631 17.7135671187 SOLV 1358 0.0000000000
|
|
4293 1559 TIP3 H2 21.3637418702 46.3425574859 18.9301496690 SOLV 1358 0.0000000000
|
|
4294 1560 TIP3 OH2 25.6006209174 47.6961185032 2.2954689969 SOLV 1359 0.0000000000
|
|
4295 1560 TIP3 H1 25.0454005762 47.3338271553 3.0019635220 SOLV 1359 0.0000000000
|
|
4296 1560 TIP3 H2 26.2301810783 46.9512655746 2.1610256126 SOLV 1359 0.0000000000
|
|
4297 1561 TIP3 OH2 25.2618841688 45.6175845466 15.0749421244 SOLV 1360 0.0000000000
|
|
4298 1561 TIP3 H1 24.4125559376 46.0465264070 14.8527076313 SOLV 1360 0.0000000000
|
|
4299 1561 TIP3 H2 25.8597718424 45.9577101151 14.3653782372 SOLV 1360 0.0000000000
|
|
4300 1562 TIP3 OH2 27.0620260405 45.6102394309 1.3092034885 SOLV 1361 0.0000000000
|
|
4301 1562 TIP3 H1 26.6956279030 45.7295907156 0.4156336920 SOLV 1361 0.0000000000
|
|
4302 1562 TIP3 H2 28.0133764290 45.3988343806 1.1456861175 SOLV 1361 0.0000000000
|
|
4303 1563 TIP3 OH2 30.1534159735 47.7481674103 17.9685201709 SOLV 1362 0.0000000000
|
|
4304 1563 TIP3 H1 30.8379228302 48.3522075366 18.3314973596 SOLV 1362 0.0000000000
|
|
4305 1563 TIP3 H2 29.7854172864 47.3701965276 18.7819393709 SOLV 1362 0.0000000000
|
|
4306 1564 TIP3 OH2 36.0423283967 47.6378044622 0.2348985207 SOLV 1363 0.0000000000
|
|
4307 1564 TIP3 H1 36.8474209915 47.5879849568 -0.3058512808 SOLV 1363 0.0000000000
|
|
4308 1564 TIP3 H2 35.9934749968 48.6151153573 0.3044379916 SOLV 1363 0.0000000000
|
|
4309 1565 TIP3 OH2 25.7380916246 42.9482992750 15.9209418525 SOLV 1364 0.0000000000
|
|
4310 1565 TIP3 H1 25.7980139715 42.2690733831 15.2116947802 SOLV 1364 0.0000000000
|
|
4311 1565 TIP3 H2 25.5630512740 43.7808731505 15.4340620767 SOLV 1364 0.0000000000
|
|
4312 1566 TIP3 OH2 26.0870238624 41.1178507995 13.5927934459 SOLV 1365 0.0000000000
|
|
4313 1566 TIP3 H1 26.6467849085 41.5843357124 12.9373903861 SOLV 1365 0.0000000000
|
|
4314 1566 TIP3 H2 25.2193936667 41.1551815532 13.1450337828 SOLV 1365 0.0000000000
|
|
4315 1567 TIP3 OH2 27.2994834131 46.6526989880 13.6082650055 SOLV 1366 0.0000000000
|
|
4316 1567 TIP3 H1 28.1864823068 47.0310095963 13.5938237020 SOLV 1366 0.0000000000
|
|
4317 1567 TIP3 H2 26.7585064313 47.3930193215 13.2877062436 SOLV 1366 0.0000000000
|
|
4318 1568 TIP3 OH2 33.1717452013 46.9906018914 16.8224018549 SOLV 1367 0.0000000000
|
|
4319 1568 TIP3 H1 32.8623080227 47.8432752959 16.4426433923 SOLV 1367 0.0000000000
|
|
4320 1568 TIP3 H2 34.1197742950 47.1604320827 16.9830365950 SOLV 1367 0.0000000000
|
|
4321 1569 TIP3 OH2 23.9118008229 43.4958164664 18.1985300596 SOLV 1368 0.0000000000
|
|
4322 1569 TIP3 H1 23.1686275538 42.8754679656 18.0369351784 SOLV 1368 0.0000000000
|
|
4323 1569 TIP3 H2 24.4258042220 43.4003578365 17.3754692311 SOLV 1368 0.0000000000
|
|
4324 1570 TIP3 OH2 26.5701942725 38.4544800187 14.2140159465 SOLV 1369 0.0000000000
|
|
4325 1570 TIP3 H1 26.3887267583 39.3964188825 14.0014057309 SOLV 1369 0.0000000000
|
|
4326 1570 TIP3 H2 25.9033154747 38.0142422831 13.6651115007 SOLV 1369 0.0000000000
|
|
4327 1571 TIP3 OH2 27.9870485659 42.7476408406 17.7751907098 SOLV 1370 0.0000000000
|
|
4328 1571 TIP3 H1 27.4951138095 42.2101069361 18.4129617949 SOLV 1370 0.0000000000
|
|
4329 1571 TIP3 H2 27.3188737604 42.7589635615 17.0576365147 SOLV 1370 0.0000000000
|
|
4330 1572 TIP3 OH2 30.6189262153 41.7351828205 17.1885739712 SOLV 1371 0.0000000000
|
|
4331 1572 TIP3 H1 29.6981072267 41.9517029588 17.4220858447 SOLV 1371 0.0000000000
|
|
4332 1572 TIP3 H2 30.8883214395 41.1543822161 17.9240951836 SOLV 1371 0.0000000000
|
|
4333 1573 TIP3 OH2 31.9675246432 40.5337299768 19.3678173988 SOLV 1372 0.0000000000
|
|
4334 1573 TIP3 H1 32.0130105359 39.5887666054 19.1327863104 SOLV 1372 0.0000000000
|
|
4335 1573 TIP3 H2 31.1835880266 40.5664404230 19.9757508965 SOLV 1372 0.0000000000
|
|
4336 1574 TIP3 OH2 22.0017631952 41.6101803772 18.1356820347 SOLV 1373 0.0000000000
|
|
4337 1574 TIP3 H1 21.9007773322 40.7761247357 17.6251957601 SOLV 1373 0.0000000000
|
|
4338 1574 TIP3 H2 21.8865391468 41.3209100046 19.0749962519 SOLV 1373 0.0000000000
|
|
4339 1575 TIP3 OH2 26.5040004608 37.7922700156 16.9804081818 SOLV 1374 0.0000000000
|
|
4340 1575 TIP3 H1 27.1409711863 37.0499261521 17.0050091786 SOLV 1374 0.0000000000
|
|
4341 1575 TIP3 H2 26.5108584043 37.9713661812 16.0217532364 SOLV 1374 0.0000000000
|
|
4342 1576 TIP3 OH2 27.4113165980 39.5995778125 18.9183602552 SOLV 1375 0.0000000000
|
|
4343 1576 TIP3 H1 27.1110723750 38.9778586918 18.2266178520 SOLV 1375 0.0000000000
|
|
4344 1576 TIP3 H2 26.6446782784 40.2130143384 18.9177091393 SOLV 1375 0.0000000000
|
|
4345 1577 TIP3 OH2 36.5794793127 48.5692715196 4.3528379282 SOLV 1376 0.0000000000
|
|
4346 1577 TIP3 H1 37.0754381292 49.3800320721 4.5103522974 SOLV 1376 0.0000000000
|
|
4347 1577 TIP3 H2 36.7592085858 48.0464691483 5.1558938164 SOLV 1376 0.0000000000
|
|
4348 1578 TIP3 OH2 37.3409441580 46.8421307145 6.5298085540 SOLV 1377 0.0000000000
|
|
4349 1578 TIP3 H1 36.5285306704 46.4177948290 6.9249483088 SOLV 1377 0.0000000000
|
|
4350 1578 TIP3 H2 37.9217493251 46.9285492961 7.3106331717 SOLV 1377 0.0000000000
|
|
4351 1579 TIP3 OH2 36.8231895374 49.6593648945 11.3724278353 SOLV 1378 0.0000000000
|
|
4352 1579 TIP3 H1 37.3282053329 49.0234069419 10.8196248993 SOLV 1378 0.0000000000
|
|
4353 1579 TIP3 H2 36.5705749174 50.3508753618 10.7398392542 SOLV 1378 0.0000000000
|
|
4354 1580 TIP3 OH2 37.3442153599 46.6859303716 2.5819740327 SOLV 1379 0.0000000000
|
|
4355 1580 TIP3 H1 36.7093544979 46.8022665056 1.8512995529 SOLV 1379 0.0000000000
|
|
4356 1580 TIP3 H2 37.0809451871 47.4384787988 3.1582729968 SOLV 1379 0.0000000000
|
|
4357 1581 TIP3 OH2 35.6942192665 44.0624860309 1.4636291840 SOLV 1380 0.0000000000
|
|
4358 1581 TIP3 H1 35.1910966340 44.6891103620 0.9215458095 SOLV 1380 0.0000000000
|
|
4359 1581 TIP3 H2 35.4530057105 43.2041911330 1.0573840490 SOLV 1380 0.0000000000
|
|
4360 1582 TIP3 OH2 35.1095472689 45.5853265628 7.2372471295 SOLV 1381 0.0000000000
|
|
4361 1582 TIP3 H1 35.1472829013 44.6841705599 6.8649753423 SOLV 1381 0.0000000000
|
|
4362 1582 TIP3 H2 34.6109080421 45.4536287642 8.0707695612 SOLV 1381 0.0000000000
|
|
4363 1583 TIP3 OH2 19.6567623699 47.4349170520 10.9238882362 SOLV 1382 0.0000000000
|
|
4364 1583 TIP3 H1 19.7277077256 47.1606675375 9.9865105678 SOLV 1382 0.0000000000
|
|
4365 1583 TIP3 H2 20.5312811901 47.1374877370 11.2867220830 SOLV 1382 0.0000000000
|
|
4366 1584 TIP3 OH2 35.9165844255 47.4130615086 17.0244205397 SOLV 1383 0.0000000000
|
|
4367 1584 TIP3 H1 36.4631226010 46.6042001252 16.9169531305 SOLV 1383 0.0000000000
|
|
4368 1584 TIP3 H2 36.4772493130 48.0800532555 16.5594546312 SOLV 1383 0.0000000000
|
|
4369 1585 TIP3 OH2 37.1737343199 44.9500714362 16.6730891004 SOLV 1384 0.0000000000
|
|
4370 1585 TIP3 H1 36.3242793866 44.5755096500 16.3899144599 SOLV 1384 0.0000000000
|
|
4371 1585 TIP3 H2 37.6341085379 44.1565171887 17.0373806743 SOLV 1384 0.0000000000
|
|
4372 1586 TIP3 OH2 34.5954149791 41.8082460704 0.4032217688 SOLV 1385 0.0000000000
|
|
4373 1586 TIP3 H1 35.0783453431 41.1200769780 0.8831380810 SOLV 1385 0.0000000000
|
|
4374 1586 TIP3 H2 33.6640079723 41.5981377028 0.6049356502 SOLV 1385 0.0000000000
|
|
4375 1587 TIP3 OH2 34.7309151811 43.2072980900 5.3719576062 SOLV 1386 0.0000000000
|
|
4376 1587 TIP3 H1 34.9666699665 42.2569532722 5.3284720097 SOLV 1386 0.0000000000
|
|
4377 1587 TIP3 H2 35.4367806583 43.5838718112 4.8189033817 SOLV 1386 0.0000000000
|
|
4378 1588 TIP3 OH2 35.0269836507 43.4402903566 10.9040222202 SOLV 1387 0.0000000000
|
|
4379 1588 TIP3 H1 35.9796407941 43.4354525706 10.6363841640 SOLV 1387 0.0000000000
|
|
4380 1588 TIP3 H2 35.1467684227 43.4898907307 11.8604344274 SOLV 1387 0.0000000000
|
|
4381 1589 TIP3 OH2 35.3730510538 44.1963695073 13.6104090153 SOLV 1388 0.0000000000
|
|
4382 1589 TIP3 H1 34.4661260168 44.4432485744 13.8578804948 SOLV 1388 0.0000000000
|
|
4383 1589 TIP3 H2 35.7908929633 45.0704154864 13.3947344919 SOLV 1388 0.0000000000
|
|
4384 1590 TIP3 OH2 19.7307343772 42.7426765016 17.1706659831 SOLV 1389 0.0000000000
|
|
4385 1590 TIP3 H1 20.6004696392 42.4000525274 17.4719208752 SOLV 1389 0.0000000000
|
|
4386 1590 TIP3 H2 19.2305624652 41.9078322784 17.1266669028 SOLV 1389 0.0000000000
|
|
4387 1591 TIP3 OH2 37.4220798864 38.8296439681 18.6391797807 SOLV 1390 0.0000000000
|
|
4388 1591 TIP3 H1 38.0700178753 38.1786800390 18.3211264656 SOLV 1390 0.0000000000
|
|
4389 1591 TIP3 H2 37.4160652592 39.4640879883 17.8822027163 SOLV 1390 0.0000000000
|
|
4390 1592 TIP3 OH2 35.3402423287 40.5036960705 5.3146838747 SOLV 1391 0.0000000000
|
|
4391 1592 TIP3 H1 35.4925925371 40.1635025774 6.2166210491 SOLV 1391 0.0000000000
|
|
4392 1592 TIP3 H2 34.7133041045 39.8345810668 4.9552490444 SOLV 1391 0.0000000000
|
|
4393 1593 TIP3 OH2 20.7947278848 40.9552811260 10.0820723452 SOLV 1392 0.0000000000
|
|
4394 1593 TIP3 H1 21.2595628949 40.0905529157 10.0844402896 SOLV 1392 0.0000000000
|
|
4395 1593 TIP3 H2 21.5272976823 41.5600796645 9.9837494417 SOLV 1392 0.0000000000
|
|
4396 1594 TIP3 OH2 18.9474705852 43.9914129689 10.7222600126 SOLV 1393 0.0000000000
|
|
4397 1594 TIP3 H1 19.6277170783 43.7736300630 10.0545743241 SOLV 1393 0.0000000000
|
|
4398 1594 TIP3 H2 19.2330010996 44.8703768787 11.0218264477 SOLV 1393 0.0000000000
|
|
4399 1595 TIP3 OH2 37.0051785398 40.2992972943 16.2817269376 SOLV 1394 0.0000000000
|
|
4400 1595 TIP3 H1 36.1608563932 40.7443242896 16.0435179484 SOLV 1394 0.0000000000
|
|
4401 1595 TIP3 H2 36.8356259508 39.4436837733 15.8362617818 SOLV 1394 0.0000000000
|
|
4402 1596 TIP3 OH2 36.5655584793 40.3774158046 1.7932756291 SOLV 1395 0.0000000000
|
|
4403 1596 TIP3 H1 36.8585807542 40.4930390635 0.8539359335 SOLV 1395 0.0000000000
|
|
4404 1596 TIP3 H2 37.2791843498 40.8528121192 2.2472181109 SOLV 1395 0.0000000000
|
|
4405 1597 TIP3 OH2 19.3382112986 40.1952806751 4.9901979200 SOLV 1396 0.0000000000
|
|
4406 1597 TIP3 H1 18.3757383241 40.2145204370 5.0635735067 SOLV 1396 0.0000000000
|
|
4407 1597 TIP3 H2 19.4961069621 40.8550072463 4.2968364463 SOLV 1396 0.0000000000
|
|
4408 1598 TIP3 OH2 19.4093646123 38.8839349545 13.1879577972 SOLV 1397 0.0000000000
|
|
4409 1598 TIP3 H1 18.6772351488 38.6604900458 13.7955886531 SOLV 1397 0.0000000000
|
|
4410 1598 TIP3 H2 19.0521778082 39.6065538902 12.6564465472 SOLV 1397 0.0000000000
|
|
4411 1599 TIP3 OH2 36.0845722835 38.0788334834 15.1106009605 SOLV 1398 0.0000000000
|
|
4412 1599 TIP3 H1 35.3161285280 38.1157661611 14.5232654035 SOLV 1398 0.0000000000
|
|
4413 1599 TIP3 H2 36.4456042889 37.1965757869 14.8224947064 SOLV 1398 0.0000000000
|
|
4414 1600 TIP3 OH2 29.3995341866 39.7556642267 9.3741010102 SOLV 1399 0.0000000000
|
|
4415 1600 TIP3 H1 28.9090628177 38.9364230588 9.5306943968 SOLV 1399 0.0000000000
|
|
4416 1600 TIP3 H2 30.1245510589 39.4480416373 8.8031656410 SOLV 1399 0.0000000000
|
|
4417 1601 TIP3 OH2 34.4044959345 38.3169968597 9.3553528388 SOLV 1400 0.0000000000
|
|
4418 1601 TIP3 H1 34.9708784764 38.8217820997 8.7279296959 SOLV 1400 0.0000000000
|
|
4419 1601 TIP3 H2 33.5165529686 38.5938876522 9.0926858688 SOLV 1400 0.0000000000
|
|
4420 1602 TIP3 OH2 36.2700168790 39.1160716906 7.5836613403 SOLV 1401 0.0000000000
|
|
4421 1602 TIP3 H1 36.8636966725 38.4806839038 7.1285746748 SOLV 1401 0.0000000000
|
|
4422 1602 TIP3 H2 36.9324900112 39.7921619225 7.8879430190 SOLV 1401 0.0000000000
|
|
4423 1603 TIP3 OH2 21.7817386200 38.2255801426 7.2326676224 SOLV 1402 0.0000000000
|
|
4424 1603 TIP3 H1 20.8855284792 38.0649110971 6.8486011904 SOLV 1402 0.0000000000
|
|
4425 1603 TIP3 H2 22.2209185233 37.3757999241 7.0227182400 SOLV 1402 0.0000000000
|
|
4426 1604 TIP3 OH2 20.5822763327 38.2882755749 3.1903020019 SOLV 1403 0.0000000000
|
|
4427 1604 TIP3 H1 21.3294268373 38.8105858080 2.8055420579 SOLV 1403 0.0000000000
|
|
4428 1604 TIP3 H2 20.2102563830 38.8994499362 3.8643060672 SOLV 1403 0.0000000000
|
|
4429 1605 TIP3 OH2 26.2736871852 37.8751079275 7.2507300733 SOLV 1404 0.0000000000
|
|
4430 1605 TIP3 H1 26.9989601129 38.2564578069 6.7460691303 SOLV 1404 0.0000000000
|
|
4431 1605 TIP3 H2 26.6321553590 37.9040506100 8.1584676939 SOLV 1404 0.0000000000
|
|
4432 1606 TIP3 OH2 31.6603598743 38.5338174184 8.1759351787 SOLV 1405 0.0000000000
|
|
4433 1606 TIP3 H1 31.7575230413 38.0943681399 7.3216553804 SOLV 1405 0.0000000000
|
|
4434 1606 TIP3 H2 31.4380347202 37.7585537556 8.7532273610 SOLV 1405 0.0000000000
|
|
4435 1607 TIP3 OH2 33.2756550050 38.8543751628 4.5163139454 SOLV 1406 0.0000000000
|
|
4436 1607 TIP3 H1 32.4743134491 39.3901774113 4.7303552440 SOLV 1406 0.0000000000
|
|
4437 1607 TIP3 H2 32.9695714557 37.9407272344 4.7173112657 SOLV 1406 0.0000000000
|
|
4438 1608 TIP3 OH2 22.6704484508 39.4470975966 1.9519378385 SOLV 1407 0.0000000000
|
|
4439 1608 TIP3 H1 22.8579390935 39.8125034881 1.0785580040 SOLV 1407 0.0000000000
|
|
4440 1608 TIP3 H2 23.3953908244 39.8361224796 2.4540019171 SOLV 1407 0.0000000000
|
|
4441 1609 TIP3 OH2 27.6239517744 40.7073401725 3.7157451438 SOLV 1408 0.0000000000
|
|
4442 1609 TIP3 H1 28.1171800123 40.0834400070 4.2815998664 SOLV 1408 0.0000000000
|
|
4443 1609 TIP3 H2 27.7344115002 41.5288178774 4.2403627700 SOLV 1408 0.0000000000
|
|
4444 1610 TIP3 OH2 21.8275446697 39.1885495292 16.6817060210 SOLV 1409 0.0000000000
|
|
4445 1610 TIP3 H1 21.3206077051 38.3589660430 16.7793779835 SOLV 1409 0.0000000000
|
|
4446 1610 TIP3 H2 22.6764235570 38.9575736762 17.1112810876 SOLV 1409 0.0000000000
|
|
4447 1611 TIP3 OH2 23.7853642164 38.5498652274 18.5795226759 SOLV 1410 0.0000000000
|
|
4448 1611 TIP3 H1 24.6782783142 38.3386711601 18.2446348893 SOLV 1410 0.0000000000
|
|
4449 1611 TIP3 H2 23.4596495598 37.6464681531 18.7541558343 SOLV 1410 0.0000000000
|
|
4450 1612 TIP3 OH2 32.3142520066 37.9657744571 18.4613850056 SOLV 1411 0.0000000000
|
|
4451 1612 TIP3 H1 32.2643882840 37.4708218917 19.3053298204 SOLV 1411 0.0000000000
|
|
4452 1612 TIP3 H2 33.2206339373 37.7229481901 18.1681479381 SOLV 1411 0.0000000000
|
|
4453 1613 TIP3 OH2 50.1411742591 47.2044592296 6.6586574432 SOLV 1412 0.0000000000
|
|
4454 1613 TIP3 H1 49.6671135089 47.7478152223 7.2904718440 SOLV 1412 0.0000000000
|
|
4455 1613 TIP3 H2 49.5643562101 47.2605759897 5.8644208065 SOLV 1412 0.0000000000
|
|
4456 1614 TIP3 OH2 47.9853063469 46.9290097926 10.5277398105 SOLV 1413 0.0000000000
|
|
4457 1614 TIP3 H1 48.9413533387 46.8406824331 10.6385277850 SOLV 1413 0.0000000000
|
|
4458 1614 TIP3 H2 47.6954231877 46.0271205556 10.3496939912 SOLV 1413 0.0000000000
|
|
4459 1615 TIP3 OH2 40.6173304981 46.2982307394 12.0508029298 SOLV 1414 0.0000000000
|
|
4460 1615 TIP3 H1 40.6901568881 45.5417749178 12.6609529236 SOLV 1414 0.0000000000
|
|
4461 1615 TIP3 H2 41.5480898661 46.5604917595 11.9747258622 SOLV 1414 0.0000000000
|
|
4462 1616 TIP3 OH2 38.6560321527 44.3272890943 5.8024526905 SOLV 1415 0.0000000000
|
|
4463 1616 TIP3 H1 38.5891082744 45.2872983512 5.8896420996 SOLV 1415 0.0000000000
|
|
4464 1616 TIP3 H2 38.0603260539 44.1691629489 5.0620410691 SOLV 1415 0.0000000000
|
|
4465 1617 TIP3 OH2 39.3618413344 46.8398555834 8.5460175382 SOLV 1416 0.0000000000
|
|
4466 1617 TIP3 H1 39.6217853186 45.8964948674 8.6694522567 SOLV 1416 0.0000000000
|
|
4467 1617 TIP3 H2 40.1998669805 47.3107371770 8.7518009950 SOLV 1416 0.0000000000
|
|
4468 1618 TIP3 OH2 46.8865821207 49.1926064675 11.2785240227 SOLV 1417 0.0000000000
|
|
4469 1618 TIP3 H1 47.0516323102 48.3115027783 10.8533967277 SOLV 1417 0.0000000000
|
|
4470 1618 TIP3 H2 47.7510869201 49.2770654753 11.7594140354 SOLV 1417 0.0000000000
|
|
4471 1619 TIP3 OH2 43.4824865770 41.6809692118 8.2239181545 SOLV 1418 0.0000000000
|
|
4472 1619 TIP3 H1 43.5968827400 42.4519171126 7.6340073718 SOLV 1418 0.0000000000
|
|
4473 1619 TIP3 H2 42.9287756666 41.1016378074 7.6563045923 SOLV 1418 0.0000000000
|
|
4474 1620 TIP3 OH2 40.0405592907 44.2828981467 9.2339605009 SOLV 1419 0.0000000000
|
|
4475 1620 TIP3 H1 40.6802123499 43.9001604451 9.8559486951 SOLV 1419 0.0000000000
|
|
4476 1620 TIP3 H2 40.2297809001 43.8078546187 8.3947242633 SOLV 1419 0.0000000000
|
|
4477 1621 TIP3 OH2 44.7759991491 45.8738241165 8.7189769697 SOLV 1420 0.0000000000
|
|
4478 1621 TIP3 H1 45.5896818251 45.4020956627 9.0091212732 SOLV 1420 0.0000000000
|
|
4479 1621 TIP3 H2 44.3250484380 45.1302214377 8.2618960068 SOLV 1420 0.0000000000
|
|
4480 1622 TIP3 OH2 42.3164628061 40.8784522896 12.6269568408 SOLV 1421 0.0000000000
|
|
4481 1622 TIP3 H1 41.9969944171 41.3017730723 11.8054201835 SOLV 1421 0.0000000000
|
|
4482 1622 TIP3 H2 41.5439636613 41.0676788228 13.2095144919 SOLV 1421 0.0000000000
|
|
4483 1623 TIP3 OH2 44.3614255181 48.5944920139 11.9572638630 SOLV 1422 0.0000000000
|
|
4484 1623 TIP3 H1 43.8918112255 49.4518942639 11.8775802494 SOLV 1422 0.0000000000
|
|
4485 1623 TIP3 H2 45.2599160915 48.8560396967 11.6551099105 SOLV 1422 0.0000000000
|
|
4486 1624 TIP3 OH2 42.1062506574 42.6003981196 10.4090113525 SOLV 1423 0.0000000000
|
|
4487 1624 TIP3 H1 42.6984536421 43.1889122488 10.9331279922 SOLV 1423 0.0000000000
|
|
4488 1624 TIP3 H2 42.6686247169 42.3745369037 9.6293995243 SOLV 1423 0.0000000000
|
|
4489 1625 TIP3 OH2 45.7350528999 37.8559149348 10.0758889654 SOLV 1424 0.0000000000
|
|
4490 1625 TIP3 H1 45.4080452632 36.9312511256 10.0478260712 SOLV 1424 0.0000000000
|
|
4491 1625 TIP3 H2 44.8867176868 38.2946640983 10.2810893726 SOLV 1424 0.0000000000
|
|
4492 1626 TIP3 OH2 48.6249912780 47.2522601286 4.3112796376 SOLV 1425 0.0000000000
|
|
4493 1626 TIP3 H1 47.8047375112 47.7866325846 4.1692748809 SOLV 1425 0.0000000000
|
|
4494 1626 TIP3 H2 49.1021633038 47.4979087421 3.5180779158 SOLV 1425 0.0000000000
|
|
4495 1627 TIP3 OH2 48.4971775127 45.4574807109 1.1503072696 SOLV 1426 0.0000000000
|
|
4496 1627 TIP3 H1 48.7526074202 44.9451111265 1.9151459821 SOLV 1426 0.0000000000
|
|
4497 1627 TIP3 H2 49.0468017637 45.0561755170 0.4410276769 SOLV 1426 0.0000000000
|
|
4498 1628 TIP3 OH2 43.3038990432 47.5794325946 7.2868065872 SOLV 1427 0.0000000000
|
|
4499 1628 TIP3 H1 42.9276774357 47.1818245109 6.4586886417 SOLV 1427 0.0000000000
|
|
4500 1628 TIP3 H2 43.9132640006 46.8908842013 7.6177154702 SOLV 1427 0.0000000000
|
|
4501 1629 TIP3 OH2 43.3198831977 46.4180136312 10.9068967861 SOLV 1428 0.0000000000
|
|
4502 1629 TIP3 H1 43.8421724671 46.2954137652 10.0755359206 SOLV 1428 0.0000000000
|
|
4503 1629 TIP3 H2 43.8605542348 47.1360705327 11.3331235244 SOLV 1428 0.0000000000
|
|
4504 1630 TIP3 OH2 41.8129872445 46.4147781810 15.0471292015 SOLV 1429 0.0000000000
|
|
4505 1630 TIP3 H1 41.9730322954 47.2686765439 15.5135347288 SOLV 1429 0.0000000000
|
|
4506 1630 TIP3 H2 40.8574636520 46.3479677006 15.1831508532 SOLV 1429 0.0000000000
|
|
4507 1631 TIP3 OH2 42.2373584058 46.6932173893 5.0129999499 SOLV 1430 0.0000000000
|
|
4508 1631 TIP3 H1 41.9062683360 47.4171635314 4.4539061155 SOLV 1430 0.0000000000
|
|
4509 1631 TIP3 H2 42.0595169615 45.9380301282 4.4471842597 SOLV 1430 0.0000000000
|
|
4510 1632 TIP3 OH2 38.4390540046 49.1983899779 13.6541361218 SOLV 1431 0.0000000000
|
|
4511 1632 TIP3 H1 37.9550865131 49.1071744435 12.8120983829 SOLV 1431 0.0000000000
|
|
4512 1632 TIP3 H2 39.0009997281 48.4136557232 13.6318866887 SOLV 1431 0.0000000000
|
|
4513 1633 TIP3 OH2 43.4476099804 39.0986233659 10.8563820156 SOLV 1432 0.0000000000
|
|
4514 1633 TIP3 H1 42.6124146288 39.0285166505 10.3436215119 SOLV 1432 0.0000000000
|
|
4515 1633 TIP3 H2 43.1702614094 39.7477519510 11.5381056347 SOLV 1432 0.0000000000
|
|
4516 1634 TIP3 OH2 48.1455603212 38.5587785737 14.0456621590 SOLV 1433 0.0000000000
|
|
4517 1634 TIP3 H1 48.4949759456 38.0173725168 14.7960877990 SOLV 1433 0.0000000000
|
|
4518 1634 TIP3 H2 47.1706475270 38.4368444042 14.1111078583 SOLV 1433 0.0000000000
|
|
4519 1635 TIP3 OH2 47.3752400878 41.5144393581 1.4895695183 SOLV 1434 0.0000000000
|
|
4520 1635 TIP3 H1 46.8312521130 41.1859986021 2.2327763532 SOLV 1434 0.0000000000
|
|
4521 1635 TIP3 H2 48.0945392530 40.8648997622 1.4763321303 SOLV 1434 0.0000000000
|
|
4522 1636 TIP3 OH2 43.5562432512 44.0459987981 12.1243464033 SOLV 1435 0.0000000000
|
|
4523 1636 TIP3 H1 42.7749189282 43.9741259461 12.7343285070 SOLV 1435 0.0000000000
|
|
4524 1636 TIP3 H2 43.3624777053 44.8817581243 11.6567694778 SOLV 1435 0.0000000000
|
|
4525 1637 TIP3 OH2 43.3086909120 44.2050801753 7.1401914475 SOLV 1436 0.0000000000
|
|
4526 1637 TIP3 H1 42.3396967418 44.1173538004 7.1753754967 SOLV 1436 0.0000000000
|
|
4527 1637 TIP3 H2 43.4734057058 44.1707345424 6.1829193993 SOLV 1436 0.0000000000
|
|
4528 1638 TIP3 OH2 48.3350847248 44.4625047039 5.0809750029 SOLV 1437 0.0000000000
|
|
4529 1638 TIP3 H1 48.2022924238 45.3206548604 4.6364065097 SOLV 1437 0.0000000000
|
|
4530 1638 TIP3 H2 49.2827090439 44.5295791713 5.2930135549 SOLV 1437 0.0000000000
|
|
4531 1639 TIP3 OH2 48.4102872426 44.4453585395 16.6938360867 SOLV 1438 0.0000000000
|
|
4532 1639 TIP3 H1 47.9608097186 43.7524962920 17.2164572022 SOLV 1438 0.0000000000
|
|
4533 1639 TIP3 H2 49.3218366030 44.3835079633 17.0234583709 SOLV 1438 0.0000000000
|
|
4534 1640 TIP3 OH2 41.3726791335 44.0372084037 13.5658976702 SOLV 1439 0.0000000000
|
|
4535 1640 TIP3 H1 41.4308093748 44.5803197150 14.3677060342 SOLV 1439 0.0000000000
|
|
4536 1640 TIP3 H2 40.8086751016 43.2783776753 13.8555002671 SOLV 1439 0.0000000000
|
|
4537 1641 TIP3 OH2 43.6861885829 41.3335737405 0.1731206849 SOLV 1440 0.0000000000
|
|
4538 1641 TIP3 H1 43.6484734078 41.2409233334 1.1498849114 SOLV 1440 0.0000000000
|
|
4539 1641 TIP3 H2 43.3791943608 42.2408303897 0.0486274015 SOLV 1440 0.0000000000
|
|
4540 1642 TIP3 OH2 38.0786596222 41.0605976017 7.9492780825 SOLV 1441 0.0000000000
|
|
4541 1642 TIP3 H1 38.7245322150 41.4100235741 8.5694908763 SOLV 1441 0.0000000000
|
|
4542 1642 TIP3 H2 38.3627010445 41.4377660826 7.0989576789 SOLV 1441 0.0000000000
|
|
4543 1643 TIP3 OH2 38.4818127123 42.1231694553 2.8971699572 SOLV 1442 0.0000000000
|
|
4544 1643 TIP3 H1 39.1831960513 42.5098961519 2.3306440695 SOLV 1442 0.0000000000
|
|
4545 1643 TIP3 H2 38.0932457561 42.9394646286 3.2659729783 SOLV 1442 0.0000000000
|
|
4546 1644 TIP3 OH2 49.1318624329 45.6940617770 13.4807144081 SOLV 1443 0.0000000000
|
|
4547 1644 TIP3 H1 49.6007811630 45.2547022817 12.7530652792 SOLV 1443 0.0000000000
|
|
4548 1644 TIP3 H2 48.5427496353 44.9679442833 13.7511418639 SOLV 1443 0.0000000000
|
|
4549 1645 TIP3 OH2 46.2525240626 41.7709331028 8.0025615960 SOLV 1444 0.0000000000
|
|
4550 1645 TIP3 H1 45.3592605949 41.6785560427 8.3580242730 SOLV 1444 0.0000000000
|
|
4551 1645 TIP3 H2 46.7298772671 41.0525995386 8.4588527036 SOLV 1444 0.0000000000
|
|
4552 1646 TIP3 OH2 40.6899118851 43.1596241278 6.9327182075 SOLV 1445 0.0000000000
|
|
4553 1646 TIP3 H1 40.0611500912 43.6003092011 6.3064670084 SOLV 1445 0.0000000000
|
|
4554 1646 TIP3 H2 41.0494046227 42.4104379532 6.4272864606 SOLV 1445 0.0000000000
|
|
4555 1647 TIP3 OH2 43.7530313127 43.1526183621 4.5933881171 SOLV 1446 0.0000000000
|
|
4556 1647 TIP3 H1 44.7011181500 43.0074043484 4.8270688350 SOLV 1446 0.0000000000
|
|
4557 1647 TIP3 H2 43.8133897132 43.9246153265 3.9952788449 SOLV 1446 0.0000000000
|
|
4558 1648 TIP3 OH2 43.2414745367 45.1368954413 2.7029742419 SOLV 1447 0.0000000000
|
|
4559 1648 TIP3 H1 42.8167315588 44.5224008775 2.0930264785 SOLV 1447 0.0000000000
|
|
4560 1648 TIP3 H2 44.1127855640 45.2590322440 2.2668858959 SOLV 1447 0.0000000000
|
|
4561 1649 TIP3 OH2 41.7999760857 48.6296920495 17.0572909211 SOLV 1448 0.0000000000
|
|
4562 1649 TIP3 H1 42.2598855498 49.3997292294 17.4276451952 SOLV 1448 0.0000000000
|
|
4563 1649 TIP3 H2 40.8783530965 48.8107195908 17.3546604878 SOLV 1448 0.0000000000
|
|
4564 1650 TIP3 OH2 46.7962898226 44.3818622227 9.7273031491 SOLV 1449 0.0000000000
|
|
4565 1650 TIP3 H1 47.4680639089 43.7213727411 9.4717921402 SOLV 1449 0.0000000000
|
|
4566 1650 TIP3 H2 46.4470929894 43.9655359454 10.5426923349 SOLV 1449 0.0000000000
|
|
4567 1651 TIP3 OH2 41.8223439820 40.6309999532 6.4017660029 SOLV 1450 0.0000000000
|
|
4568 1651 TIP3 H1 41.3487715200 39.8291484343 6.7104486108 SOLV 1450 0.0000000000
|
|
4569 1651 TIP3 H2 42.1961822407 40.3239149466 5.5722354083 SOLV 1450 0.0000000000
|
|
4570 1652 TIP3 OH2 45.9488984130 42.9333238301 12.0962763710 SOLV 1451 0.0000000000
|
|
4571 1652 TIP3 H1 45.1103293210 43.4434434201 12.1774791220 SOLV 1451 0.0000000000
|
|
4572 1652 TIP3 H2 46.4552168414 43.3135601828 12.8431831018 SOLV 1451 0.0000000000
|
|
4573 1653 TIP3 OH2 46.5466293873 48.7836142309 3.7766703408 SOLV 1452 0.0000000000
|
|
4574 1653 TIP3 H1 45.8243323853 48.7353433904 3.1318735765 SOLV 1452 0.0000000000
|
|
4575 1653 TIP3 H2 46.0810747898 49.1599401511 4.5533179204 SOLV 1452 0.0000000000
|
|
4576 1654 TIP3 OH2 48.6964305263 49.2986458628 15.8745950629 SOLV 1453 0.0000000000
|
|
4577 1654 TIP3 H1 48.7731083462 48.4628731753 16.3784261136 SOLV 1453 0.0000000000
|
|
4578 1654 TIP3 H2 47.9220116553 49.7054711017 16.3067341249 SOLV 1453 0.0000000000
|
|
4579 1655 TIP3 OH2 41.6170538732 48.1812071702 9.3236406057 SOLV 1454 0.0000000000
|
|
4580 1655 TIP3 H1 42.2798895314 47.9677779739 8.6238177704 SOLV 1454 0.0000000000
|
|
4581 1655 TIP3 H2 41.9161669137 47.6098242310 10.0545080479 SOLV 1454 0.0000000000
|
|
4582 1656 TIP3 OH2 38.7973480930 46.1531107049 14.7815509762 SOLV 1455 0.0000000000
|
|
4583 1656 TIP3 H1 38.3721530184 45.7521633392 15.5842159598 SOLV 1455 0.0000000000
|
|
4584 1656 TIP3 H2 38.0521964606 46.2223804209 14.1661470989 SOLV 1455 0.0000000000
|
|
4585 1657 TIP3 OH2 45.9530484880 45.9659771720 17.0596647979 SOLV 1456 0.0000000000
|
|
4586 1657 TIP3 H1 45.3632094693 45.6884671918 16.3159581551 SOLV 1456 0.0000000000
|
|
4587 1657 TIP3 H2 46.7669777600 45.4791601926 16.8284115071 SOLV 1456 0.0000000000
|
|
4588 1658 TIP3 OH2 39.9257704790 46.4644793056 1.8148601396 SOLV 1457 0.0000000000
|
|
4589 1658 TIP3 H1 40.3680188783 47.0482913748 2.4609125529 SOLV 1457 0.0000000000
|
|
4590 1658 TIP3 H2 38.9801515956 46.6449421686 2.0186165822 SOLV 1457 0.0000000000
|
|
4591 1659 TIP3 OH2 45.1347215954 49.1871952489 6.0648320315 SOLV 1458 0.0000000000
|
|
4592 1659 TIP3 H1 45.0231869651 50.0732190728 6.4737832432 SOLV 1458 0.0000000000
|
|
4593 1659 TIP3 H2 44.6525527308 48.5968437465 6.6715604833 SOLV 1458 0.0000000000
|
|
4594 1660 TIP3 OH2 49.3189733961 49.1146214311 12.4126811570 SOLV 1459 0.0000000000
|
|
4595 1660 TIP3 H1 49.4396772317 48.7117213411 13.2852695760 SOLV 1459 0.0000000000
|
|
4596 1660 TIP3 H2 49.8035770765 48.4986519774 11.8249331740 SOLV 1459 0.0000000000
|
|
4597 1661 TIP3 OH2 40.0622652801 41.6723120681 14.0571928722 SOLV 1460 0.0000000000
|
|
4598 1661 TIP3 H1 39.1149834791 41.8845930785 13.9675119896 SOLV 1460 0.0000000000
|
|
4599 1661 TIP3 H2 40.0966001832 41.2371987294 14.9305901839 SOLV 1460 0.0000000000
|
|
4600 1662 TIP3 OH2 41.2040787019 48.4587128810 3.1704220874 SOLV 1461 0.0000000000
|
|
4601 1662 TIP3 H1 40.4873708843 49.1298346663 3.3342475793 SOLV 1461 0.0000000000
|
|
4602 1662 TIP3 H2 41.8742361256 49.0118450464 2.7305375357 SOLV 1461 0.0000000000
|
|
4603 1663 TIP3 OH2 48.5972188732 41.2882055560 14.3916403632 SOLV 1462 0.0000000000
|
|
4604 1663 TIP3 H1 48.8752702080 41.2062611736 15.3222251422 SOLV 1462 0.0000000000
|
|
4605 1663 TIP3 H2 48.4465312003 40.3529914626 14.1636934013 SOLV 1462 0.0000000000
|
|
4606 1664 TIP3 OH2 49.0283449615 41.4896356035 4.8186213694 SOLV 1463 0.0000000000
|
|
4607 1664 TIP3 H1 49.6581953314 41.8598910294 4.1891261079 SOLV 1463 0.0000000000
|
|
4608 1664 TIP3 H2 49.2461398994 42.0086178648 5.6061870624 SOLV 1463 0.0000000000
|
|
4609 1665 TIP3 OH2 46.2180937328 42.6653441628 5.4487272177 SOLV 1464 0.0000000000
|
|
4610 1665 TIP3 H1 46.9717313946 43.2913310111 5.3968514041 SOLV 1464 0.0000000000
|
|
4611 1665 TIP3 H2 46.1891622040 42.4659806291 6.4152772066 SOLV 1464 0.0000000000
|
|
4612 1666 TIP3 OH2 47.3904742497 43.7444786468 14.2494540285 SOLV 1465 0.0000000000
|
|
4613 1666 TIP3 H1 47.6096880681 44.0137340048 15.1653016687 SOLV 1465 0.0000000000
|
|
4614 1666 TIP3 H2 47.9014115227 42.8986154901 14.1735440997 SOLV 1465 0.0000000000
|
|
4615 1667 TIP3 OH2 47.4338191950 39.3678078294 6.1498693267 SOLV 1466 0.0000000000
|
|
4616 1667 TIP3 H1 47.5196091622 39.5865666545 7.0976895335 SOLV 1466 0.0000000000
|
|
4617 1667 TIP3 H2 48.0341599975 40.0435498103 5.7573559605 SOLV 1466 0.0000000000
|
|
4618 1668 TIP3 OH2 43.7147498190 40.9662405201 2.8729794837 SOLV 1467 0.0000000000
|
|
4619 1668 TIP3 H1 43.4858314997 41.6164657778 3.5658404762 SOLV 1467 0.0000000000
|
|
4620 1668 TIP3 H2 44.6361658077 40.7606732780 3.1606339263 SOLV 1467 0.0000000000
|
|
4621 1669 TIP3 OH2 40.1996997327 43.7537784299 1.2088595717 SOLV 1468 0.0000000000
|
|
4622 1669 TIP3 H1 40.2999112396 44.6537235769 1.5726091039 SOLV 1468 0.0000000000
|
|
4623 1669 TIP3 H2 39.5788678111 43.9116895974 0.4909762813 SOLV 1468 0.0000000000
|
|
4624 1670 TIP3 OH2 41.0277069092 38.5844266855 9.8300750474 SOLV 1469 0.0000000000
|
|
4625 1670 TIP3 H1 40.8724974100 38.4972927468 8.8618458275 SOLV 1469 0.0000000000
|
|
4626 1670 TIP3 H2 40.7009863457 37.7068719020 10.1295437703 SOLV 1469 0.0000000000
|
|
4627 1671 TIP3 OH2 39.2377206474 48.8515353806 17.6702898384 SOLV 1470 0.0000000000
|
|
4628 1671 TIP3 H1 39.1348088443 47.8942794582 17.8134560634 SOLV 1470 0.0000000000
|
|
4629 1671 TIP3 H2 38.4842361595 49.0521551187 17.0796282654 SOLV 1470 0.0000000000
|
|
4630 1672 TIP3 OH2 43.5383380039 48.4911465373 -0.3195252701 SOLV 1471 0.0000000000
|
|
4631 1672 TIP3 H1 43.7914156781 48.4672944685 0.6297174898 SOLV 1471 0.0000000000
|
|
4632 1672 TIP3 H2 43.6268740602 49.4612613474 -0.4941493296 SOLV 1471 0.0000000000
|
|
4633 1673 TIP3 OH2 44.8126179974 48.3551957585 17.3922890487 SOLV 1472 0.0000000000
|
|
4634 1673 TIP3 H1 44.1199981748 47.6952875164 17.2741231114 SOLV 1472 0.0000000000
|
|
4635 1673 TIP3 H2 45.5803973906 47.7476583407 17.3683460245 SOLV 1472 0.0000000000
|
|
4636 1674 TIP3 OH2 40.0472213045 46.1747340919 18.0136820658 SOLV 1473 0.0000000000
|
|
4637 1674 TIP3 H1 40.9020000687 46.4997002484 17.6974820656 SOLV 1473 0.0000000000
|
|
4638 1674 TIP3 H2 40.0907443229 46.4135247742 18.9815014529 SOLV 1473 0.0000000000
|
|
4639 1675 TIP3 OH2 44.1718790252 47.8552618451 2.4169524697 SOLV 1474 0.0000000000
|
|
4640 1675 TIP3 H1 43.7627074739 47.4771977205 3.2104868623 SOLV 1474 0.0000000000
|
|
4641 1675 TIP3 H2 44.7670235214 47.1125172028 2.1823193589 SOLV 1474 0.0000000000
|
|
4642 1676 TIP3 OH2 44.2491058588 45.3577013386 15.0647073824 SOLV 1475 0.0000000000
|
|
4643 1676 TIP3 H1 43.3799347512 45.7967693850 14.9643794869 SOLV 1475 0.0000000000
|
|
4644 1676 TIP3 H2 44.7677933662 45.8060197780 14.3540465910 SOLV 1475 0.0000000000
|
|
4645 1677 TIP3 OH2 45.6295587865 45.8553280139 1.2225138742 SOLV 1476 0.0000000000
|
|
4646 1677 TIP3 H1 45.3142835799 45.9910169835 0.2954931618 SOLV 1476 0.0000000000
|
|
4647 1677 TIP3 H2 46.5638633127 45.6189124611 1.0826506488 SOLV 1476 0.0000000000
|
|
4648 1678 TIP3 OH2 48.7863330075 47.5886729845 17.9868261060 SOLV 1477 0.0000000000
|
|
4649 1678 TIP3 H1 49.0405762852 48.3195914722 18.5744188250 SOLV 1477 0.0000000000
|
|
4650 1678 TIP3 H2 48.5955605623 46.8745389752 18.6136686715 SOLV 1477 0.0000000000
|
|
4651 1679 TIP3 OH2 44.3755966908 42.8599503266 15.8734644996 SOLV 1478 0.0000000000
|
|
4652 1679 TIP3 H1 44.5300562550 42.2019902903 15.1536809355 SOLV 1478 0.0000000000
|
|
4653 1679 TIP3 H2 44.3813052561 43.7371806140 15.4007952066 SOLV 1478 0.0000000000
|
|
4654 1680 TIP3 OH2 44.7658897524 41.0940016870 13.7684869975 SOLV 1479 0.0000000000
|
|
4655 1680 TIP3 H1 45.3285906840 41.6140728382 13.1697874393 SOLV 1479 0.0000000000
|
|
4656 1680 TIP3 H2 43.9141237749 41.1382113858 13.2839054707 SOLV 1479 0.0000000000
|
|
4657 1681 TIP3 OH2 46.0544475102 46.6862747625 13.7103762992 SOLV 1480 0.0000000000
|
|
4658 1681 TIP3 H1 47.0145956598 46.6099021457 13.6139687792 SOLV 1480 0.0000000000
|
|
4659 1681 TIP3 H2 45.8564250308 47.5518771045 13.3224197298 SOLV 1480 0.0000000000
|
|
4660 1682 TIP3 OH2 42.8204901979 43.3449451441 18.2084763375 SOLV 1481 0.0000000000
|
|
4661 1682 TIP3 H1 41.9873198200 42.8876026502 17.9842569604 SOLV 1481 0.0000000000
|
|
4662 1682 TIP3 H2 43.2971973220 43.3305975658 17.3541979370 SOLV 1481 0.0000000000
|
|
4663 1683 TIP3 OH2 45.2858518946 38.3697060872 14.2215571320 SOLV 1482 0.0000000000
|
|
4664 1683 TIP3 H1 45.1392568606 39.3194869467 14.0234521653 SOLV 1482 0.0000000000
|
|
4665 1683 TIP3 H2 44.4701445147 37.9700653369 13.8598997647 SOLV 1482 0.0000000000
|
|
4666 1684 TIP3 OH2 46.5293588610 42.5900247053 17.6630321035 SOLV 1483 0.0000000000
|
|
4667 1684 TIP3 H1 45.9886976667 42.1180557254 18.3356807093 SOLV 1483 0.0000000000
|
|
4668 1684 TIP3 H2 45.8587691141 42.8003682952 16.9832358601 SOLV 1483 0.0000000000
|
|
4669 1685 TIP3 OH2 48.9916709488 41.3997357624 17.1175883548 SOLV 1484 0.0000000000
|
|
4670 1685 TIP3 H1 48.0932193061 41.7873644317 17.1923899151 SOLV 1484 0.0000000000
|
|
4671 1685 TIP3 H2 48.9144080602 40.6900409978 17.7770810011 SOLV 1484 0.0000000000
|
|
4672 1686 TIP3 OH2 40.5608753419 41.4992569735 18.1580943557 SOLV 1485 0.0000000000
|
|
4673 1686 TIP3 H1 40.6340104878 40.6738850061 17.6382910833 SOLV 1485 0.0000000000
|
|
4674 1686 TIP3 H2 40.7843260703 41.2275202516 19.0695666290 SOLV 1485 0.0000000000
|
|
4675 1687 TIP3 OH2 45.2224525087 37.6904374012 17.1244736724 SOLV 1486 0.0000000000
|
|
4676 1687 TIP3 H1 45.9471460804 37.0285785009 17.1291194832 SOLV 1486 0.0000000000
|
|
4677 1687 TIP3 H2 45.1933833530 37.8570323163 16.1589033207 SOLV 1486 0.0000000000
|
|
4678 1688 TIP3 OH2 46.0399686138 39.3014325509 19.1322923720 SOLV 1487 0.0000000000
|
|
4679 1688 TIP3 H1 45.7941084641 38.7160008963 18.3885333015 SOLV 1487 0.0000000000
|
|
4680 1688 TIP3 H2 45.4185213223 40.0419998701 18.9875092382 SOLV 1487 0.0000000000
|
|
4681 1689 TIP3 OH2 38.5489939288 47.5042415508 10.9889509534 SOLV 1488 0.0000000000
|
|
4682 1689 TIP3 H1 38.5780880824 47.2244034967 10.0420166946 SOLV 1488 0.0000000000
|
|
4683 1689 TIP3 H2 39.4033206427 47.1682431016 11.3348113233 SOLV 1488 0.0000000000
|
|
4684 1690 TIP3 OH2 38.3560333445 42.5265306598 16.9680279616 SOLV 1489 0.0000000000
|
|
4685 1690 TIP3 H1 39.1636982109 42.3052350301 17.4801273048 SOLV 1489 0.0000000000
|
|
4686 1690 TIP3 H2 38.0148384227 41.6202832586 16.7906238417 SOLV 1489 0.0000000000
|
|
4687 1691 TIP3 OH2 39.5800809770 40.9025496965 10.3987717875 SOLV 1490 0.0000000000
|
|
4688 1691 TIP3 H1 39.9519153555 40.0195590681 10.2081407617 SOLV 1490 0.0000000000
|
|
4689 1691 TIP3 H2 40.2988992546 41.4822656488 10.1122148573 SOLV 1490 0.0000000000
|
|
4690 1692 TIP3 OH2 37.7627254994 43.9845110301 10.7841848916 SOLV 1491 0.0000000000
|
|
4691 1692 TIP3 H1 38.4468946822 43.7311868861 10.1219329898 SOLV 1491 0.0000000000
|
|
4692 1692 TIP3 H2 38.0971813692 44.8357160156 11.0785399191 SOLV 1491 0.0000000000
|
|
4693 1693 TIP3 OH2 38.2080920127 40.2578554545 4.9265216180 SOLV 1492 0.0000000000
|
|
4694 1693 TIP3 H1 37.2473368428 40.3308471823 4.9584146843 SOLV 1492 0.0000000000
|
|
4695 1693 TIP3 H2 38.4245013550 40.8016112568 4.1445943018 SOLV 1492 0.0000000000
|
|
4696 1694 TIP3 OH2 38.2328173342 38.9379174564 13.2413455982 SOLV 1493 0.0000000000
|
|
4697 1694 TIP3 H1 37.4951132010 38.7489398412 13.8481058726 SOLV 1493 0.0000000000
|
|
4698 1694 TIP3 H2 37.8925097024 39.6163532427 12.6463413639 SOLV 1493 0.0000000000
|
|
4699 1695 TIP3 OH2 47.5705878285 39.5970210162 8.9205482489 SOLV 1494 0.0000000000
|
|
4700 1695 TIP3 H1 47.0573175156 38.9240890252 9.4265954419 SOLV 1494 0.0000000000
|
|
4701 1695 TIP3 H2 48.4721818983 39.3235223455 9.0984244331 SOLV 1494 0.0000000000
|
|
4702 1696 TIP3 OH2 40.5605355035 38.2428526218 7.1895565458 SOLV 1495 0.0000000000
|
|
4703 1696 TIP3 H1 39.6635507346 38.0348839872 6.8669530402 SOLV 1495 0.0000000000
|
|
4704 1696 TIP3 H2 41.0191551412 37.3846740663 7.0266593506 SOLV 1495 0.0000000000
|
|
4705 1697 TIP3 OH2 39.4169195805 38.2493624545 3.0890204587 SOLV 1496 0.0000000000
|
|
4706 1697 TIP3 H1 40.1860251077 38.7751590577 2.7438492421 SOLV 1496 0.0000000000
|
|
4707 1697 TIP3 H2 39.0357275264 38.8402182418 3.7761189718 SOLV 1496 0.0000000000
|
|
4708 1698 TIP3 OH2 45.0911390545 37.9347553681 7.2910880030 SOLV 1497 0.0000000000
|
|
4709 1698 TIP3 H1 45.7770747447 38.3621358658 6.7461161996 SOLV 1497 0.0000000000
|
|
4710 1698 TIP3 H2 45.5163819941 37.9654459400 8.1587040065 SOLV 1497 0.0000000000
|
|
4711 1699 TIP3 OH2 41.5383496966 39.4404093218 1.8925682386 SOLV 1498 0.0000000000
|
|
4712 1699 TIP3 H1 41.7263304141 39.8484831634 1.0477222403 SOLV 1498 0.0000000000
|
|
4713 1699 TIP3 H2 42.2671345386 39.7927677880 2.4241474736 SOLV 1498 0.0000000000
|
|
4714 1700 TIP3 OH2 46.2560781585 40.5458595792 3.7477684157 SOLV 1499 0.0000000000
|
|
4715 1700 TIP3 H1 46.4309604996 40.0273194926 4.5602389653 SOLV 1499 0.0000000000
|
|
4716 1700 TIP3 H2 46.5000883596 41.4228280425 4.1173878709 SOLV 1499 0.0000000000
|
|
4717 1701 TIP3 OH2 40.6541219890 39.1406196745 16.5286041313 SOLV 1500 0.0000000000
|
|
4718 1701 TIP3 H1 40.1045225845 38.3505694904 16.7578043492 SOLV 1500 0.0000000000
|
|
4719 1701 TIP3 H2 41.4874766653 38.9043650552 16.9760507356 SOLV 1500 0.0000000000
|
|
4720 1702 TIP3 OH2 42.5008967959 38.4122245642 18.4283154200 SOLV 1501 0.0000000000
|
|
4721 1702 TIP3 H1 43.4272247612 38.2316083076 18.1509890240 SOLV 1501 0.0000000000
|
|
4722 1702 TIP3 H2 42.2190976809 37.5002871849 18.6589283884 SOLV 1501 0.0000000000
|
|
4723 1703 TIP3 OH2 12.4507329651 10.2370474526 25.6315846386 SOLV 1502 0.0000000000
|
|
4724 1703 TIP3 H1 12.2298875936 11.1771212283 25.4671808926 SOLV 1502 0.0000000000
|
|
4725 1703 TIP3 H2 11.6756428048 9.8064075780 25.2246494518 SOLV 1502 0.0000000000
|
|
4726 1704 TIP3 OH2 10.9784325276 9.2965659039 29.6484239870 SOLV 1503 0.0000000000
|
|
4727 1704 TIP3 H1 11.3262632805 8.7881643085 30.4095371353 SOLV 1503 0.0000000000
|
|
4728 1704 TIP3 H2 10.3725986603 8.6482768605 29.2523949717 SOLV 1503 0.0000000000
|
|
4729 1705 TIP3 OH2 3.0579419305 8.4954735164 30.7803409652 SOLV 1504 0.0000000000
|
|
4730 1705 TIP3 H1 3.3041988089 7.9282397796 31.5413278066 SOLV 1504 0.0000000000
|
|
4731 1705 TIP3 H2 3.9017114301 8.9525157741 30.6104898018 SOLV 1504 0.0000000000
|
|
4732 1706 TIP3 OH2 14.6533699063 12.2174904542 27.8866442812 SOLV 1505 0.0000000000
|
|
4733 1706 TIP3 H1 14.3966908804 11.5031626860 28.4939811389 SOLV 1505 0.0000000000
|
|
4734 1706 TIP3 H2 14.7985606174 12.9616555119 28.4914449063 SOLV 1505 0.0000000000
|
|
4735 1707 TIP3 OH2 4.7032387513 13.5623956310 29.4382512057 SOLV 1506 0.0000000000
|
|
4736 1707 TIP3 H1 4.3067611971 12.7281627001 29.1188683895 SOLV 1506 0.0000000000
|
|
4737 1707 TIP3 H2 5.6259520526 13.4144537317 29.1605285174 SOLV 1506 0.0000000000
|
|
4738 1708 TIP3 OH2 0.6775030831 7.1422584663 24.9464075906 SOLV 1507 0.0000000000
|
|
4739 1708 TIP3 H1 0.7143917920 8.1169455591 25.0484142788 SOLV 1507 0.0000000000
|
|
4740 1708 TIP3 H2 0.6054753806 6.8336913414 25.8616716534 SOLV 1507 0.0000000000
|
|
4741 1709 TIP3 OH2 2.2083967364 9.1679591827 27.6361163979 SOLV 1508 0.0000000000
|
|
4742 1709 TIP3 H1 2.1403118957 8.1976716667 27.6759554956 SOLV 1508 0.0000000000
|
|
4743 1709 TIP3 H2 1.6464618566 9.3873237712 26.8678988336 SOLV 1508 0.0000000000
|
|
4744 1710 TIP3 OH2 12.0606488188 17.4575113414 28.1418969439 SOLV 1509 0.0000000000
|
|
4745 1710 TIP3 H1 12.6636747518 16.9196524547 27.5772222154 SOLV 1509 0.0000000000
|
|
4746 1710 TIP3 H2 11.6968716554 16.7700485924 28.7139279928 SOLV 1509 0.0000000000
|
|
4747 1711 TIP3 OH2 9.3561001296 12.1518086067 29.7445912422 SOLV 1510 0.0000000000
|
|
4748 1711 TIP3 H1 9.5411317855 11.3514356739 29.2327594638 SOLV 1510 0.0000000000
|
|
4749 1711 TIP3 H2 10.1025194324 12.1422841073 30.3786829726 SOLV 1510 0.0000000000
|
|
4750 1712 TIP3 OH2 18.1381159402 3.3949570146 30.5513358301 SOLV 1511 0.0000000000
|
|
4751 1712 TIP3 H1 18.4577755277 3.9709286471 31.2828951418 SOLV 1511 0.0000000000
|
|
4752 1712 TIP3 H2 18.7250659813 3.6880989507 29.8339759817 SOLV 1511 0.0000000000
|
|
4753 1713 TIP3 OH2 12.7008696654 6.0828365799 29.9785777146 SOLV 1512 0.0000000000
|
|
4754 1713 TIP3 H1 12.8644600653 5.1257098499 30.0838809491 SOLV 1512 0.0000000000
|
|
4755 1713 TIP3 H2 12.4600515840 6.0973820018 29.0283563425 SOLV 1512 0.0000000000
|
|
4756 1714 TIP3 OH2 6.1154431308 4.1890936555 27.2385371666 SOLV 1513 0.0000000000
|
|
4757 1714 TIP3 H1 6.2502458599 5.0443930939 26.7573750731 SOLV 1513 0.0000000000
|
|
4758 1714 TIP3 H2 5.6572398481 3.6612938948 26.5514980574 SOLV 1513 0.0000000000
|
|
4759 1715 TIP3 OH2 13.8694833555 4.3667889791 25.5893918642 SOLV 1514 0.0000000000
|
|
4760 1715 TIP3 H1 14.3350848470 4.0163396709 26.3835798664 SOLV 1514 0.0000000000
|
|
4761 1715 TIP3 H2 14.5496169297 4.9367874589 25.1912554945 SOLV 1514 0.0000000000
|
|
4762 1716 TIP3 OH2 2.0235404264 6.1559949063 27.9556786925 SOLV 1515 0.0000000000
|
|
4763 1716 TIP3 H1 2.6676889972 5.8896700706 28.6356612052 SOLV 1515 0.0000000000
|
|
4764 1716 TIP3 H2 2.5732243287 6.0031349608 27.1532335888 SOLV 1515 0.0000000000
|
|
4765 1717 TIP3 OH2 7.2399476000 8.2458584414 27.8489668854 SOLV 1516 0.0000000000
|
|
4766 1717 TIP3 H1 8.1255472350 7.8597812879 28.0029364198 SOLV 1516 0.0000000000
|
|
4767 1717 TIP3 H2 6.8504196707 7.5760272228 27.2500800024 SOLV 1516 0.0000000000
|
|
4768 1718 TIP3 OH2 18.6308401043 5.1588501473 32.5776636371 SOLV 1517 0.0000000000
|
|
4769 1718 TIP3 H1 17.7882922491 5.6537159385 32.4680410612 SOLV 1517 0.0000000000
|
|
4770 1718 TIP3 H2 18.7441474533 5.2376901435 33.5389615156 SOLV 1517 0.0000000000
|
|
4771 1719 TIP3 OH2 4.5727741815 2.9689520494 31.1814393921 SOLV 1518 0.0000000000
|
|
4772 1719 TIP3 H1 4.2191357663 3.6527061510 30.5868527018 SOLV 1518 0.0000000000
|
|
4773 1719 TIP3 H2 4.0475715116 3.1179724634 31.9992938123 SOLV 1518 0.0000000000
|
|
4774 1720 TIP3 OH2 11.5715691162 12.6413799602 24.6066952164 SOLV 1519 0.0000000000
|
|
4775 1720 TIP3 H1 11.4331956524 12.6024852769 23.6355819446 SOLV 1519 0.0000000000
|
|
4776 1720 TIP3 H2 11.3682828422 13.5885782937 24.7750214423 SOLV 1519 0.0000000000
|
|
4777 1721 TIP3 OH2 7.2477319290 11.1158066522 31.2566848521 SOLV 1520 0.0000000000
|
|
4778 1721 TIP3 H1 6.6660772484 11.8477543850 31.5616972402 SOLV 1520 0.0000000000
|
|
4779 1721 TIP3 H2 7.8799161842 11.5767709729 30.6826495241 SOLV 1520 0.0000000000
|
|
4780 1722 TIP3 OH2 14.9039564472 3.7488586561 28.0974551147 SOLV 1521 0.0000000000
|
|
4781 1722 TIP3 H1 14.0654313604 3.6235195717 28.5786377984 SOLV 1521 0.0000000000
|
|
4782 1722 TIP3 H2 15.3441135496 4.4220090308 28.6656131034 SOLV 1521 0.0000000000
|
|
4783 1723 TIP3 OH2 4.2699388273 5.1372075720 29.3227344710 SOLV 1522 0.0000000000
|
|
4784 1723 TIP3 H1 4.8810250742 5.6596106461 29.8790657149 SOLV 1522 0.0000000000
|
|
4785 1723 TIP3 H2 4.8919669371 4.8372145446 28.6230797977 SOLV 1522 0.0000000000
|
|
4786 1724 TIP3 OH2 5.6696503565 13.0836792183 32.3554384234 SOLV 1523 0.0000000000
|
|
4787 1724 TIP3 H1 5.5659740724 14.0491921907 32.2704031445 SOLV 1523 0.0000000000
|
|
4788 1724 TIP3 H2 4.7985580978 12.8426405898 32.7341144860 SOLV 1523 0.0000000000
|
|
4789 1725 TIP3 OH2 1.6376126090 12.5356843956 22.7035751223 SOLV 1524 0.0000000000
|
|
4790 1725 TIP3 H1 0.7822494984 12.8745174826 22.4067433794 SOLV 1524 0.0000000000
|
|
4791 1725 TIP3 H2 1.7103268084 12.8924773600 23.6020002231 SOLV 1524 0.0000000000
|
|
4792 1726 TIP3 OH2 15.1589041320 14.2083917661 29.9840781009 SOLV 1525 0.0000000000
|
|
4793 1726 TIP3 H1 14.2015449718 14.2736182797 30.2204219008 SOLV 1525 0.0000000000
|
|
4794 1726 TIP3 H2 15.3294750816 15.1281692025 29.7158455384 SOLV 1525 0.0000000000
|
|
4795 1727 TIP3 OH2 15.6880845142 2.9030193661 31.6002957912 SOLV 1526 0.0000000000
|
|
4796 1727 TIP3 H1 15.0667663825 3.0570134042 30.8641772740 SOLV 1526 0.0000000000
|
|
4797 1727 TIP3 H2 16.5602625080 3.0744509769 31.1819365144 SOLV 1526 0.0000000000
|
|
4798 1728 TIP3 OH2 8.1174689980 1.2468494385 28.5772616169 SOLV 1527 0.0000000000
|
|
4799 1728 TIP3 H1 8.5965536403 0.5505523884 29.0735919250 SOLV 1527 0.0000000000
|
|
4800 1728 TIP3 H2 7.2350050867 1.1722479719 29.0130423614 SOLV 1527 0.0000000000
|
|
4801 1729 TIP3 OH2 13.6658464638 16.1049190735 26.3861548546 SOLV 1528 0.0000000000
|
|
4802 1729 TIP3 H1 13.9492630880 15.2192157352 26.0707231984 SOLV 1528 0.0000000000
|
|
4803 1729 TIP3 H2 13.9099143116 16.6251437257 25.6082924819 SOLV 1528 0.0000000000
|
|
4804 1730 TIP3 OH2 14.6750516278 13.6701804620 25.1483435172 SOLV 1529 0.0000000000
|
|
4805 1730 TIP3 H1 14.7123549051 13.0464886042 24.4059461751 SOLV 1529 0.0000000000
|
|
4806 1730 TIP3 H2 14.6765689432 13.0846562632 25.9366369567 SOLV 1529 0.0000000000
|
|
4807 1731 TIP3 OH2 16.0967150719 12.3158649463 33.6631539141 SOLV 1530 0.0000000000
|
|
4808 1731 TIP3 H1 16.3382804685 11.7054368354 32.9400924010 SOLV 1530 0.0000000000
|
|
4809 1731 TIP3 H2 16.2581505174 13.1726010243 33.1953074949 SOLV 1530 0.0000000000
|
|
4810 1732 TIP3 OH2 10.9233775385 9.2621948859 23.6348438860 SOLV 1531 0.0000000000
|
|
4811 1732 TIP3 H1 10.2530157465 9.9349048213 23.3932132602 SOLV 1531 0.0000000000
|
|
4812 1732 TIP3 H2 11.6014777694 9.3769033201 22.9541751532 SOLV 1531 0.0000000000
|
|
4813 1733 TIP3 OH2 10.9425234088 8.2132655110 20.0928340310 SOLV 1532 0.0000000000
|
|
4814 1733 TIP3 H1 11.5544237389 8.5344758485 20.7862831936 SOLV 1532 0.0000000000
|
|
4815 1733 TIP3 H2 11.5247476176 7.5386015033 19.6691917437 SOLV 1532 0.0000000000
|
|
4816 1734 TIP3 OH2 17.9374070990 8.9556147651 31.7504404316 SOLV 1533 0.0000000000
|
|
4817 1734 TIP3 H1 17.2559940286 9.6543454899 31.6002582129 SOLV 1533 0.0000000000
|
|
4818 1734 TIP3 H2 18.5691208260 9.1534132419 31.0210260268 SOLV 1533 0.0000000000
|
|
4819 1735 TIP3 OH2 14.5609201494 9.4790157998 24.1057252547 SOLV 1534 0.0000000000
|
|
4820 1735 TIP3 H1 13.8506607536 9.7237027623 24.7521996582 SOLV 1534 0.0000000000
|
|
4821 1735 TIP3 H2 15.2251966336 9.0622618710 24.6972789851 SOLV 1534 0.0000000000
|
|
4822 1736 TIP3 OH2 13.8637654290 7.5627704940 33.7568245346 SOLV 1535 0.0000000000
|
|
4823 1736 TIP3 H1 13.6909491182 8.2613071160 34.4010327360 SOLV 1535 0.0000000000
|
|
4824 1736 TIP3 H2 13.2962854288 7.8396517879 33.0108808136 SOLV 1535 0.0000000000
|
|
4825 1737 TIP3 OH2 5.7826006384 10.0338063998 26.1998170824 SOLV 1536 0.0000000000
|
|
4826 1737 TIP3 H1 5.6158164331 9.6065510706 25.3268589116 SOLV 1536 0.0000000000
|
|
4827 1737 TIP3 H2 6.3561314995 9.3884409432 26.6549294883 SOLV 1536 0.0000000000
|
|
4828 1738 TIP3 OH2 7.3080630563 13.6380721684 28.7068997767 SOLV 1537 0.0000000000
|
|
4829 1738 TIP3 H1 7.4287107175 13.4740456309 27.7687768988 SOLV 1537 0.0000000000
|
|
4830 1738 TIP3 H2 8.0682786610 13.1552289502 29.1085760230 SOLV 1537 0.0000000000
|
|
4831 1739 TIP3 OH2 6.0817364116 8.8361827268 30.1922984123 SOLV 1538 0.0000000000
|
|
4832 1739 TIP3 H1 6.3560148280 8.8228759879 29.2451862792 SOLV 1538 0.0000000000
|
|
4833 1739 TIP3 H2 6.5222893124 9.6419445623 30.5349126233 SOLV 1538 0.0000000000
|
|
4834 1740 TIP3 OH2 12.6625673040 14.6292274334 30.7396010648 SOLV 1539 0.0000000000
|
|
4835 1740 TIP3 H1 12.4085152576 15.2931870530 31.3913375282 SOLV 1539 0.0000000000
|
|
4836 1740 TIP3 H2 12.1338856082 13.8562892892 31.0147321556 SOLV 1539 0.0000000000
|
|
4837 1741 TIP3 OH2 7.1252905502 13.3645479418 34.6031702095 SOLV 1540 0.0000000000
|
|
4838 1741 TIP3 H1 6.3365921601 13.7513174579 35.0446942354 SOLV 1540 0.0000000000
|
|
4839 1741 TIP3 H2 6.7528507146 13.1675471931 33.7237110739 SOLV 1540 0.0000000000
|
|
4840 1742 TIP3 OH2 13.0671233457 8.8492996970 21.9243976716 SOLV 1541 0.0000000000
|
|
4841 1742 TIP3 H1 13.7112291354 9.1642711609 22.6032069660 SOLV 1541 0.0000000000
|
|
4842 1742 TIP3 H2 13.5569546352 9.1175615999 21.1015189548 SOLV 1541 0.0000000000
|
|
4843 1743 TIP3 OH2 4.0095712281 9.0381773320 34.2317439699 SOLV 1542 0.0000000000
|
|
4844 1743 TIP3 H1 4.0411497067 9.9482154921 34.5795455812 SOLV 1542 0.0000000000
|
|
4845 1743 TIP3 H2 3.0532457530 8.9831542329 34.0044365694 SOLV 1542 0.0000000000
|
|
4846 1744 TIP3 OH2 11.1246807349 15.3350709334 24.9731471906 SOLV 1543 0.0000000000
|
|
4847 1744 TIP3 H1 11.4112473322 15.6465219164 25.8501184752 SOLV 1543 0.0000000000
|
|
4848 1744 TIP3 H2 10.4494014930 15.9770563922 24.7330489193 SOLV 1543 0.0000000000
|
|
4849 1745 TIP3 OH2 5.1503445594 15.0520351596 35.2987467238 SOLV 1544 0.0000000000
|
|
4850 1745 TIP3 H1 5.2108300346 15.4061566378 34.3945464941 SOLV 1544 0.0000000000
|
|
4851 1745 TIP3 H2 4.1953019882 15.1208494230 35.4731899120 SOLV 1544 0.0000000000
|
|
4852 1746 TIP3 OH2 16.6878252948 0.5802999528 21.1035201692 SOLV 1545 0.0000000000
|
|
4853 1746 TIP3 H1 15.8954434208 0.8786174289 21.5728162811 SOLV 1545 0.0000000000
|
|
4854 1746 TIP3 H2 17.1258966467 1.4379727687 20.9469569214 SOLV 1545 0.0000000000
|
|
4855 1747 TIP3 OH2 5.0705138792 8.9380363801 23.7142963122 SOLV 1546 0.0000000000
|
|
4856 1747 TIP3 H1 4.5361154358 9.6676949116 23.3453565341 SOLV 1546 0.0000000000
|
|
4857 1747 TIP3 H2 4.5753567313 8.1647079086 23.4333584704 SOLV 1546 0.0000000000
|
|
4858 1748 TIP3 OH2 18.0219823925 14.7106728050 20.1114736498 SOLV 1547 0.0000000000
|
|
4859 1748 TIP3 H1 18.2166427356 15.5754314933 20.4729648177 SOLV 1547 0.0000000000
|
|
4860 1748 TIP3 H2 18.9024678309 14.3016557813 20.2248243034 SOLV 1547 0.0000000000
|
|
4861 1749 TIP3 OH2 1.6147330719 11.4634047988 33.1383993413 SOLV 1548 0.0000000000
|
|
4862 1749 TIP3 H1 0.9888136822 11.6454749900 32.4047913613 SOLV 1548 0.0000000000
|
|
4863 1749 TIP3 H2 1.4899387986 10.4996392213 33.2379554448 SOLV 1548 0.0000000000
|
|
4864 1750 TIP3 OH2 1.1229701477 14.5641271314 29.0970323651 SOLV 1549 0.0000000000
|
|
4865 1750 TIP3 H1 1.5795915088 13.7225095129 29.2343154142 SOLV 1549 0.0000000000
|
|
4866 1750 TIP3 H2 1.0885010904 14.8848328161 30.0202802340 SOLV 1549 0.0000000000
|
|
4867 1751 TIP3 OH2 18.7471531829 15.2271628539 35.8170334341 SOLV 1550 0.0000000000
|
|
4868 1751 TIP3 H1 18.6299665793 14.2686561063 35.6845717719 SOLV 1550 0.0000000000
|
|
4869 1751 TIP3 H2 17.7924499661 15.4624751426 35.9312750158 SOLV 1550 0.0000000000
|
|
4870 1752 TIP3 OH2 9.6297247408 14.4633959525 34.0754968388 SOLV 1551 0.0000000000
|
|
4871 1752 TIP3 H1 9.5981756031 15.3915935441 34.3959461173 SOLV 1551 0.0000000000
|
|
4872 1752 TIP3 H2 8.7064738211 14.1552174369 34.2559868214 SOLV 1551 0.0000000000
|
|
4873 1753 TIP3 OH2 10.7155691670 18.1627509247 24.0279463236 SOLV 1552 0.0000000000
|
|
4874 1753 TIP3 H1 10.5348239041 18.1459441953 23.0660057733 SOLV 1552 0.0000000000
|
|
4875 1753 TIP3 H2 10.3756525375 19.0534462330 24.2749498526 SOLV 1552 0.0000000000
|
|
4876 1754 TIP3 OH2 4.0646479045 16.9083621546 25.8136632946 SOLV 1553 0.0000000000
|
|
4877 1754 TIP3 H1 4.1435722053 16.5928534734 26.7360069607 SOLV 1553 0.0000000000
|
|
4878 1754 TIP3 H2 3.3636191512 16.2958471417 25.4808479706 SOLV 1553 0.0000000000
|
|
4879 1755 TIP3 OH2 13.3278390202 17.3722383864 20.8641228149 SOLV 1554 0.0000000000
|
|
4880 1755 TIP3 H1 13.8537334867 16.6714464412 20.4292434757 SOLV 1554 0.0000000000
|
|
4881 1755 TIP3 H2 13.4400200276 17.1533005947 21.8162839031 SOLV 1554 0.0000000000
|
|
4882 1756 TIP3 OH2 13.1791812955 16.8538157216 23.5638173067 SOLV 1555 0.0000000000
|
|
4883 1756 TIP3 H1 12.3915437641 17.4202354050 23.6951654255 SOLV 1555 0.0000000000
|
|
4884 1756 TIP3 H2 12.8515003455 16.0243221678 23.9566131451 SOLV 1555 0.0000000000
|
|
4885 1757 TIP3 OH2 15.7303062175 6.3421475498 35.6075358270 SOLV 1556 0.0000000000
|
|
4886 1757 TIP3 H1 15.2100900137 6.7709890674 34.8991723455 SOLV 1556 0.0000000000
|
|
4887 1757 TIP3 H2 15.9538472150 5.4839419497 35.1989810724 SOLV 1556 0.0000000000
|
|
4888 1758 TIP3 OH2 3.3873640232 13.2461315351 33.8574823324 SOLV 1557 0.0000000000
|
|
4889 1758 TIP3 H1 3.5672967152 12.7528511413 34.6818707805 SOLV 1557 0.0000000000
|
|
4890 1758 TIP3 H2 2.5829005090 12.7466827345 33.5635155828 SOLV 1557 0.0000000000
|
|
4891 1759 TIP3 OH2 5.6862692885 0.6695921919 30.1450316665 SOLV 1558 0.0000000000
|
|
4892 1759 TIP3 H1 5.0410619876 0.1254777824 29.6403407580 SOLV 1558 0.0000000000
|
|
4893 1759 TIP3 H2 5.1152364491 1.3407593791 30.5781104814 SOLV 1558 0.0000000000
|
|
4894 1760 TIP3 OH2 10.7585831450 1.1895119078 33.3292279177 SOLV 1559 0.0000000000
|
|
4895 1760 TIP3 H1 11.0204407249 0.7773905310 32.4753112334 SOLV 1559 0.0000000000
|
|
4896 1760 TIP3 H2 9.7977648802 1.3130910671 33.1447491529 SOLV 1559 0.0000000000
|
|
4897 1761 TIP3 OH2 13.5377455811 4.9529947749 34.0713166425 SOLV 1560 0.0000000000
|
|
4898 1761 TIP3 H1 12.9091852813 4.7039929397 34.7950311020 SOLV 1560 0.0000000000
|
|
4899 1761 TIP3 H2 13.5141791906 5.9385948054 34.0990285018 SOLV 1560 0.0000000000
|
|
4900 1762 TIP3 OH2 14.4557858734 9.6022359633 19.8211489056 SOLV 1561 0.0000000000
|
|
4901 1762 TIP3 H1 14.2204570854 9.6390350731 18.8778617146 SOLV 1561 0.0000000000
|
|
4902 1762 TIP3 H2 15.4287865321 9.5411337004 19.7415680185 SOLV 1561 0.0000000000
|
|
4903 1763 TIP3 OH2 10.1085439261 3.4484782632 20.6262289202 SOLV 1562 0.0000000000
|
|
4904 1763 TIP3 H1 9.4515554892 3.3229567392 21.3376647532 SOLV 1562 0.0000000000
|
|
4905 1763 TIP3 H2 9.7565122256 2.7701712169 19.9995873495 SOLV 1562 0.0000000000
|
|
4906 1764 TIP3 OH2 5.9807225106 6.3104522691 31.0568534263 SOLV 1563 0.0000000000
|
|
4907 1764 TIP3 H1 5.2022298042 6.3001808515 31.6609658268 SOLV 1563 0.0000000000
|
|
4908 1764 TIP3 H2 6.0254666350 7.2668111676 30.8312653735 SOLV 1563 0.0000000000
|
|
4909 1765 TIP3 OH2 6.0206475984 6.6289170481 25.8856225568 SOLV 1564 0.0000000000
|
|
4910 1765 TIP3 H1 5.0507931534 6.5755773750 25.7516051935 SOLV 1564 0.0000000000
|
|
4911 1765 TIP3 H2 6.3149513362 6.5228784927 24.9567505170 SOLV 1564 0.0000000000
|
|
4912 1766 TIP3 OH2 11.4405717662 6.7690162004 24.5645578710 SOLV 1565 0.0000000000
|
|
4913 1766 TIP3 H1 11.2092961642 7.6450511601 24.1702557630 SOLV 1565 0.0000000000
|
|
4914 1766 TIP3 H2 12.0218312596 6.4091983624 23.8679812957 SOLV 1565 0.0000000000
|
|
4915 1767 TIP3 OH2 10.5676502426 7.2589825544 35.7147761678 SOLV 1566 0.0000000000
|
|
4916 1767 TIP3 H1 10.0188651471 6.5377313729 36.0866822681 SOLV 1566 0.0000000000
|
|
4917 1767 TIP3 H2 11.3714334506 7.1430846637 36.2559528800 SOLV 1566 0.0000000000
|
|
4918 1768 TIP3 OH2 12.4519767271 6.1514510753 27.1245002487 SOLV 1567 0.0000000000
|
|
4919 1768 TIP3 H1 11.9021357535 6.6017598773 26.4564939412 SOLV 1567 0.0000000000
|
|
4920 1768 TIP3 H2 12.8526502008 5.4781645626 26.5399958354 SOLV 1567 0.0000000000
|
|
4921 1769 TIP3 OH2 3.6471064919 6.4401213280 32.5061173966 SOLV 1568 0.0000000000
|
|
4922 1769 TIP3 H1 3.8102968241 6.9129528374 33.3292513728 SOLV 1568 0.0000000000
|
|
4923 1769 TIP3 H2 3.2029253445 5.6335612928 32.8329127246 SOLV 1568 0.0000000000
|
|
4924 1770 TIP3 OH2 6.6625469007 3.4907506219 19.1389706628 SOLV 1569 0.0000000000
|
|
4925 1770 TIP3 H1 6.4158219485 3.4356256884 20.0977842311 SOLV 1569 0.0000000000
|
|
4926 1770 TIP3 H2 6.1886837870 4.2990361770 18.8699111617 SOLV 1569 0.0000000000
|
|
4927 1771 TIP3 OH2 0.6845114588 3.8440534697 26.1791385728 SOLV 1570 0.0000000000
|
|
4928 1771 TIP3 H1 1.0307888954 4.3456023913 26.9301788000 SOLV 1570 0.0000000000
|
|
4929 1771 TIP3 H2 0.8197497698 2.9283165484 26.4128592979 SOLV 1570 0.0000000000
|
|
4930 1772 TIP3 OH2 1.9619092274 4.4094672029 22.3047294819 SOLV 1571 0.0000000000
|
|
4931 1772 TIP3 H1 2.1290229509 3.7709455996 21.6045588707 SOLV 1571 0.0000000000
|
|
4932 1772 TIP3 H2 1.9417236901 5.2414040624 21.7818532402 SOLV 1571 0.0000000000
|
|
4933 1773 TIP3 OH2 11.7698177207 7.7283470159 31.7509507514 SOLV 1572 0.0000000000
|
|
4934 1773 TIP3 H1 12.1688930245 7.0584056960 31.1511928205 SOLV 1572 0.0000000000
|
|
4935 1773 TIP3 H2 11.0647182253 7.2192434344 32.1876591295 SOLV 1572 0.0000000000
|
|
4936 1774 TIP3 OH2 9.0813569381 4.3496329681 26.8275317552 SOLV 1573 0.0000000000
|
|
4937 1774 TIP3 H1 8.1836684650 4.1280399000 27.1689491117 SOLV 1573 0.0000000000
|
|
4938 1774 TIP3 H2 9.6070037359 3.8303701930 27.4653821498 SOLV 1573 0.0000000000
|
|
4939 1775 TIP3 OH2 3.4538997339 5.7673771447 25.4607462151 SOLV 1574 0.0000000000
|
|
4940 1775 TIP3 H1 2.7738972279 5.9210022245 24.7792593447 SOLV 1574 0.0000000000
|
|
4941 1775 TIP3 H2 3.8579589651 4.9342349905 25.1222847981 SOLV 1574 0.0000000000
|
|
4942 1776 TIP3 OH2 6.4215456570 5.6136485225 23.2238863481 SOLV 1575 0.0000000000
|
|
4943 1776 TIP3 H1 7.3982282946 5.5273093622 23.2152729911 SOLV 1575 0.0000000000
|
|
4944 1776 TIP3 H2 6.2806931474 6.1973202982 22.4448260676 SOLV 1575 0.0000000000
|
|
4945 1777 TIP3 OH2 12.8924304904 3.3330290884 29.8642959918 SOLV 1576 0.0000000000
|
|
4946 1777 TIP3 H1 12.5014295122 3.3772476112 30.7705988141 SOLV 1576 0.0000000000
|
|
4947 1777 TIP3 H2 12.0994593808 3.0680197554 29.3458672835 SOLV 1576 0.0000000000
|
|
4948 1778 TIP3 OH2 6.0301013309 6.9465076876 20.8231175514 SOLV 1577 0.0000000000
|
|
4949 1778 TIP3 H1 5.6269047994 6.4823782945 20.0652511770 SOLV 1577 0.0000000000
|
|
4950 1778 TIP3 H2 6.8610738735 7.2600404425 20.4201032282 SOLV 1577 0.0000000000
|
|
4951 1779 TIP3 OH2 16.1788874422 18.7703841476 36.6993225889 SOLV 1578 0.0000000000
|
|
4952 1779 TIP3 H1 16.4309612226 18.9855111940 35.7904409317 SOLV 1578 0.0000000000
|
|
4953 1779 TIP3 H2 16.9337575967 19.1957073083 37.1463628304 SOLV 1578 0.0000000000
|
|
4954 1780 TIP3 OH2 3.9561379271 11.4014806012 35.8847793459 SOLV 1579 0.0000000000
|
|
4955 1780 TIP3 H1 4.7057204808 11.2864271057 36.5137650441 SOLV 1579 0.0000000000
|
|
4956 1780 TIP3 H2 3.2527808298 11.6542565955 36.5083539498 SOLV 1579 0.0000000000
|
|
4957 1781 TIP3 OH2 9.6291792733 7.0515286402 28.7667811583 SOLV 1580 0.0000000000
|
|
4958 1781 TIP3 H1 10.2278455085 6.3961677112 28.3775930438 SOLV 1580 0.0000000000
|
|
4959 1781 TIP3 H2 9.1746199172 6.5340535222 29.4633189030 SOLV 1580 0.0000000000
|
|
4960 1782 TIP3 OH2 4.8061389119 3.0161516608 25.1929318019 SOLV 1581 0.0000000000
|
|
4961 1782 TIP3 H1 4.1030088471 2.4588281916 25.5449882668 SOLV 1581 0.0000000000
|
|
4962 1782 TIP3 H2 5.4982024780 2.3529104107 25.0168249823 SOLV 1581 0.0000000000
|
|
4963 1783 TIP3 OH2 8.5650314897 5.6941557040 30.8708013708 SOLV 1582 0.0000000000
|
|
4964 1783 TIP3 H1 7.6440016154 5.9683395767 31.0848787252 SOLV 1582 0.0000000000
|
|
4965 1783 TIP3 H2 9.0558033526 5.8978041705 31.6880800353 SOLV 1582 0.0000000000
|
|
4966 1784 TIP3 OH2 8.9695699185 11.0493241719 22.9098212831 SOLV 1583 0.0000000000
|
|
4967 1784 TIP3 H1 8.2585265543 10.6880694355 22.3296222489 SOLV 1583 0.0000000000
|
|
4968 1784 TIP3 H2 8.4120846777 11.4452884040 23.6137607127 SOLV 1583 0.0000000000
|
|
4969 1785 TIP3 OH2 16.1435798697 10.8392013831 31.2226137176 SOLV 1584 0.0000000000
|
|
4970 1785 TIP3 H1 16.8079501735 11.3959056760 30.7433497454 SOLV 1584 0.0000000000
|
|
4971 1785 TIP3 H2 15.4014344229 10.7684429648 30.5947069025 SOLV 1584 0.0000000000
|
|
4972 1786 TIP3 OH2 12.5410395378 3.9621454316 21.3724145728 SOLV 1585 0.0000000000
|
|
4973 1786 TIP3 H1 11.6039317151 3.9923045382 21.0611357107 SOLV 1585 0.0000000000
|
|
4974 1786 TIP3 H2 12.7721836726 4.9025335337 21.4926538860 SOLV 1585 0.0000000000
|
|
4975 1787 TIP3 OH2 10.1377589410 11.6614517563 33.9252154684 SOLV 1586 0.0000000000
|
|
4976 1787 TIP3 H1 10.4822549769 11.2608882588 34.7302098491 SOLV 1586 0.0000000000
|
|
4977 1787 TIP3 H2 10.0609115070 12.6050624269 34.1609925046 SOLV 1586 0.0000000000
|
|
4978 1788 TIP3 OH2 13.2922442474 6.2140844831 22.5072831206 SOLV 1587 0.0000000000
|
|
4979 1788 TIP3 H1 14.1532100018 6.1633278197 22.9729742043 SOLV 1587 0.0000000000
|
|
4980 1788 TIP3 H2 13.2684325703 7.1367509068 22.2158382902 SOLV 1587 0.0000000000
|
|
4981 1789 TIP3 OH2 4.1131843778 10.9811838822 28.3454841333 SOLV 1588 0.0000000000
|
|
4982 1789 TIP3 H1 4.7605917986 10.7612431283 27.6583704319 SOLV 1588 0.0000000000
|
|
4983 1789 TIP3 H2 3.4722629707 10.2668403576 28.2123869787 SOLV 1588 0.0000000000
|
|
4984 1790 TIP3 OH2 10.8086534589 12.7729429224 21.9544218620 SOLV 1589 0.0000000000
|
|
4985 1790 TIP3 H1 10.4662023232 13.6878067285 22.1230587329 SOLV 1589 0.0000000000
|
|
4986 1790 TIP3 H2 10.0947817255 12.2003199306 22.2992250827 SOLV 1589 0.0000000000
|
|
4987 1791 TIP3 OH2 1.3454898894 8.8547035917 33.8769460978 SOLV 1590 0.0000000000
|
|
4988 1791 TIP3 H1 0.9401272797 8.6326090075 34.7247179145 SOLV 1590 0.0000000000
|
|
4989 1791 TIP3 H2 0.6725331936 8.5194177765 33.2385763906 SOLV 1590 0.0000000000
|
|
4990 1792 TIP3 OH2 8.3702705629 8.8770778441 35.8753665977 SOLV 1591 0.0000000000
|
|
4991 1792 TIP3 H1 7.8072023827 8.3272012716 35.2992032289 SOLV 1591 0.0000000000
|
|
4992 1792 TIP3 H2 9.2303519880 8.4204387191 35.7717039403 SOLV 1591 0.0000000000
|
|
4993 1793 TIP3 OH2 12.5479310118 14.2183622904 34.0514836591 SOLV 1592 0.0000000000
|
|
4994 1793 TIP3 H1 11.5951583907 14.2677816231 33.8702985416 SOLV 1592 0.0000000000
|
|
4995 1793 TIP3 H2 12.5627331948 14.6469862410 34.9314002718 SOLV 1592 0.0000000000
|
|
4996 1794 TIP3 OH2 17.9354037778 6.5960217382 22.2192445300 SOLV 1593 0.0000000000
|
|
4997 1794 TIP3 H1 17.4428772011 6.3102540681 21.4089482990 SOLV 1593 0.0000000000
|
|
4998 1794 TIP3 H2 18.1552893385 7.5156572676 21.9167187275 SOLV 1593 0.0000000000
|
|
4999 1795 TIP3 OH2 18.4984337242 12.3014059014 35.1948960499 SOLV 1594 0.0000000000
|
|
5000 1795 TIP3 H1 17.6005634719 12.4248531034 34.8139160891 SOLV 1594 0.0000000000
|
|
5001 1795 TIP3 H2 19.0170611196 12.1055014409 34.3781273658 SOLV 1594 0.0000000000
|
|
5002 1796 TIP3 OH2 13.9690755381 10.0788399966 29.4906416858 SOLV 1595 0.0000000000
|
|
5003 1796 TIP3 H1 13.0291057953 9.9753187937 29.2771532468 SOLV 1595 0.0000000000
|
|
5004 1796 TIP3 H2 14.3506385607 9.3329376450 28.9979503722 SOLV 1595 0.0000000000
|
|
5005 1797 TIP3 OH2 6.4022370042 14.3457118419 25.9522797960 SOLV 1596 0.0000000000
|
|
5006 1797 TIP3 H1 6.6797268198 15.2425054109 25.7065106982 SOLV 1596 0.0000000000
|
|
5007 1797 TIP3 H2 5.4787531332 14.3563718539 25.6718091217 SOLV 1596 0.0000000000
|
|
5008 1798 TIP3 OH2 2.2807333222 9.0522990795 20.5804253501 SOLV 1597 0.0000000000
|
|
5009 1798 TIP3 H1 3.0067811805 9.5228605046 21.0422900676 SOLV 1597 0.0000000000
|
|
5010 1798 TIP3 H2 1.5278172290 9.6237565108 20.7892912357 SOLV 1597 0.0000000000
|
|
5011 1799 TIP3 OH2 7.3013218524 12.0717964359 24.8440230482 SOLV 1598 0.0000000000
|
|
5012 1799 TIP3 H1 7.1295094073 12.9323850651 25.2896477019 SOLV 1598 0.0000000000
|
|
5013 1799 TIP3 H2 6.7825256305 11.4713335797 25.4116824363 SOLV 1598 0.0000000000
|
|
5014 1800 TIP3 OH2 8.3460227517 16.0252909375 31.9207739290 SOLV 1599 0.0000000000
|
|
5015 1800 TIP3 H1 8.9756975076 16.7508556843 31.7348019235 SOLV 1599 0.0000000000
|
|
5016 1800 TIP3 H2 8.9400274994 15.4215638107 32.4053260437 SOLV 1599 0.0000000000
|
|
5017 1801 TIP3 OH2 6.5657009479 16.8694981637 24.7939876200 SOLV 1600 0.0000000000
|
|
5018 1801 TIP3 H1 5.6477812198 17.0046341611 25.1283667561 SOLV 1600 0.0000000000
|
|
5019 1801 TIP3 H2 6.9855572763 17.6609280907 25.2110254791 SOLV 1600 0.0000000000
|
|
5020 1802 TIP3 OH2 11.3666053480 12.2102704361 31.5142201481 SOLV 1601 0.0000000000
|
|
5021 1802 TIP3 H1 11.1088130884 12.0516356109 32.4437072092 SOLV 1601 0.0000000000
|
|
5022 1802 TIP3 H2 11.9909867059 11.4813257904 31.3581712570 SOLV 1601 0.0000000000
|
|
5023 1803 TIP3 OH2 14.3955191044 13.2097810250 20.7574960496 SOLV 1602 0.0000000000
|
|
5024 1803 TIP3 H1 14.6164325277 12.8326341830 21.6348995944 SOLV 1602 0.0000000000
|
|
5025 1803 TIP3 H2 13.4651826488 12.9470458955 20.6532331736 SOLV 1602 0.0000000000
|
|
5026 1804 TIP3 OH2 14.4830571763 16.3545005111 33.7183038771 SOLV 1603 0.0000000000
|
|
5027 1804 TIP3 H1 13.5852040023 16.0289476539 33.5007587149 SOLV 1603 0.0000000000
|
|
5028 1804 TIP3 H2 14.6100719670 17.0569954290 33.0502659371 SOLV 1603 0.0000000000
|
|
5029 1805 TIP3 OH2 2.9864088281 3.8282903010 33.3313248539 SOLV 1604 0.0000000000
|
|
5030 1805 TIP3 H1 2.0282137449 3.8611265952 33.1710033954 SOLV 1604 0.0000000000
|
|
5031 1805 TIP3 H2 3.0707298831 3.1445988174 34.0307448662 SOLV 1604 0.0000000000
|
|
5032 1806 TIP3 OH2 15.1029597457 11.8408863755 22.9000090303 SOLV 1605 0.0000000000
|
|
5033 1806 TIP3 H1 14.8493215235 10.9479316856 23.2180805205 SOLV 1605 0.0000000000
|
|
5034 1806 TIP3 H2 16.0709646547 11.7607952453 22.8465776274 SOLV 1605 0.0000000000
|
|
5035 1807 TIP3 OH2 2.3761357655 15.5367021157 31.6715879694 SOLV 1606 0.0000000000
|
|
5036 1807 TIP3 H1 3.0280360812 14.8587848616 31.8751169306 SOLV 1606 0.0000000000
|
|
5037 1807 TIP3 H2 2.6602151786 16.2495560777 32.2446359799 SOLV 1606 0.0000000000
|
|
5038 1808 TIP3 OH2 8.0141543010 14.3075755501 19.1467268086 SOLV 1607 0.0000000000
|
|
5039 1808 TIP3 H1 8.1017309871 13.5417874670 18.5564523612 SOLV 1607 0.0000000000
|
|
5040 1808 TIP3 H2 7.5860934505 13.9027741257 19.9268336806 SOLV 1607 0.0000000000
|
|
5041 1809 TIP3 OH2 6.9544720201 13.6855086168 21.6378866203 SOLV 1608 0.0000000000
|
|
5042 1809 TIP3 H1 7.5210485633 13.2684699560 22.3062183970 SOLV 1608 0.0000000000
|
|
5043 1809 TIP3 H2 7.0304451714 14.6452601921 21.8980996106 SOLV 1608 0.0000000000
|
|
5044 1810 TIP3 OH2 3.6061024703 10.7917622005 22.1520468045 SOLV 1609 0.0000000000
|
|
5045 1810 TIP3 H1 2.8257907786 11.2838733402 22.4782481270 SOLV 1609 0.0000000000
|
|
5046 1810 TIP3 H2 4.0201178417 11.5419584389 21.6776221807 SOLV 1609 0.0000000000
|
|
5047 1811 TIP3 OH2 11.7650867913 3.6152847123 32.4315344941 SOLV 1610 0.0000000000
|
|
5048 1811 TIP3 H1 12.4631306967 4.0151975486 32.9853998282 SOLV 1610 0.0000000000
|
|
5049 1811 TIP3 H2 11.4556300263 2.8673434497 32.9877924082 SOLV 1610 0.0000000000
|
|
5050 1812 TIP3 OH2 12.1296828130 3.0568221739 23.9253552701 SOLV 1611 0.0000000000
|
|
5051 1812 TIP3 H1 12.2378143002 3.3639631090 22.9886645858 SOLV 1611 0.0000000000
|
|
5052 1812 TIP3 H2 12.8272686740 3.5673008015 24.3788457909 SOLV 1611 0.0000000000
|
|
5053 1813 TIP3 OH2 9.8342881046 15.1937790412 22.2221330272 SOLV 1612 0.0000000000
|
|
5054 1813 TIP3 H1 8.9636182971 15.6110900458 22.3753495168 SOLV 1612 0.0000000000
|
|
5055 1813 TIP3 H2 10.3658419821 15.9692943308 21.9915530307 SOLV 1612 0.0000000000
|
|
5056 1814 TIP3 OH2 9.0648018329 5.1909230349 24.2503533818 SOLV 1613 0.0000000000
|
|
5057 1814 TIP3 H1 9.7796323687 5.8504653005 24.2872702142 SOLV 1613 0.0000000000
|
|
5058 1814 TIP3 H2 8.9340882678 4.9984967864 25.2024966977 SOLV 1613 0.0000000000
|
|
5059 1815 TIP3 OH2 10.1582803397 6.0315679519 33.3040994467 SOLV 1614 0.0000000000
|
|
5060 1815 TIP3 H1 10.3220285865 6.3684634347 34.2043664253 SOLV 1614 0.0000000000
|
|
5061 1815 TIP3 H2 10.6475659128 5.1921638332 33.2604504658 SOLV 1614 0.0000000000
|
|
5062 1816 TIP3 OH2 9.8778720531 2.1016875897 25.0557768610 SOLV 1615 0.0000000000
|
|
5063 1816 TIP3 H1 9.8793442376 2.8849281870 25.6247835595 SOLV 1615 0.0000000000
|
|
5064 1816 TIP3 H2 10.7438791350 2.2364591914 24.5967243619 SOLV 1615 0.0000000000
|
|
5065 1817 TIP3 OH2 7.3457067327 16.2155127996 22.2567662455 SOLV 1616 0.0000000000
|
|
5066 1817 TIP3 H1 7.3935424995 17.0594174536 21.7610363156 SOLV 1616 0.0000000000
|
|
5067 1817 TIP3 H2 6.9404450088 16.5371846177 23.0915908195 SOLV 1616 0.0000000000
|
|
5068 1818 TIP3 OH2 5.9725905543 3.2192607135 21.7538016208 SOLV 1617 0.0000000000
|
|
5069 1818 TIP3 H1 5.7900753761 3.9293654699 22.4016948534 SOLV 1617 0.0000000000
|
|
5070 1818 TIP3 H2 6.8337380187 2.8979580138 22.1095666661 SOLV 1617 0.0000000000
|
|
5071 1819 TIP3 OH2 16.0308998584 3.9615598060 34.0325571752 SOLV 1618 0.0000000000
|
|
5072 1819 TIP3 H1 15.0761678129 4.1846391950 34.0885808466 SOLV 1618 0.0000000000
|
|
5073 1819 TIP3 H2 16.0539570522 3.5385063557 33.1478269841 SOLV 1618 0.0000000000
|
|
5074 1820 TIP3 OH2 14.7138243783 7.5995814828 28.0013021346 SOLV 1619 0.0000000000
|
|
5075 1820 TIP3 H1 13.8024671592 7.2622789841 27.8862516909 SOLV 1619 0.0000000000
|
|
5076 1820 TIP3 H2 15.0644285653 7.0207903063 28.7035495865 SOLV 1619 0.0000000000
|
|
5077 1821 TIP3 OH2 4.5708948720 12.9720689216 20.7115967527 SOLV 1620 0.0000000000
|
|
5078 1821 TIP3 H1 5.3568728612 13.4166854743 21.1115616218 SOLV 1620 0.0000000000
|
|
5079 1821 TIP3 H2 5.0068170422 12.4319475252 20.0111283742 SOLV 1620 0.0000000000
|
|
5080 1822 TIP3 OH2 1.6276109194 6.3781596187 20.3561984895 SOLV 1621 0.0000000000
|
|
5081 1822 TIP3 H1 1.9334408003 7.2968835757 20.4766051761 SOLV 1621 0.0000000000
|
|
5082 1822 TIP3 H2 1.2292274895 6.3986301417 19.4622043007 SOLV 1621 0.0000000000
|
|
5083 1823 TIP3 OH2 16.0135720174 17.0047355556 29.9209021272 SOLV 1622 0.0000000000
|
|
5084 1823 TIP3 H1 16.0698351885 17.3456843773 29.0237509695 SOLV 1622 0.0000000000
|
|
5085 1823 TIP3 H2 16.9436291035 16.9970829979 30.2040971446 SOLV 1622 0.0000000000
|
|
5086 1824 TIP3 OH2 2.1787871108 15.2642409060 24.9139549675 SOLV 1623 0.0000000000
|
|
5087 1824 TIP3 H1 1.2681533255 15.1208501597 25.1859486713 SOLV 1623 0.0000000000
|
|
5088 1824 TIP3 H2 2.0270319509 15.7716627438 24.0838716816 SOLV 1623 0.0000000000
|
|
5089 1825 TIP3 OH2 1.8593464098 17.7963852128 36.5161623959 SOLV 1624 0.0000000000
|
|
5090 1825 TIP3 H1 2.3713426208 17.8522656219 37.3541397361 SOLV 1624 0.0000000000
|
|
5091 1825 TIP3 H2 2.0925063866 16.8727316743 36.2630175205 SOLV 1624 0.0000000000
|
|
5092 1826 TIP3 OH2 5.9170893455 16.2022555070 37.6512692728 SOLV 1625 0.0000000000
|
|
5093 1826 TIP3 H1 6.7046312215 15.6958925426 37.9267618987 SOLV 1625 0.0000000000
|
|
5094 1826 TIP3 H2 5.7938311765 15.8669482182 36.7421162410 SOLV 1625 0.0000000000
|
|
5095 1827 TIP3 OH2 10.0935832416 16.0884096800 18.9660313409 SOLV 1626 0.0000000000
|
|
5096 1827 TIP3 H1 9.5042375956 15.3317539411 19.1764211295 SOLV 1626 0.0000000000
|
|
5097 1827 TIP3 H2 10.8800478236 15.6189736055 18.6100891485 SOLV 1626 0.0000000000
|
|
5098 1828 TIP3 OH2 12.3480487370 15.0269748796 36.7071442369 SOLV 1627 0.0000000000
|
|
5099 1828 TIP3 H1 12.1132865337 14.1155472591 37.0126327287 SOLV 1627 0.0000000000
|
|
5100 1828 TIP3 H2 13.2148043282 15.1131080333 37.1790959189 SOLV 1627 0.0000000000
|
|
5101 1829 TIP3 OH2 14.6922576261 15.5305740050 19.4319191054 SOLV 1628 0.0000000000
|
|
5102 1829 TIP3 H1 14.7148760087 14.6695253609 19.9146864307 SOLV 1628 0.0000000000
|
|
5103 1829 TIP3 H2 15.5079874288 15.4944269208 18.9069738953 SOLV 1628 0.0000000000
|
|
5104 1830 TIP3 OH2 1.4984824039 11.8797712034 37.0186250057 SOLV 1629 0.0000000000
|
|
5105 1830 TIP3 H1 1.3526876558 10.9469351102 36.8018331065 SOLV 1629 0.0000000000
|
|
5106 1830 TIP3 H2 0.5965399694 12.2020705859 36.8631027036 SOLV 1629 0.0000000000
|
|
5107 1831 TIP3 OH2 5.8978343790 11.2810230445 19.0635498100 SOLV 1630 0.0000000000
|
|
5108 1831 TIP3 H1 6.0556523051 10.7510187939 19.8627832573 SOLV 1630 0.0000000000
|
|
5109 1831 TIP3 H2 6.7906093347 11.2642173765 18.6600280339 SOLV 1630 0.0000000000
|
|
5110 1832 TIP3 OH2 8.1683491138 11.5560610404 36.5811913683 SOLV 1631 0.0000000000
|
|
5111 1832 TIP3 H1 8.0225396634 12.0363448472 35.7412906269 SOLV 1631 0.0000000000
|
|
5112 1832 TIP3 H2 8.3180146558 10.6295704461 36.2684532125 SOLV 1631 0.0000000000
|
|
5113 1833 TIP3 OH2 11.7827130470 12.7529188771 19.4064597752 SOLV 1632 0.0000000000
|
|
5114 1833 TIP3 H1 11.2483471118 12.7785839951 20.2226141030 SOLV 1632 0.0000000000
|
|
5115 1833 TIP3 H2 11.5673500205 11.8527005325 19.0687939058 SOLV 1632 0.0000000000
|
|
5116 1834 TIP3 OH2 13.4404688203 11.5263906591 34.0865951689 SOLV 1633 0.0000000000
|
|
5117 1834 TIP3 H1 14.3483052976 11.8980540830 34.0476969440 SOLV 1633 0.0000000000
|
|
5118 1834 TIP3 H2 12.9489943081 12.3619903612 34.0652362495 SOLV 1633 0.0000000000
|
|
5119 1835 TIP3 OH2 1.5397950520 8.9531658363 36.7191091635 SOLV 1634 0.0000000000
|
|
5120 1835 TIP3 H1 2.2126600937 8.3899994458 36.3158792187 SOLV 1634 0.0000000000
|
|
5121 1835 TIP3 H2 1.9440754379 9.0800658448 37.6085152705 SOLV 1634 0.0000000000
|
|
5122 1836 TIP3 OH2 6.9113783784 9.9651968399 21.4400168932 SOLV 1635 0.0000000000
|
|
5123 1836 TIP3 H1 6.3454961755 9.4268933233 22.0281375522 SOLV 1635 0.0000000000
|
|
5124 1836 TIP3 H2 7.4456299244 9.2895171418 20.9785588149 SOLV 1635 0.0000000000
|
|
5125 1837 TIP3 OH2 6.2447590310 7.5656170841 34.0411585054 SOLV 1636 0.0000000000
|
|
5126 1837 TIP3 H1 5.5649213601 8.2552513466 34.1840205685 SOLV 1636 0.0000000000
|
|
5127 1837 TIP3 H2 6.8108589101 8.0031847523 33.3554882802 SOLV 1636 0.0000000000
|
|
5128 1838 TIP3 OH2 8.2637324154 8.1467293564 19.7707695128 SOLV 1637 0.0000000000
|
|
5129 1838 TIP3 H1 8.3023880941 8.4474206096 18.8362625352 SOLV 1637 0.0000000000
|
|
5130 1838 TIP3 H2 9.2262578585 8.0424042036 19.9767184072 SOLV 1637 0.0000000000
|
|
5131 1839 TIP3 OH2 11.4657529282 10.2627714753 37.1865967589 SOLV 1638 0.0000000000
|
|
5132 1839 TIP3 H1 12.0364470365 9.7525937111 36.5745379961 SOLV 1638 0.0000000000
|
|
5133 1839 TIP3 H2 11.0234451265 9.5531760239 37.7041741408 SOLV 1638 0.0000000000
|
|
5134 1840 TIP3 OH2 17.0956556487 9.9611112251 19.4281210845 SOLV 1639 0.0000000000
|
|
5135 1840 TIP3 H1 17.1585882345 9.7419888714 18.4887494519 SOLV 1639 0.0000000000
|
|
5136 1840 TIP3 H2 16.8975921236 10.9412037639 19.3795306907 SOLV 1639 0.0000000000
|
|
5137 1841 TIP3 OH2 6.6368316871 5.0635216695 34.8242972763 SOLV 1640 0.0000000000
|
|
5138 1841 TIP3 H1 6.7558258089 4.5919078201 33.9695421034 SOLV 1640 0.0000000000
|
|
5139 1841 TIP3 H2 6.4357590628 5.9623491266 34.4936541107 SOLV 1640 0.0000000000
|
|
5140 1842 TIP3 OH2 7.0134867114 3.8208083350 32.4499172748 SOLV 1641 0.0000000000
|
|
5141 1842 TIP3 H1 7.6456674480 4.1622910171 31.7813001823 SOLV 1641 0.0000000000
|
|
5142 1842 TIP3 H2 6.1927962728 3.7596860637 31.9269464857 SOLV 1641 0.0000000000
|
|
5143 1843 TIP3 OH2 8.1230546499 8.8862026066 32.6542250745 SOLV 1642 0.0000000000
|
|
5144 1843 TIP3 H1 9.0695308994 9.0319394954 32.6130948391 SOLV 1642 0.0000000000
|
|
5145 1843 TIP3 H2 7.7715355410 9.7193562114 32.2586432498 SOLV 1642 0.0000000000
|
|
5146 1844 TIP3 OH2 12.6574388156 6.6169524685 37.5395089140 SOLV 1643 0.0000000000
|
|
5147 1844 TIP3 H1 12.7415995587 5.6507734674 37.5685874929 SOLV 1643 0.0000000000
|
|
5148 1844 TIP3 H2 13.5159220439 6.8911207286 37.1690994641 SOLV 1643 0.0000000000
|
|
5149 1845 TIP3 OH2 14.3766213746 9.4925417945 35.8059548843 SOLV 1644 0.0000000000
|
|
5150 1845 TIP3 H1 14.0875869966 10.2001673411 35.1854487282 SOLV 1644 0.0000000000
|
|
5151 1845 TIP3 H2 15.3464743354 9.5225472160 35.7166512198 SOLV 1644 0.0000000000
|
|
5152 1846 TIP3 OH2 5.1982153768 5.7614634779 37.2180448620 SOLV 1645 0.0000000000
|
|
5153 1846 TIP3 H1 4.3238769944 5.3269781952 37.0995199013 SOLV 1645 0.0000000000
|
|
5154 1846 TIP3 H2 5.5300933212 5.7488209990 36.3045938144 SOLV 1645 0.0000000000
|
|
5155 1847 TIP3 OH2 8.1006479893 1.2486965989 32.8109314888 SOLV 1646 0.0000000000
|
|
5156 1847 TIP3 H1 7.6239837093 2.1117326958 32.7996728946 SOLV 1646 0.0000000000
|
|
5157 1847 TIP3 H2 7.4869625391 0.6675751821 32.3366223858 SOLV 1646 0.0000000000
|
|
5158 1848 TIP3 OH2 8.9219385776 5.1685041667 36.6491212399 SOLV 1647 0.0000000000
|
|
5159 1848 TIP3 H1 8.4346515716 4.7327780098 37.3720531941 SOLV 1647 0.0000000000
|
|
5160 1848 TIP3 H2 8.3187882687 4.9965970309 35.9024820469 SOLV 1647 0.0000000000
|
|
5161 1849 TIP3 OH2 11.6173459248 4.2061080198 35.8022914709 SOLV 1648 0.0000000000
|
|
5162 1849 TIP3 H1 10.6819331252 4.2921040326 36.0492625604 SOLV 1648 0.0000000000
|
|
5163 1849 TIP3 H2 11.9329145487 3.5331451352 36.4469332456 SOLV 1648 0.0000000000
|
|
5164 1850 TIP3 OH2 13.1046376228 2.7468586294 37.5749493570 SOLV 1649 0.0000000000
|
|
5165 1850 TIP3 H1 13.1621968240 1.7759499889 37.6399868362 SOLV 1649 0.0000000000
|
|
5166 1850 TIP3 H2 12.9541340904 2.9931470218 38.5061054159 SOLV 1649 0.0000000000
|
|
5167 1851 TIP3 OH2 3.0337805380 4.0810619381 37.0609040482 SOLV 1650 0.0000000000
|
|
5168 1851 TIP3 H1 3.0785300527 3.2988796029 36.4655914615 SOLV 1650 0.0000000000
|
|
5169 1851 TIP3 H2 3.1152503213 3.6498868710 37.9346501664 SOLV 1650 0.0000000000
|
|
5170 1852 TIP3 OH2 7.8533254356 0.6344708032 35.5863496812 SOLV 1651 0.0000000000
|
|
5171 1852 TIP3 H1 8.8049586013 0.7758654249 35.4355481685 SOLV 1651 0.0000000000
|
|
5172 1852 TIP3 H2 7.5824492227 0.5594796205 34.6582549271 SOLV 1651 0.0000000000
|
|
5173 1853 TIP3 OH2 8.5427430077 1.8745093369 37.9082928474 SOLV 1652 0.0000000000
|
|
5174 1853 TIP3 H1 8.2802696308 1.3233475573 37.1628166055 SOLV 1652 0.0000000000
|
|
5175 1853 TIP3 H2 7.8215218372 2.5478822958 37.9003917934 SOLV 1652 0.0000000000
|
|
5176 1854 TIP3 OH2 8.0259961211 18.5409491697 21.2056933856 SOLV 1653 0.0000000000
|
|
5177 1854 TIP3 H1 8.9670822186 18.2552300571 21.1840734338 SOLV 1653 0.0000000000
|
|
5178 1854 TIP3 H2 8.0503563941 19.2064928677 20.4882828677 SOLV 1653 0.0000000000
|
|
5179 1855 TIP3 OH2 2.0545347729 14.1312611590 19.7566642685 SOLV 1654 0.0000000000
|
|
5180 1855 TIP3 H1 2.8395851817 13.8572727140 20.2544129123 SOLV 1654 0.0000000000
|
|
5181 1855 TIP3 H2 1.7712420872 13.2643332697 19.4150965674 SOLV 1654 0.0000000000
|
|
5182 1856 TIP3 OH2 0.4638999651 18.7098528273 25.3647180522 SOLV 1655 0.0000000000
|
|
5183 1856 TIP3 H1 -0.3495096305 18.3930499569 24.9402856380 SOLV 1655 0.0000000000
|
|
5184 1856 TIP3 H2 0.5825084946 17.9876398266 26.0095983867 SOLV 1655 0.0000000000
|
|
5185 1857 TIP3 OH2 1.0480483336 16.5928739258 27.4057217387 SOLV 1656 0.0000000000
|
|
5186 1857 TIP3 H1 1.0551679788 15.6686002470 27.7555447779 SOLV 1656 0.0000000000
|
|
5187 1857 TIP3 H2 1.7495881272 16.9856391625 27.9515252653 SOLV 1656 0.0000000000
|
|
5188 1858 TIP3 OH2 17.7456627682 16.9373036170 33.1410643266 SOLV 1657 0.0000000000
|
|
5189 1858 TIP3 H1 17.4153024051 16.0904329015 32.7593218496 SOLV 1657 0.0000000000
|
|
5190 1858 TIP3 H2 18.4789576094 16.5842399424 33.6689384249 SOLV 1657 0.0000000000
|
|
5191 1859 TIP3 OH2 16.5827088857 12.5590578197 38.0902514623 SOLV 1658 0.0000000000
|
|
5192 1859 TIP3 H1 15.7394401397 12.6928373528 38.5658262708 SOLV 1658 0.0000000000
|
|
5193 1859 TIP3 H2 17.0643885466 13.3629378820 38.3816547806 SOLV 1658 0.0000000000
|
|
5194 1860 TIP3 OH2 17.8310353968 11.0932720912 23.0344247496 SOLV 1659 0.0000000000
|
|
5195 1860 TIP3 H1 18.6855778492 11.5652935216 23.1404866936 SOLV 1659 0.0000000000
|
|
5196 1860 TIP3 H2 17.7685758922 10.5755010874 23.8613339187 SOLV 1659 0.0000000000
|
|
5197 1861 TIP3 OH2 18.3430672741 9.1649098639 25.2532628751 SOLV 1660 0.0000000000
|
|
5198 1861 TIP3 H1 17.5427291270 8.6023638265 25.4164354651 SOLV 1660 0.0000000000
|
|
5199 1861 TIP3 H2 18.8403210577 9.1047673802 26.0847240050 SOLV 1660 0.0000000000
|
|
5200 1862 TIP3 OH2 18.3785631979 12.1103887836 30.4777722115 SOLV 1661 0.0000000000
|
|
5201 1862 TIP3 H1 18.8301219757 11.3890012820 29.9899399846 SOLV 1661 0.0000000000
|
|
5202 1862 TIP3 H2 18.8255123303 12.9031397204 30.1089836700 SOLV 1661 0.0000000000
|
|
5203 1863 TIP3 OH2 16.4028353092 14.7165530663 32.4335963781 SOLV 1662 0.0000000000
|
|
5204 1863 TIP3 H1 15.6687960991 15.2061793968 32.8486648978 SOLV 1662 0.0000000000
|
|
5205 1863 TIP3 H2 16.0426214819 14.5062171946 31.5443549506 SOLV 1662 0.0000000000
|
|
5206 1864 TIP3 OH2 18.5713847486 9.0277077939 21.4250203094 SOLV 1663 0.0000000000
|
|
5207 1864 TIP3 H1 17.9442222187 9.2474904589 20.6933308783 SOLV 1663 0.0000000000
|
|
5208 1864 TIP3 H2 18.3678532965 9.7767222081 22.0340312612 SOLV 1663 0.0000000000
|
|
5209 1865 TIP3 OH2 16.8571772928 6.4023363058 19.7527993921 SOLV 1664 0.0000000000
|
|
5210 1865 TIP3 H1 16.8689530713 6.9143006390 18.9467272804 SOLV 1664 0.0000000000
|
|
5211 1865 TIP3 H2 16.5618333751 5.5211249149 19.4178185610 SOLV 1664 0.0000000000
|
|
5212 1866 TIP3 OH2 16.0565637426 7.8545739706 25.6299322043 SOLV 1665 0.0000000000
|
|
5213 1866 TIP3 H1 15.7940963104 7.0264454651 25.1749949817 SOLV 1665 0.0000000000
|
|
5214 1866 TIP3 H2 15.6650579102 7.7212246599 26.5246299622 SOLV 1665 0.0000000000
|
|
5215 1867 TIP3 OH2 0.6920255565 9.5621033132 29.9622155914 SOLV 1666 0.0000000000
|
|
5216 1867 TIP3 H1 1.1794910382 9.7947691252 29.1481521742 SOLV 1666 0.0000000000
|
|
5217 1867 TIP3 H2 1.4491652088 9.2854466747 30.5161159394 SOLV 1666 0.0000000000
|
|
5218 1868 TIP3 OH2 17.1812433231 9.7026161010 35.6894748476 SOLV 1667 0.0000000000
|
|
5219 1868 TIP3 H1 17.6133411265 8.8736388872 35.3786840828 SOLV 1667 0.0000000000
|
|
5220 1868 TIP3 H2 17.8029729703 10.4151168478 35.4499543314 SOLV 1667 0.0000000000
|
|
5221 1869 TIP3 OH2 18.2393625153 7.2817741155 35.2599862000 SOLV 1668 0.0000000000
|
|
5222 1869 TIP3 H1 17.3652873142 6.9888301855 35.5900157259 SOLV 1668 0.0000000000
|
|
5223 1869 TIP3 H2 18.8228204399 6.5358399709 35.5299288285 SOLV 1668 0.0000000000
|
|
5224 1870 TIP3 OH2 15.9243138928 4.0316663103 18.8107467581 SOLV 1669 0.0000000000
|
|
5225 1870 TIP3 H1 16.4776794121 3.5351861657 19.4290024180 SOLV 1669 0.0000000000
|
|
5226 1870 TIP3 H2 15.0635597425 3.5727251763 18.8690409631 SOLV 1669 0.0000000000
|
|
5227 1871 TIP3 OH2 15.8963553026 5.5930844499 24.0272232588 SOLV 1670 0.0000000000
|
|
5228 1871 TIP3 H1 16.2020435966 4.6680475491 24.1296463385 SOLV 1670 0.0000000000
|
|
5229 1871 TIP3 H2 16.6198262073 5.9370519366 23.4654172248 SOLV 1670 0.0000000000
|
|
5230 1872 TIP3 OH2 16.0240854028 5.7923600035 29.5724653372 SOLV 1671 0.0000000000
|
|
5231 1872 TIP3 H1 16.9690923234 5.8545308983 29.2969588398 SOLV 1671 0.0000000000
|
|
5232 1872 TIP3 H2 16.1116605209 6.0081162028 30.5252178556 SOLV 1671 0.0000000000
|
|
5233 1873 TIP3 OH2 16.3449743326 6.7257103214 32.0998913652 SOLV 1672 0.0000000000
|
|
5234 1873 TIP3 H1 15.4885727063 7.0624621855 32.4230516660 SOLV 1672 0.0000000000
|
|
5235 1873 TIP3 H2 16.8896527010 7.5502875649 32.0464386362 SOLV 1672 0.0000000000
|
|
5236 1874 TIP3 OH2 1.0168566641 5.9350130539 36.4806357054 SOLV 1673 0.0000000000
|
|
5237 1874 TIP3 H1 1.7974607954 5.3549097524 36.6026756680 SOLV 1673 0.0000000000
|
|
5238 1874 TIP3 H2 0.3385556161 5.2707722787 36.2079469735 SOLV 1673 0.0000000000
|
|
5239 1875 TIP3 OH2 18.8011490603 0.8284303163 37.8167267527 SOLV 1674 0.0000000000
|
|
5240 1875 TIP3 H1 19.5575528703 0.2525627749 37.5520905367 SOLV 1674 0.0000000000
|
|
5241 1875 TIP3 H2 18.6712330973 1.3444717537 36.9882010686 SOLV 1674 0.0000000000
|
|
5242 1876 TIP3 OH2 16.6369276597 3.0303272484 24.1802162194 SOLV 1675 0.0000000000
|
|
5243 1876 TIP3 H1 16.7375385369 2.4405305262 24.9599649490 SOLV 1675 0.0000000000
|
|
5244 1876 TIP3 H2 15.9915773762 2.5108563941 23.6421075147 SOLV 1675 0.0000000000
|
|
5245 1877 TIP3 OH2 -0.1681568227 6.9721324685 29.6004810514 SOLV 1676 0.0000000000
|
|
5246 1877 TIP3 H1 0.5821564204 6.6053920955 29.0997222483 SOLV 1676 0.0000000000
|
|
5247 1877 TIP3 H2 0.0911615799 7.9089693811 29.6664866559 SOLV 1676 0.0000000000
|
|
5248 1878 TIP3 OH2 18.3712811679 2.3654789773 35.4893682981 SOLV 1677 0.0000000000
|
|
5249 1878 TIP3 H1 17.5009773629 2.7758407657 35.6285770764 SOLV 1677 0.0000000000
|
|
5250 1878 TIP3 H2 18.3479561161 2.2632362178 34.5221818190 SOLV 1677 0.0000000000
|
|
5251 1879 TIP3 OH2 17.9329032655 2.8456034087 20.7157611364 SOLV 1678 0.0000000000
|
|
5252 1879 TIP3 H1 18.4152104930 2.2449626780 20.1062556448 SOLV 1678 0.0000000000
|
|
5253 1879 TIP3 H2 18.6601969594 3.3090402575 21.1701899920 SOLV 1678 0.0000000000
|
|
5254 1880 TIP3 OH2 1.4207902135 1.8081408417 23.8814173925 SOLV 1679 0.0000000000
|
|
5255 1880 TIP3 H1 0.5475299995 2.2619031214 23.7689644661 SOLV 1679 0.0000000000
|
|
5256 1880 TIP3 H2 1.9851119575 2.6007650851 23.9094421772 SOLV 1679 0.0000000000
|
|
5257 1881 TIP3 OH2 2.3648003944 15.1239049775 36.0869570196 SOLV 1680 0.0000000000
|
|
5258 1881 TIP3 H1 2.1008682720 14.3389172378 35.5677679670 SOLV 1680 0.0000000000
|
|
5259 1881 TIP3 H2 2.2714440341 14.8241762520 37.0195188828 SOLV 1680 0.0000000000
|
|
5260 1882 TIP3 OH2 5.7485840504 15.9573823855 32.6665695141 SOLV 1681 0.0000000000
|
|
5261 1882 TIP3 H1 5.6438627105 16.9084282289 32.4350643992 SOLV 1681 0.0000000000
|
|
5262 1882 TIP3 H2 6.6908131284 15.8467342861 32.4137337103 SOLV 1681 0.0000000000
|
|
5263 1883 TIP3 OH2 9.7606467316 16.9487969478 35.1917231227 SOLV 1682 0.0000000000
|
|
5264 1883 TIP3 H1 9.7084560901 16.6227470917 36.1196267814 SOLV 1682 0.0000000000
|
|
5265 1883 TIP3 H2 10.6209765866 17.4250799786 35.2143936352 SOLV 1682 0.0000000000
|
|
5266 1884 TIP3 OH2 11.9924262492 18.6658421421 35.0567996651 SOLV 1683 0.0000000000
|
|
5267 1884 TIP3 H1 12.6989592536 18.1913621375 34.5986378866 SOLV 1683 0.0000000000
|
|
5268 1884 TIP3 H2 12.4567133440 18.9956429909 35.8556502799 SOLV 1683 0.0000000000
|
|
5269 1885 TIP3 OH2 16.2797312124 0.5234517568 33.3771714124 SOLV 1684 0.0000000000
|
|
5270 1885 TIP3 H1 16.0026987928 1.2804701437 32.8262739831 SOLV 1684 0.0000000000
|
|
5271 1885 TIP3 H2 16.1065833842 -0.2381021191 32.7862650222 SOLV 1684 0.0000000000
|
|
5272 1886 TIP3 OH2 3.0799370900 18.8002556004 32.8748528208 SOLV 1685 0.0000000000
|
|
5273 1886 TIP3 H1 2.3491954053 19.3205824938 32.4749945559 SOLV 1685 0.0000000000
|
|
5274 1886 TIP3 H2 3.2203098941 19.2659652131 33.7081120342 SOLV 1685 0.0000000000
|
|
5275 1887 TIP3 OH2 5.5640569059 18.4560356860 31.8289988464 SOLV 1686 0.0000000000
|
|
5276 1887 TIP3 H1 4.6186444001 18.5917008208 32.0583122205 SOLV 1686 0.0000000000
|
|
5277 1887 TIP3 H2 5.5968865785 18.7433117714 30.8921381049 SOLV 1686 0.0000000000
|
|
5278 1888 TIP3 OH2 10.0791410095 18.2729228051 30.8562044270 SOLV 1687 0.0000000000
|
|
5279 1888 TIP3 H1 9.3912770803 18.6715716678 30.2987896499 SOLV 1687 0.0000000000
|
|
5280 1888 TIP3 H2 10.2477438404 18.9807569112 31.5245715510 SOLV 1687 0.0000000000
|
|
5281 1889 TIP3 OH2 12.0816926303 16.9580719872 32.1386066833 SOLV 1688 0.0000000000
|
|
5282 1889 TIP3 H1 11.3859725229 17.3925538279 31.5843674261 SOLV 1688 0.0000000000
|
|
5283 1889 TIP3 H2 12.8347526534 17.5442667218 31.9392748371 SOLV 1688 0.0000000000
|
|
5284 1890 TIP3 OH2 14.5915841961 18.2758736116 31.9093751863 SOLV 1689 0.0000000000
|
|
5285 1890 TIP3 H1 14.8347234174 19.2082960238 31.7697897110 SOLV 1689 0.0000000000
|
|
5286 1890 TIP3 H2 15.0835481785 17.8849778046 31.1554926375 SOLV 1689 0.0000000000
|
|
5287 1891 TIP3 OH2 2.8056393333 17.5302274953 29.4217348530 SOLV 1690 0.0000000000
|
|
5288 1891 TIP3 H1 2.3863710890 16.9697030150 30.0991528241 SOLV 1690 0.0000000000
|
|
5289 1891 TIP3 H2 3.5798891515 16.9943936382 29.1481253822 SOLV 1690 0.0000000000
|
|
5290 1892 TIP3 OH2 4.7622331696 16.0154513686 28.3388633549 SOLV 1691 0.0000000000
|
|
5291 1892 TIP3 H1 4.6975842589 15.0917746093 28.6737636337 SOLV 1691 0.0000000000
|
|
5292 1892 TIP3 H2 5.6825078222 16.2005096709 28.6306004098 SOLV 1691 0.0000000000
|
|
5293 1893 TIP3 OH2 7.2012658313 16.2423954894 29.3457142089 SOLV 1692 0.0000000000
|
|
5294 1893 TIP3 H1 7.3878129439 15.2967781361 29.1401214120 SOLV 1692 0.0000000000
|
|
5295 1893 TIP3 H2 7.4262705144 16.2698046109 30.2875435150 SOLV 1692 0.0000000000
|
|
5296 1894 TIP3 OH2 10.6565409172 2.6786362869 28.3567849218 SOLV 1693 0.0000000000
|
|
5297 1894 TIP3 H1 9.8630077719 2.1232798160 28.4319425930 SOLV 1693 0.0000000000
|
|
5298 1894 TIP3 H2 11.2565133879 2.0326805259 27.9019166697 SOLV 1693 0.0000000000
|
|
5299 1895 TIP3 OH2 16.0488611229 1.1432801470 28.3160574218 SOLV 1694 0.0000000000
|
|
5300 1895 TIP3 H1 16.6853669183 1.2919232761 27.5764605994 SOLV 1694 0.0000000000
|
|
5301 1895 TIP3 H2 15.7282642827 2.0567726684 28.4966109320 SOLV 1694 0.0000000000
|
|
5302 1896 TIP3 OH2 17.7036959362 1.3717204877 26.1610339335 SOLV 1695 0.0000000000
|
|
5303 1896 TIP3 H1 18.4414426378 0.7888725673 25.9594231376 SOLV 1695 0.0000000000
|
|
5304 1896 TIP3 H2 18.1965203454 2.2117041152 26.3206926205 SOLV 1695 0.0000000000
|
|
5305 1897 TIP3 OH2 2.8462398988 0.9294608174 25.9633638665 SOLV 1696 0.0000000000
|
|
5306 1897 TIP3 H1 2.2501657080 0.9979599191 25.1878220181 SOLV 1696 0.0000000000
|
|
5307 1897 TIP3 H2 3.1837864894 0.0324937437 25.9119827366 SOLV 1696 0.0000000000
|
|
5308 1898 TIP3 OH2 2.0788512972 0.4934925092 21.5958792028 SOLV 1697 0.0000000000
|
|
5309 1898 TIP3 H1 2.5448960340 1.1930385943 21.0965952066 SOLV 1697 0.0000000000
|
|
5310 1898 TIP3 H2 1.7498212350 0.9826300645 22.3764489088 SOLV 1697 0.0000000000
|
|
5311 1899 TIP3 OH2 7.2754141242 1.4473155448 25.6549726413 SOLV 1698 0.0000000000
|
|
5312 1899 TIP3 H1 8.2183614450 1.5692173566 25.4260040490 SOLV 1698 0.0000000000
|
|
5313 1899 TIP3 H2 7.3304054243 1.5200432796 26.6201247891 SOLV 1698 0.0000000000
|
|
5314 1900 TIP3 OH2 12.2638168349 0.9695911739 27.0693864196 SOLV 1699 0.0000000000
|
|
5315 1900 TIP3 H1 12.4382827474 1.1950289050 26.1536899630 SOLV 1699 0.0000000000
|
|
5316 1900 TIP3 H2 13.0316173468 0.3842683936 27.2854157012 SOLV 1699 0.0000000000
|
|
5317 1901 TIP3 OH2 14.5317219205 1.6410253789 23.1896929150 SOLV 1700 0.0000000000
|
|
5318 1901 TIP3 H1 13.6097730023 1.8931349090 23.3796655861 SOLV 1700 0.0000000000
|
|
5319 1901 TIP3 H2 14.4337556861 0.6657736044 23.1405702377 SOLV 1700 0.0000000000
|
|
5320 1902 TIP3 OH2 1.5792361995 16.7181501759 22.6537851896 SOLV 1701 0.0000000000
|
|
5321 1902 TIP3 H1 1.0562005161 16.3667306328 21.9359026265 SOLV 1701 0.0000000000
|
|
5322 1902 TIP3 H2 1.9015734252 17.5571825077 22.2567864562 SOLV 1701 0.0000000000
|
|
5323 1903 TIP3 OH2 3.7175111410 2.5085340396 20.3915644348 SOLV 1702 0.0000000000
|
|
5324 1903 TIP3 H1 4.1331583681 2.0329182046 19.6502330006 SOLV 1702 0.0000000000
|
|
5325 1903 TIP3 H2 4.5027999992 2.8152833627 20.8963171684 SOLV 1702 0.0000000000
|
|
5326 1904 TIP3 OH2 8.4725948561 2.9457792789 22.8454399471 SOLV 1703 0.0000000000
|
|
5327 1904 TIP3 H1 8.9548116253 2.3398769738 23.4291357044 SOLV 1703 0.0000000000
|
|
5328 1904 TIP3 H2 8.6474195763 3.7921691671 23.3234752357 SOLV 1703 0.0000000000
|
|
5329 1905 TIP3 OH2 10.6657583748 17.6078095016 21.2519882278 SOLV 1704 0.0000000000
|
|
5330 1905 TIP3 H1 11.5703049852 17.8621172257 20.9660460940 SOLV 1704 0.0000000000
|
|
5331 1905 TIP3 H2 10.3971729474 17.1218284343 20.4395873382 SOLV 1704 0.0000000000
|
|
5332 1906 TIP3 OH2 3.0360811821 1.8516178627 35.5632740967 SOLV 1705 0.0000000000
|
|
5333 1906 TIP3 H1 2.3728857526 1.1350937802 35.4662291626 SOLV 1705 0.0000000000
|
|
5334 1906 TIP3 H2 3.7418474083 1.3949908400 36.0522571540 SOLV 1705 0.0000000000
|
|
5335 1907 TIP3 OH2 5.1462542217 1.0449128978 37.1515941523 SOLV 1706 0.0000000000
|
|
5336 1907 TIP3 H1 5.9459059736 1.2090885600 36.6155849766 SOLV 1706 0.0000000000
|
|
5337 1907 TIP3 H2 5.5248958010 0.4892452956 37.8645311796 SOLV 1706 0.0000000000
|
|
5338 1908 TIP3 OH2 3.8480703578 17.3781585925 19.4756176438 SOLV 1707 0.0000000000
|
|
5339 1908 TIP3 H1 3.8342277273 17.3123172632 20.4280675720 SOLV 1707 0.0000000000
|
|
5340 1908 TIP3 H2 4.6279849407 16.8021518042 19.2414028844 SOLV 1707 0.0000000000
|
|
5341 1909 TIP3 OH2 13.2707427241 50.0008595151 37.6074243273 SOLV 1708 0.0000000000
|
|
5342 1909 TIP3 H1 13.8049191731 49.6073045279 38.3244605630 SOLV 1708 0.0000000000
|
|
5343 1909 TIP3 H2 13.8336187863 49.8678201389 36.8338868086 SOLV 1708 0.0000000000
|
|
5344 1910 TIP3 OH2 16.2150292547 15.9942086424 35.8356901246 SOLV 1709 0.0000000000
|
|
5345 1910 TIP3 H1 15.5220062402 15.9965592412 35.1380469955 SOLV 1709 0.0000000000
|
|
5346 1910 TIP3 H2 16.1645279595 16.8912492800 36.1917560093 SOLV 1709 0.0000000000
|
|
5347 1911 TIP3 OH2 31.1889928336 10.1384161787 25.5833894588 SOLV 1710 0.0000000000
|
|
5348 1911 TIP3 H1 30.7546320356 10.8561609442 26.0724601168 SOLV 1710 0.0000000000
|
|
5349 1911 TIP3 H2 30.4299269987 9.7377241053 25.1067902411 SOLV 1710 0.0000000000
|
|
5350 1912 TIP3 OH2 29.8189039473 9.3195848685 29.5526316347 SOLV 1711 0.0000000000
|
|
5351 1912 TIP3 H1 30.1558123424 8.8856304198 30.3723798022 SOLV 1711 0.0000000000
|
|
5352 1912 TIP3 H2 29.2418270343 8.6066612620 29.2230601874 SOLV 1711 0.0000000000
|
|
5353 1913 TIP3 OH2 21.8306584107 8.4559365384 30.8689962335 SOLV 1712 0.0000000000
|
|
5354 1913 TIP3 H1 21.9628771567 7.7836675997 31.5642970744 SOLV 1712 0.0000000000
|
|
5355 1913 TIP3 H2 22.6400202980 8.9771931960 30.9237334100 SOLV 1712 0.0000000000
|
|
5356 1914 TIP3 OH2 33.4807903794 12.2891070311 27.8609469362 SOLV 1713 0.0000000000
|
|
5357 1914 TIP3 H1 33.1944371702 11.5031617343 28.3682355595 SOLV 1713 0.0000000000
|
|
5358 1914 TIP3 H2 33.7564639363 12.8744383847 28.5822473337 SOLV 1713 0.0000000000
|
|
5359 1915 TIP3 OH2 22.8472408643 13.3323222643 28.8498254142 SOLV 1714 0.0000000000
|
|
5360 1915 TIP3 H1 22.6793760054 12.3960606070 28.6467666667 SOLV 1714 0.0000000000
|
|
5361 1915 TIP3 H2 23.8062144418 13.3075084385 28.9628917130 SOLV 1714 0.0000000000
|
|
5362 1916 TIP3 OH2 19.7176038002 6.8061460463 24.6492295644 SOLV 1715 0.0000000000
|
|
5363 1916 TIP3 H1 19.5435070616 7.7392054350 24.8830019150 SOLV 1715 0.0000000000
|
|
5364 1916 TIP3 H2 19.2814045097 6.7782410675 23.7815580032 SOLV 1715 0.0000000000
|
|
5365 1917 TIP3 OH2 20.4170059739 9.0972747196 27.3809605939 SOLV 1716 0.0000000000
|
|
5366 1917 TIP3 H1 20.8256132621 8.2319358976 27.5662528838 SOLV 1716 0.0000000000
|
|
5367 1917 TIP3 H2 21.1908944630 9.6875727832 27.3515241029 SOLV 1716 0.0000000000
|
|
5368 1918 TIP3 OH2 28.0976138339 11.6642865582 30.0045735114 SOLV 1717 0.0000000000
|
|
5369 1918 TIP3 H1 28.4593034045 11.0196379708 29.3793641518 SOLV 1717 0.0000000000
|
|
5370 1918 TIP3 H2 28.9319524916 11.9223388480 30.4666686527 SOLV 1717 0.0000000000
|
|
5371 1919 TIP3 OH2 37.0387996291 3.5250373358 30.5372314310 SOLV 1718 0.0000000000
|
|
5372 1919 TIP3 H1 37.2294481628 3.9664473069 31.3987926560 SOLV 1718 0.0000000000
|
|
5373 1919 TIP3 H2 37.5686453245 4.0858917594 29.9469518897 SOLV 1718 0.0000000000
|
|
5374 1920 TIP3 OH2 31.5659145179 6.0742107821 29.9742554945 SOLV 1719 0.0000000000
|
|
5375 1920 TIP3 H1 31.6731557732 5.1186166386 30.1191247710 SOLV 1719 0.0000000000
|
|
5376 1920 TIP3 H2 31.3124118506 6.0717462487 29.0284013051 SOLV 1719 0.0000000000
|
|
5377 1921 TIP3 OH2 24.8822603615 4.2566145831 27.3491483886 SOLV 1720 0.0000000000
|
|
5378 1921 TIP3 H1 25.0071695106 5.0860018785 26.8369823591 SOLV 1720 0.0000000000
|
|
5379 1921 TIP3 H2 24.4150907098 3.7076489422 26.6790975469 SOLV 1720 0.0000000000
|
|
5380 1922 TIP3 OH2 32.8466581147 4.3713680202 25.5785239372 SOLV 1721 0.0000000000
|
|
5381 1922 TIP3 H1 33.2675267347 3.9974885620 26.3856890351 SOLV 1721 0.0000000000
|
|
5382 1922 TIP3 H2 33.5971260570 4.7948454650 25.1181904550 SOLV 1721 0.0000000000
|
|
5383 1923 TIP3 OH2 21.0806508158 6.5609949560 28.0562022381 SOLV 1722 0.0000000000
|
|
5384 1923 TIP3 H1 21.7174425858 6.2353870606 28.7087528778 SOLV 1722 0.0000000000
|
|
5385 1923 TIP3 H2 21.4223609872 6.1775609583 27.2116315755 SOLV 1722 0.0000000000
|
|
5386 1924 TIP3 OH2 26.0154237337 8.2537455200 27.7420344677 SOLV 1723 0.0000000000
|
|
5387 1924 TIP3 H1 26.8527488617 7.8051976098 27.9601921399 SOLV 1723 0.0000000000
|
|
5388 1924 TIP3 H2 25.5991636428 7.5677652340 27.1892746883 SOLV 1723 0.0000000000
|
|
5389 1925 TIP3 OH2 37.1352417675 4.9735340938 32.8161220032 SOLV 1724 0.0000000000
|
|
5390 1925 TIP3 H1 36.4124233790 5.6359195667 32.8094453216 SOLV 1724 0.0000000000
|
|
5391 1925 TIP3 H2 37.4120723086 4.9777215847 33.7439544302 SOLV 1724 0.0000000000
|
|
5392 1926 TIP3 OH2 23.6376771565 3.3472256857 31.3386939412 SOLV 1725 0.0000000000
|
|
5393 1926 TIP3 H1 23.2474309366 3.9039319315 30.6424464547 SOLV 1725 0.0000000000
|
|
5394 1926 TIP3 H2 22.9496627537 3.4129497119 32.0444733246 SOLV 1725 0.0000000000
|
|
5395 1927 TIP3 OH2 30.4355230947 12.7035767105 24.5769457897 SOLV 1726 0.0000000000
|
|
5396 1927 TIP3 H1 31.0419547774 12.0675561737 24.1802088223 SOLV 1726 0.0000000000
|
|
5397 1927 TIP3 H2 31.0978217606 13.3119052635 24.9717111700 SOLV 1726 0.0000000000
|
|
5398 1928 TIP3 OH2 25.9304808121 10.9232782195 31.3962378213 SOLV 1727 0.0000000000
|
|
5399 1928 TIP3 H1 25.4048536645 11.7189888824 31.6330702736 SOLV 1727 0.0000000000
|
|
5400 1928 TIP3 H2 26.6739399232 11.3134489272 30.8886835460 SOLV 1727 0.0000000000
|
|
5401 1929 TIP3 OH2 33.7252639179 3.7154142174 28.2021559322 SOLV 1728 0.0000000000
|
|
5402 1929 TIP3 H1 32.8458958279 3.5839950239 28.6103117585 SOLV 1728 0.0000000000
|
|
5403 1929 TIP3 H2 34.0968001800 4.4692407227 28.7146770922 SOLV 1728 0.0000000000
|
|
5404 1930 TIP3 OH2 23.1458066416 5.1477350886 29.3105699418 SOLV 1729 0.0000000000
|
|
5405 1930 TIP3 H1 23.7173247222 5.7570074817 29.8329202636 SOLV 1729 0.0000000000
|
|
5406 1930 TIP3 H2 23.7866339924 4.8503679554 28.6157699876 SOLV 1729 0.0000000000
|
|
5407 1931 TIP3 OH2 24.5140736630 13.0050029997 32.3987016020 SOLV 1730 0.0000000000
|
|
5408 1931 TIP3 H1 24.4989576745 13.9743961953 32.2699062734 SOLV 1730 0.0000000000
|
|
5409 1931 TIP3 H2 23.5815849665 12.8377468974 32.6592817988 SOLV 1730 0.0000000000
|
|
5410 1932 TIP3 OH2 20.1085803986 12.4658116592 22.7026609584 SOLV 1731 0.0000000000
|
|
5411 1932 TIP3 H1 20.1111892790 12.8470049364 21.7964160413 SOLV 1731 0.0000000000
|
|
5412 1932 TIP3 H2 20.0086160853 13.2525988912 23.2506137095 SOLV 1731 0.0000000000
|
|
5413 1933 TIP3 OH2 34.1137551941 14.2327301187 29.9469921170 SOLV 1732 0.0000000000
|
|
5414 1933 TIP3 H1 33.1607010078 14.2979276980 30.1787986032 SOLV 1732 0.0000000000
|
|
5415 1933 TIP3 H2 34.1752989887 14.9335175385 29.2857202063 SOLV 1732 0.0000000000
|
|
5416 1934 TIP3 OH2 34.4427652995 2.8795160363 31.4844408755 SOLV 1733 0.0000000000
|
|
5417 1934 TIP3 H1 33.8744680892 3.0265382830 30.7130163040 SOLV 1733 0.0000000000
|
|
5418 1934 TIP3 H2 35.3425395025 3.0910222295 31.1535573008 SOLV 1733 0.0000000000
|
|
5419 1935 TIP3 OH2 26.9817007314 1.1186900344 28.5356942419 SOLV 1734 0.0000000000
|
|
5420 1935 TIP3 H1 27.4783444274 0.4206028488 29.0289048731 SOLV 1734 0.0000000000
|
|
5421 1935 TIP3 H2 26.1510535955 1.1069892124 29.0599086603 SOLV 1734 0.0000000000
|
|
5422 1936 TIP3 OH2 33.0069427815 13.3990457792 25.1926435326 SOLV 1735 0.0000000000
|
|
5423 1936 TIP3 H1 33.6622221642 12.9811907957 24.6254813104 SOLV 1735 0.0000000000
|
|
5424 1936 TIP3 H2 33.2173871994 13.0079115237 26.0636940889 SOLV 1735 0.0000000000
|
|
5425 1937 TIP3 OH2 34.9796433605 12.4451613517 33.6185278904 SOLV 1736 0.0000000000
|
|
5426 1937 TIP3 H1 35.0802566993 11.7899414777 32.8970794623 SOLV 1736 0.0000000000
|
|
5427 1937 TIP3 H2 35.2570446804 13.2533639356 33.1249434422 SOLV 1736 0.0000000000
|
|
5428 1938 TIP3 OH2 29.6653102317 9.1783984764 23.5658457748 SOLV 1737 0.0000000000
|
|
5429 1938 TIP3 H1 29.0376778299 9.8764910867 23.2597743436 SOLV 1737 0.0000000000
|
|
5430 1938 TIP3 H2 30.3746257215 9.2421536862 22.8936583592 SOLV 1737 0.0000000000
|
|
5431 1939 TIP3 OH2 29.7349101494 8.0959131947 20.0359471838 SOLV 1738 0.0000000000
|
|
5432 1939 TIP3 H1 30.2876064982 8.5125405089 20.7305325959 SOLV 1738 0.0000000000
|
|
5433 1939 TIP3 H2 30.3823333566 7.4676987552 19.6473908137 SOLV 1738 0.0000000000
|
|
5434 1940 TIP3 OH2 36.7281775513 8.7805773750 31.3625563634 SOLV 1739 0.0000000000
|
|
5435 1940 TIP3 H1 36.0914095077 9.5313834543 31.4291006532 SOLV 1739 0.0000000000
|
|
5436 1940 TIP3 H2 37.4296380838 9.1754510834 30.8065749675 SOLV 1739 0.0000000000
|
|
5437 1941 TIP3 OH2 33.3804194048 9.5675790051 24.0958879658 SOLV 1740 0.0000000000
|
|
5438 1941 TIP3 H1 32.6336281043 9.7308990612 24.7225427240 SOLV 1740 0.0000000000
|
|
5439 1941 TIP3 H2 34.0107910040 9.0733901245 24.6707588077 SOLV 1740 0.0000000000
|
|
5440 1942 TIP3 OH2 32.7195461910 7.5131154261 33.7830891343 SOLV 1741 0.0000000000
|
|
5441 1942 TIP3 H1 32.6591608672 8.2415822152 34.4213810071 SOLV 1741 0.0000000000
|
|
5442 1942 TIP3 H2 32.1467274020 7.8332517078 33.0611477388 SOLV 1741 0.0000000000
|
|
5443 1943 TIP3 OH2 24.5870512580 10.0010156675 26.0284299478 SOLV 1742 0.0000000000
|
|
5444 1943 TIP3 H1 24.4279317463 9.5198380636 25.1893212893 SOLV 1742 0.0000000000
|
|
5445 1943 TIP3 H2 25.1901349973 9.3888621217 26.5032911311 SOLV 1742 0.0000000000
|
|
5446 1944 TIP3 OH2 25.8066034569 13.1580194368 28.7334363562 SOLV 1743 0.0000000000
|
|
5447 1944 TIP3 H1 26.1741897479 12.9364461017 27.8697455431 SOLV 1743 0.0000000000
|
|
5448 1944 TIP3 H2 26.5795030115 13.0513771198 29.3124918520 SOLV 1743 0.0000000000
|
|
5449 1945 TIP3 OH2 24.7617355835 9.0618772540 29.9348810640 SOLV 1744 0.0000000000
|
|
5450 1945 TIP3 H1 25.2533223583 8.9124963168 29.0897055381 SOLV 1744 0.0000000000
|
|
5451 1945 TIP3 H2 25.3703573788 9.6622719517 30.4338711435 SOLV 1744 0.0000000000
|
|
5452 1946 TIP3 OH2 31.5571168670 14.3789667280 30.6360108322 SOLV 1745 0.0000000000
|
|
5453 1946 TIP3 H1 31.2872197942 15.1408627874 31.1877084143 SOLV 1745 0.0000000000
|
|
5454 1946 TIP3 H2 31.0463552787 13.6435385382 31.0301456232 SOLV 1745 0.0000000000
|
|
5455 1947 TIP3 OH2 26.0774716105 13.2991423444 34.6086084569 SOLV 1746 0.0000000000
|
|
5456 1947 TIP3 H1 25.3469503012 13.8326270777 35.0021693757 SOLV 1746 0.0000000000
|
|
5457 1947 TIP3 H2 25.6969383573 13.1079384916 33.7247555425 SOLV 1746 0.0000000000
|
|
5458 1948 TIP3 OH2 31.8571917660 8.7812273870 21.9295302670 SOLV 1747 0.0000000000
|
|
5459 1948 TIP3 H1 32.5096372898 9.0871851398 22.6012604991 SOLV 1747 0.0000000000
|
|
5460 1948 TIP3 H2 32.3151994865 9.0560719595 21.0928934948 SOLV 1747 0.0000000000
|
|
5461 1949 TIP3 OH2 23.0948272638 9.2271997927 34.1151390362 SOLV 1748 0.0000000000
|
|
5462 1949 TIP3 H1 23.1420747158 10.0791712254 34.5850087739 SOLV 1748 0.0000000000
|
|
5463 1949 TIP3 H2 22.1445936981 9.0427311944 34.2155790721 SOLV 1748 0.0000000000
|
|
5464 1950 TIP3 OH2 24.1336797838 15.0079488796 35.2329617961 SOLV 1749 0.0000000000
|
|
5465 1950 TIP3 H1 24.0797462131 15.3928746685 34.3312351971 SOLV 1749 0.0000000000
|
|
5466 1950 TIP3 H2 23.1906603770 14.8462219096 35.4480662783 SOLV 1749 0.0000000000
|
|
5467 1951 TIP3 OH2 34.7229746446 0.9389000774 21.0098903240 SOLV 1750 0.0000000000
|
|
5468 1951 TIP3 H1 34.4355061950 1.2539549459 21.8802990151 SOLV 1750 0.0000000000
|
|
5469 1951 TIP3 H2 35.5918950775 1.3977556973 20.9553101909 SOLV 1750 0.0000000000
|
|
5470 1952 TIP3 OH2 23.8529729240 8.9838397449 23.4801740652 SOLV 1751 0.0000000000
|
|
5471 1952 TIP3 H1 23.2991765356 9.7649865094 23.2643616860 SOLV 1751 0.0000000000
|
|
5472 1952 TIP3 H2 23.2392003391 8.2524437860 23.3485997710 SOLV 1751 0.0000000000
|
|
5473 1953 TIP3 OH2 36.8001330333 14.7563075452 20.5214887412 SOLV 1752 0.0000000000
|
|
5474 1953 TIP3 H1 37.1062995026 15.6867677654 20.5229869567 SOLV 1752 0.0000000000
|
|
5475 1953 TIP3 H2 37.6658869803 14.3022126853 20.4306380077 SOLV 1752 0.0000000000
|
|
5476 1954 TIP3 OH2 19.7758249123 11.5718764073 32.9770261676 SOLV 1753 0.0000000000
|
|
5477 1954 TIP3 H1 19.3049795622 11.7822906107 32.1467456228 SOLV 1753 0.0000000000
|
|
5478 1954 TIP3 H2 20.0177388205 10.6428412503 32.8046588340 SOLV 1753 0.0000000000
|
|
5479 1955 TIP3 OH2 19.9871626905 14.1532891827 29.6876415729 SOLV 1754 0.0000000000
|
|
5480 1955 TIP3 H1 20.8545791614 14.1184118960 29.2511287116 SOLV 1754 0.0000000000
|
|
5481 1955 TIP3 H2 20.2202420939 14.6084873967 30.5196457200 SOLV 1754 0.0000000000
|
|
5482 1956 TIP3 OH2 37.4625064507 15.1890367700 35.6912700928 SOLV 1755 0.0000000000
|
|
5483 1956 TIP3 H1 37.4838752629 14.2202893247 35.5796184732 SOLV 1755 0.0000000000
|
|
5484 1956 TIP3 H2 36.4911389745 15.3236626297 35.8221503522 SOLV 1755 0.0000000000
|
|
5485 1957 TIP3 OH2 28.5118992767 14.4039890711 34.0743747201 SOLV 1756 0.0000000000
|
|
5486 1957 TIP3 H1 28.4874648290 15.2900233525 34.4890097278 SOLV 1756 0.0000000000
|
|
5487 1957 TIP3 H2 27.6026323174 14.0678668385 34.2653315572 SOLV 1756 0.0000000000
|
|
5488 1958 TIP3 OH2 34.5777281016 6.2247355021 35.7885701344 SOLV 1757 0.0000000000
|
|
5489 1958 TIP3 H1 34.1093631808 6.5557638682 34.9963482733 SOLV 1757 0.0000000000
|
|
5490 1958 TIP3 H2 34.8152750500 5.3200384362 35.5001183545 SOLV 1757 0.0000000000
|
|
5491 1959 TIP3 OH2 22.0478602514 13.0254033597 33.4830119637 SOLV 1758 0.0000000000
|
|
5492 1959 TIP3 H1 22.1133457466 12.6333435606 34.3746600432 SOLV 1758 0.0000000000
|
|
5493 1959 TIP3 H2 21.2533229008 12.5743453570 33.1285545453 SOLV 1758 0.0000000000
|
|
5494 1960 TIP3 OH2 24.7431314759 1.0166264364 30.3534722421 SOLV 1759 0.0000000000
|
|
5495 1960 TIP3 H1 24.0559567030 0.7850986839 29.6854337023 SOLV 1759 0.0000000000
|
|
5496 1960 TIP3 H2 24.3786090848 1.8486575009 30.6977408659 SOLV 1759 0.0000000000
|
|
5497 1961 TIP3 OH2 29.4234951225 1.6759161938 32.7526333289 SOLV 1760 0.0000000000
|
|
5498 1961 TIP3 H1 29.7559832855 0.8546743098 33.1589528765 SOLV 1760 0.0000000000
|
|
5499 1961 TIP3 H2 28.4664270620 1.4653322781 32.7424585117 SOLV 1760 0.0000000000
|
|
5500 1962 TIP3 OH2 32.3895231756 4.9131449732 34.0431577573 SOLV 1761 0.0000000000
|
|
5501 1962 TIP3 H1 31.7884463051 4.6262487943 34.7710057290 SOLV 1761 0.0000000000
|
|
5502 1962 TIP3 H2 32.3204982484 5.8945621794 34.0647067496 SOLV 1761 0.0000000000
|
|
5503 1963 TIP3 OH2 32.9191368874 9.4303559083 19.6327867411 SOLV 1762 0.0000000000
|
|
5504 1963 TIP3 H1 32.8054839956 9.6385707574 18.6864974621 SOLV 1762 0.0000000000
|
|
5505 1963 TIP3 H2 33.8959070478 9.4581278327 19.6618740057 SOLV 1762 0.0000000000
|
|
5506 1964 TIP3 OH2 28.9116224738 3.4203733822 20.6721273870 SOLV 1763 0.0000000000
|
|
5507 1964 TIP3 H1 28.3187367693 3.2573407783 21.4288339538 SOLV 1763 0.0000000000
|
|
5508 1964 TIP3 H2 28.4500060644 2.8808423766 19.9880894021 SOLV 1763 0.0000000000
|
|
5509 1965 TIP3 OH2 24.6860447398 6.5292822226 30.9441428439 SOLV 1764 0.0000000000
|
|
5510 1965 TIP3 H1 23.9601695575 6.4721331938 31.5925406470 SOLV 1764 0.0000000000
|
|
5511 1965 TIP3 H2 24.5937698817 7.4538912119 30.5959840846 SOLV 1764 0.0000000000
|
|
5512 1966 TIP3 OH2 24.6427911198 6.4968217424 25.9550083264 SOLV 1765 0.0000000000
|
|
5513 1966 TIP3 H1 23.6968750445 6.2847810216 25.8420793410 SOLV 1765 0.0000000000
|
|
5514 1966 TIP3 H2 24.9913887535 6.3241425083 25.0516187594 SOLV 1765 0.0000000000
|
|
5515 1967 TIP3 OH2 30.2960052528 6.7093504280 24.5459353545 SOLV 1766 0.0000000000
|
|
5516 1967 TIP3 H1 30.0116331265 7.5602677451 24.1493620817 SOLV 1766 0.0000000000
|
|
5517 1967 TIP3 H2 30.9028399913 6.3850887054 23.8533045406 SOLV 1766 0.0000000000
|
|
5518 1968 TIP3 OH2 29.4540263393 7.2557640813 35.7091976304 SOLV 1767 0.0000000000
|
|
5519 1968 TIP3 H1 28.9141524065 6.4942439641 35.9900840508 SOLV 1767 0.0000000000
|
|
5520 1968 TIP3 H2 30.2392228267 7.1115293946 36.2794876980 SOLV 1767 0.0000000000
|
|
5521 1969 TIP3 OH2 31.3208149934 6.0428811411 27.1482687940 SOLV 1768 0.0000000000
|
|
5522 1969 TIP3 H1 30.8199323252 6.5221076464 26.4583178030 SOLV 1768 0.0000000000
|
|
5523 1969 TIP3 H2 31.7842101517 5.4091317255 26.5701064424 SOLV 1768 0.0000000000
|
|
5524 1970 TIP3 OH2 22.5083457030 6.2453790196 32.4756084841 SOLV 1769 0.0000000000
|
|
5525 1970 TIP3 H1 22.5217257874 6.7505908815 33.3046586592 SOLV 1769 0.0000000000
|
|
5526 1970 TIP3 H2 21.9575327210 5.4784532796 32.7529075585 SOLV 1769 0.0000000000
|
|
5527 1971 TIP3 OH2 25.2683775868 3.5907504220 19.1819348112 SOLV 1770 0.0000000000
|
|
5528 1971 TIP3 H1 25.1038505704 3.5445490960 20.1525989034 SOLV 1770 0.0000000000
|
|
5529 1971 TIP3 H2 24.9384429596 4.4862003395 18.9713551308 SOLV 1770 0.0000000000
|
|
5530 1972 TIP3 OH2 19.1342708027 3.4645955860 26.7990397825 SOLV 1771 0.0000000000
|
|
5531 1972 TIP3 H1 19.7502614305 3.4546367001 27.5644855529 SOLV 1771 0.0000000000
|
|
5532 1972 TIP3 H2 19.4879868587 4.1808105018 26.2501207409 SOLV 1771 0.0000000000
|
|
5533 1973 TIP3 OH2 19.6445346608 4.5220244926 21.9631330198 SOLV 1772 0.0000000000
|
|
5534 1973 TIP3 H1 20.2839528325 4.9450390510 21.3428909793 SOLV 1772 0.0000000000
|
|
5535 1973 TIP3 H2 18.9829530099 5.2357486492 22.0879496455 SOLV 1772 0.0000000000
|
|
5536 1974 TIP3 OH2 30.5097011086 7.7694355247 31.6902435452 SOLV 1773 0.0000000000
|
|
5537 1974 TIP3 H1 30.9279793605 7.0646693504 31.1444726273 SOLV 1773 0.0000000000
|
|
5538 1974 TIP3 H2 29.8196101178 7.2592334461 32.1596081257 SOLV 1773 0.0000000000
|
|
5539 1975 TIP3 OH2 27.7080778177 4.3713400000 26.8829419759 SOLV 1774 0.0000000000
|
|
5540 1975 TIP3 H1 26.8476252769 4.0406054474 27.1938025010 SOLV 1774 0.0000000000
|
|
5541 1975 TIP3 H2 28.2928965475 3.8410856636 27.4608672407 SOLV 1774 0.0000000000
|
|
5542 1976 TIP3 OH2 21.9996220064 5.6981548325 25.6332682932 SOLV 1775 0.0000000000
|
|
5543 1976 TIP3 H1 21.2838673680 5.9895981621 25.0359878775 SOLV 1775 0.0000000000
|
|
5544 1976 TIP3 H2 22.3379375645 4.8848412606 25.2013513801 SOLV 1775 0.0000000000
|
|
5545 1977 TIP3 OH2 25.3060809550 5.5452102021 23.2805767579 SOLV 1776 0.0000000000
|
|
5546 1977 TIP3 H1 26.2802091600 5.5630613144 23.3089464216 SOLV 1776 0.0000000000
|
|
5547 1977 TIP3 H2 25.1176665699 6.0846713598 22.4849944125 SOLV 1776 0.0000000000
|
|
5548 1978 TIP3 OH2 31.5385278373 3.2057000820 29.7857630291 SOLV 1777 0.0000000000
|
|
5549 1978 TIP3 H1 31.1921313033 3.3922127905 30.6848148782 SOLV 1777 0.0000000000
|
|
5550 1978 TIP3 H2 30.7059671827 3.1000550645 29.2717576546 SOLV 1777 0.0000000000
|
|
5551 1979 TIP3 OH2 24.9422935423 6.6914782389 20.8047467752 SOLV 1778 0.0000000000
|
|
5552 1979 TIP3 H1 24.4966360127 6.4119642591 19.9846167881 SOLV 1778 0.0000000000
|
|
5553 1979 TIP3 H2 25.7076030414 7.1693755652 20.4190230131 SOLV 1778 0.0000000000
|
|
5554 1980 TIP3 OH2 35.1605880449 18.6715178991 36.6799339262 SOLV 1779 0.0000000000
|
|
5555 1980 TIP3 H1 35.4448491297 18.8732538522 35.7730115286 SOLV 1779 0.0000000000
|
|
5556 1980 TIP3 H2 35.8705609594 19.1180456022 37.1721813980 SOLV 1779 0.0000000000
|
|
5557 1981 TIP3 OH2 22.6370510286 11.3168652616 35.9152153797 SOLV 1780 0.0000000000
|
|
5558 1981 TIP3 H1 23.4497543811 11.3457929061 36.4529081818 SOLV 1780 0.0000000000
|
|
5559 1981 TIP3 H2 21.9636116318 11.6353331465 36.5509284019 SOLV 1780 0.0000000000
|
|
5560 1982 TIP3 OH2 28.3884663318 6.9423477160 28.7427749427 SOLV 1781 0.0000000000
|
|
5561 1982 TIP3 H1 29.0762588921 6.3160811273 28.4829699213 SOLV 1781 0.0000000000
|
|
5562 1982 TIP3 H2 27.9104662393 6.4656713015 29.4530634513 SOLV 1781 0.0000000000
|
|
5563 1983 TIP3 OH2 23.4777402796 3.1398095412 25.3453590968 SOLV 1782 0.0000000000
|
|
5564 1983 TIP3 H1 22.8936471987 2.4402797668 25.6799417739 SOLV 1782 0.0000000000
|
|
5565 1983 TIP3 H2 24.2008745254 2.6020113828 24.9789139228 SOLV 1782 0.0000000000
|
|
5566 1984 TIP3 OH2 27.3292762928 5.7969466822 31.0084515937 SOLV 1783 0.0000000000
|
|
5567 1984 TIP3 H1 26.4416483682 6.1639383775 31.2053277297 SOLV 1783 0.0000000000
|
|
5568 1984 TIP3 H2 27.8725763257 6.0863091791 31.7620158494 SOLV 1783 0.0000000000
|
|
5569 1985 TIP3 OH2 27.9058801727 11.1144527867 22.7543260681 SOLV 1784 0.0000000000
|
|
5570 1985 TIP3 H1 27.1450145743 10.7463230020 22.2543629238 SOLV 1784 0.0000000000
|
|
5571 1985 TIP3 H2 27.4081407159 11.5381446026 23.4945136470 SOLV 1784 0.0000000000
|
|
5572 1986 TIP3 OH2 35.0051532089 10.8180386512 31.2529257545 SOLV 1785 0.0000000000
|
|
5573 1986 TIP3 H1 35.7005338690 11.3358732158 30.7879407186 SOLV 1785 0.0000000000
|
|
5574 1986 TIP3 H2 34.2801698869 10.7645014824 30.6051300232 SOLV 1785 0.0000000000
|
|
5575 1987 TIP3 OH2 31.4037785162 3.8916421179 21.3860460786 SOLV 1786 0.0000000000
|
|
5576 1987 TIP3 H1 30.4699199900 3.9197262878 21.0707160987 SOLV 1786 0.0000000000
|
|
5577 1987 TIP3 H2 31.6290743351 4.8335452984 21.5293557378 SOLV 1786 0.0000000000
|
|
5578 1988 TIP3 OH2 29.0403224669 11.6984518134 33.9022483536 SOLV 1787 0.0000000000
|
|
5579 1988 TIP3 H1 29.3513328138 11.3440504867 34.7399268502 SOLV 1787 0.0000000000
|
|
5580 1988 TIP3 H2 28.9216702994 12.6514254602 34.0973084228 SOLV 1787 0.0000000000
|
|
5581 1989 TIP3 OH2 32.2585780159 6.1876259177 22.5169750546 SOLV 1788 0.0000000000
|
|
5582 1989 TIP3 H1 33.1399203384 6.1681665097 22.9220227330 SOLV 1788 0.0000000000
|
|
5583 1989 TIP3 H2 32.2575136159 6.9972627647 21.9760863886 SOLV 1788 0.0000000000
|
|
5584 1990 TIP3 OH2 22.9003916685 10.4779748219 28.2460920151 SOLV 1789 0.0000000000
|
|
5585 1990 TIP3 H1 23.5148335353 10.4930679889 27.4835908733 SOLV 1789 0.0000000000
|
|
5586 1990 TIP3 H2 23.4196725775 10.0202824232 28.9267965517 SOLV 1789 0.0000000000
|
|
5587 1991 TIP3 OH2 29.5979243325 13.0498209115 21.8378818967 SOLV 1790 0.0000000000
|
|
5588 1991 TIP3 H1 29.9705593300 13.3543122154 22.6791364956 SOLV 1790 0.0000000000
|
|
5589 1991 TIP3 H2 29.0914978199 12.2863297076 22.1763410757 SOLV 1790 0.0000000000
|
|
5590 1992 TIP3 OH2 20.0435079745 8.6826165724 33.6008575575 SOLV 1791 0.0000000000
|
|
5591 1992 TIP3 H1 19.6884177370 8.3744047929 34.4626388937 SOLV 1791 0.0000000000
|
|
5592 1992 TIP3 H2 19.2490805742 8.6040099141 33.0431705663 SOLV 1791 0.0000000000
|
|
5593 1993 TIP3 OH2 27.2009284970 8.8260948417 35.8832895604 SOLV 1792 0.0000000000
|
|
5594 1993 TIP3 H1 26.5998584533 8.3197197663 35.3010325505 SOLV 1792 0.0000000000
|
|
5595 1993 TIP3 H2 28.0240782982 8.3129833528 35.7897390619 SOLV 1792 0.0000000000
|
|
5596 1994 TIP3 OH2 31.4826126730 14.2101575665 34.1216905644 SOLV 1793 0.0000000000
|
|
5597 1994 TIP3 H1 30.5743774998 14.3400294558 33.8145853287 SOLV 1793 0.0000000000
|
|
5598 1994 TIP3 H2 31.4224949399 14.6705412267 34.9853868725 SOLV 1793 0.0000000000
|
|
5599 1995 TIP3 OH2 36.8445318550 6.5450537766 22.2937194475 SOLV 1794 0.0000000000
|
|
5600 1995 TIP3 H1 36.3734567476 6.3577505926 21.4431421607 SOLV 1794 0.0000000000
|
|
5601 1995 TIP3 H2 37.0864978269 7.4855728263 22.0876356272 SOLV 1794 0.0000000000
|
|
5602 1996 TIP3 OH2 37.3273070373 12.3388528204 35.1153928904 SOLV 1795 0.0000000000
|
|
5603 1996 TIP3 H1 36.4902714171 12.4287722101 34.6190767410 SOLV 1795 0.0000000000
|
|
5604 1996 TIP3 H2 37.9203720436 12.0759498453 34.3625254091 SOLV 1795 0.0000000000
|
|
5605 1997 TIP3 OH2 35.1411068977 15.2331336984 22.6068927673 SOLV 1796 0.0000000000
|
|
5606 1997 TIP3 H1 34.9399146686 14.3440360307 22.8910373609 SOLV 1796 0.0000000000
|
|
5607 1997 TIP3 H2 35.6872783071 15.0978882585 21.8073672980 SOLV 1796 0.0000000000
|
|
5608 1998 TIP3 OH2 32.8358768412 10.1424652105 29.4435365020 SOLV 1797 0.0000000000
|
|
5609 1998 TIP3 H1 31.8711228011 10.0288745000 29.3698644747 SOLV 1797 0.0000000000
|
|
5610 1998 TIP3 H2 33.1512442054 9.3081801351 29.0493578299 SOLV 1797 0.0000000000
|
|
5611 1999 TIP3 OH2 25.4682012519 14.2474319264 26.0133543261 SOLV 1798 0.0000000000
|
|
5612 1999 TIP3 H1 25.8930933626 14.9782102966 26.4727245077 SOLV 1798 0.0000000000
|
|
5613 1999 TIP3 H2 24.5437573748 14.3542314675 26.2844815896 SOLV 1798 0.0000000000
|
|
5614 2000 TIP3 OH2 21.1438881658 8.9562585948 20.6699855441 SOLV 1799 0.0000000000
|
|
5615 2000 TIP3 H1 21.6060780086 9.4453822708 21.3694541639 SOLV 1799 0.0000000000
|
|
5616 2000 TIP3 H2 20.2192988487 8.9366785105 20.9989617582 SOLV 1799 0.0000000000
|
|
5617 2001 TIP3 OH2 26.3636633467 11.9773329558 24.7803405337 SOLV 1800 0.0000000000
|
|
5618 2001 TIP3 H1 26.1484112095 12.8664193689 25.1283671449 SOLV 1800 0.0000000000
|
|
5619 2001 TIP3 H2 25.7213018828 11.4329194164 25.2678172425 SOLV 1800 0.0000000000
|
|
5620 2002 TIP3 OH2 27.2668523098 15.9022273237 31.9878429886 SOLV 1801 0.0000000000
|
|
5621 2002 TIP3 H1 27.8646435434 16.5485436901 31.5739365766 SOLV 1801 0.0000000000
|
|
5622 2002 TIP3 H2 27.8797556163 15.4570931669 32.6012586576 SOLV 1801 0.0000000000
|
|
5623 2003 TIP3 OH2 30.3684143596 12.0234845849 31.5274315338 SOLV 1802 0.0000000000
|
|
5624 2003 TIP3 H1 29.9575858685 11.9543380708 32.4258087165 SOLV 1802 0.0000000000
|
|
5625 2003 TIP3 H2 31.1522651314 11.4737430200 31.6460103894 SOLV 1802 0.0000000000
|
|
5626 2004 TIP3 OH2 33.2357283562 13.1649014420 20.8298855023 SOLV 1803 0.0000000000
|
|
5627 2004 TIP3 H1 33.5903183137 12.8228622397 21.6676890337 SOLV 1803 0.0000000000
|
|
5628 2004 TIP3 H2 32.3001207558 12.9254674187 20.8958690713 SOLV 1803 0.0000000000
|
|
5629 2005 TIP3 OH2 33.3894005953 16.6319262046 33.6788697292 SOLV 1804 0.0000000000
|
|
5630 2005 TIP3 H1 32.5363517194 16.3170110915 33.3190136439 SOLV 1804 0.0000000000
|
|
5631 2005 TIP3 H2 33.6665937645 17.2295286963 32.9686153630 SOLV 1804 0.0000000000
|
|
5632 2006 TIP3 OH2 37.5684495211 17.5986484476 20.7527286510 SOLV 1805 0.0000000000
|
|
5633 2006 TIP3 H1 38.0905919918 18.3540584640 21.1047311787 SOLV 1805 0.0000000000
|
|
5634 2006 TIP3 H2 37.2567023580 18.0185469023 19.9407126288 SOLV 1805 0.0000000000
|
|
5635 2007 TIP3 OH2 21.5350027576 3.8027079696 33.3516559514 SOLV 1806 0.0000000000
|
|
5636 2007 TIP3 H1 20.6780149275 3.4198204551 33.0951734062 SOLV 1806 0.0000000000
|
|
5637 2007 TIP3 H2 21.7198027371 3.2764379171 34.1743118229 SOLV 1806 0.0000000000
|
|
5638 2008 TIP3 OH2 34.2011390169 11.8612615289 23.1395706578 SOLV 1807 0.0000000000
|
|
5639 2008 TIP3 H1 33.9471479905 10.9622503732 23.4513815747 SOLV 1807 0.0000000000
|
|
5640 2008 TIP3 H2 35.1681646676 11.7738007935 23.0893702253 SOLV 1807 0.0000000000
|
|
5641 2009 TIP3 OH2 21.0561539412 15.1788975189 32.0279326633 SOLV 1808 0.0000000000
|
|
5642 2009 TIP3 H1 21.7100444107 14.5560876138 32.4156494895 SOLV 1808 0.0000000000
|
|
5643 2009 TIP3 H2 21.4625530412 16.0468227988 32.1047084301 SOLV 1808 0.0000000000
|
|
5644 2010 TIP3 OH2 25.7434893285 14.1251440690 21.4719259680 SOLV 1809 0.0000000000
|
|
5645 2010 TIP3 H1 26.0929893300 13.3244138314 21.8834242720 SOLV 1809 0.0000000000
|
|
5646 2010 TIP3 H2 25.9165844162 14.7745342049 22.1631411560 SOLV 1809 0.0000000000
|
|
5647 2011 TIP3 OH2 22.2675994758 10.8881574427 22.2311258432 SOLV 1810 0.0000000000
|
|
5648 2011 TIP3 H1 21.4058196703 11.3261351986 22.4253806703 SOLV 1810 0.0000000000
|
|
5649 2011 TIP3 H2 22.6858635226 11.5425273954 21.6369070480 SOLV 1810 0.0000000000
|
|
5650 2012 TIP3 OH2 30.5875503773 4.0398723156 32.1390401140 SOLV 1811 0.0000000000
|
|
5651 2012 TIP3 H1 31.2895948982 4.0858192545 32.8303478312 SOLV 1811 0.0000000000
|
|
5652 2012 TIP3 H2 30.1586522443 3.1804844551 32.3576963700 SOLV 1811 0.0000000000
|
|
5653 2013 TIP3 OH2 31.1358228141 2.8212785359 23.8165711259 SOLV 1812 0.0000000000
|
|
5654 2013 TIP3 H1 31.1749823649 3.2141185945 22.9108332039 SOLV 1812 0.0000000000
|
|
5655 2013 TIP3 H2 31.6242355688 3.4888321621 24.3452471061 SOLV 1812 0.0000000000
|
|
5656 2014 TIP3 OH2 27.8306242360 5.2578763822 24.2871909713 SOLV 1813 0.0000000000
|
|
5657 2014 TIP3 H1 28.5075430195 5.9495189745 24.3432361153 SOLV 1813 0.0000000000
|
|
5658 2014 TIP3 H2 27.7064446878 5.0279649667 25.2307145546 SOLV 1813 0.0000000000
|
|
5659 2015 TIP3 OH2 28.8942531130 5.9559929381 33.3088371525 SOLV 1814 0.0000000000
|
|
5660 2015 TIP3 H1 29.1777160097 6.3122193447 34.1673883887 SOLV 1814 0.0000000000
|
|
5661 2015 TIP3 H2 29.4407492021 5.1509545554 33.1900898828 SOLV 1814 0.0000000000
|
|
5662 2016 TIP3 OH2 28.7546172081 2.2168603623 25.0153385605 SOLV 1815 0.0000000000
|
|
5663 2016 TIP3 H1 28.9820935903 2.8331130298 25.7240521988 SOLV 1815 0.0000000000
|
|
5664 2016 TIP3 H2 29.5962797467 2.2260268238 24.5076356341 SOLV 1815 0.0000000000
|
|
5665 2017 TIP3 OH2 24.8001733528 3.2454871368 21.7675417908 SOLV 1816 0.0000000000
|
|
5666 2017 TIP3 H1 24.6163934787 3.9754057755 22.3888821582 SOLV 1816 0.0000000000
|
|
5667 2017 TIP3 H2 25.6694282967 2.9516897965 22.1229237386 SOLV 1816 0.0000000000
|
|
5668 2018 TIP3 OH2 34.8738518245 3.8667688250 34.0752493211 SOLV 1817 0.0000000000
|
|
5669 2018 TIP3 H1 33.9225784469 4.1132013534 34.0064029713 SOLV 1817 0.0000000000
|
|
5670 2018 TIP3 H2 35.0683187163 3.5932631824 33.1668067540 SOLV 1817 0.0000000000
|
|
5671 2019 TIP3 OH2 33.4528880146 7.6530627308 28.0698367229 SOLV 1818 0.0000000000
|
|
5672 2019 TIP3 H1 32.6081031570 7.2002876277 27.9308414864 SOLV 1818 0.0000000000
|
|
5673 2019 TIP3 H2 33.8833471299 7.0166863938 28.6934835894 SOLV 1818 0.0000000000
|
|
5674 2020 TIP3 OH2 23.1769844417 13.1062001017 20.6034159886 SOLV 1819 0.0000000000
|
|
5675 2020 TIP3 H1 23.9516395708 13.5823111367 20.9707082561 SOLV 1819 0.0000000000
|
|
5676 2020 TIP3 H2 23.6280513891 12.5699543098 19.9105543966 SOLV 1819 0.0000000000
|
|
5677 2021 TIP3 OH2 21.0010067859 6.2794926704 20.1110839166 SOLV 1820 0.0000000000
|
|
5678 2021 TIP3 H1 21.3462457581 7.1724998795 20.2990673052 SOLV 1820 0.0000000000
|
|
5679 2021 TIP3 H2 20.4489284147 6.4008052808 19.3291610364 SOLV 1820 0.0000000000
|
|
5680 2022 TIP3 OH2 22.6578367657 0.7909367607 28.4858467487 SOLV 1821 0.0000000000
|
|
5681 2022 TIP3 H1 22.2544537100 1.0106135309 27.6222839009 SOLV 1821 0.0000000000
|
|
5682 2022 TIP3 H2 22.4466462351 -0.1662533886 28.4925633688 SOLV 1821 0.0000000000
|
|
5683 2023 TIP3 OH2 20.4415060062 18.0440414777 36.3605922746 SOLV 1822 0.0000000000
|
|
5684 2023 TIP3 H1 21.0014731615 17.7188524879 37.1067051145 SOLV 1822 0.0000000000
|
|
5685 2023 TIP3 H2 20.0660483511 17.2036341825 36.0668487868 SOLV 1822 0.0000000000
|
|
5686 2024 TIP3 OH2 24.7063683346 16.1821704772 37.6015521950 SOLV 1823 0.0000000000
|
|
5687 2024 TIP3 H1 25.5077902938 15.7399592835 37.9435789582 SOLV 1823 0.0000000000
|
|
5688 2024 TIP3 H2 24.6239694504 15.7920846223 36.7004374490 SOLV 1823 0.0000000000
|
|
5689 2025 TIP3 OH2 31.1920668208 15.0261178662 36.6559870272 SOLV 1824 0.0000000000
|
|
5690 2025 TIP3 H1 30.9839921380 14.1319182602 37.0199044215 SOLV 1824 0.0000000000
|
|
5691 2025 TIP3 H2 32.0334131263 15.2283129204 37.1125479323 SOLV 1824 0.0000000000
|
|
5692 2026 TIP3 OH2 33.1078919853 15.9285883232 19.0786442674 SOLV 1825 0.0000000000
|
|
5693 2026 TIP3 H1 33.5679251807 15.5204486860 19.8307526407 SOLV 1825 0.0000000000
|
|
5694 2026 TIP3 H2 33.7944382904 15.8797289427 18.3630525186 SOLV 1825 0.0000000000
|
|
5695 2027 TIP3 OH2 20.1003065435 11.5913297682 37.2030126274 SOLV 1826 0.0000000000
|
|
5696 2027 TIP3 H1 20.0375207136 10.6385045206 37.0690284553 SOLV 1826 0.0000000000
|
|
5697 2027 TIP3 H2 19.5790766032 11.9281419218 36.4423184104 SOLV 1826 0.0000000000
|
|
5698 2028 TIP3 OH2 24.5289891934 11.3821970525 19.0987366360 SOLV 1827 0.0000000000
|
|
5699 2028 TIP3 H1 24.8592042513 10.9315079397 19.8974270855 SOLV 1827 0.0000000000
|
|
5700 2028 TIP3 H2 25.3561981134 11.3671928680 18.5740156201 SOLV 1827 0.0000000000
|
|
5701 2029 TIP3 OH2 26.9007008199 11.5328267786 36.5564579311 SOLV 1828 0.0000000000
|
|
5702 2029 TIP3 H1 26.8038648960 12.0334731073 35.7165386708 SOLV 1828 0.0000000000
|
|
5703 2029 TIP3 H2 27.1828932652 10.6408689253 36.2546534482 SOLV 1828 0.0000000000
|
|
5704 2030 TIP3 OH2 30.1958717332 12.7978643496 19.1992124662 SOLV 1829 0.0000000000
|
|
5705 2030 TIP3 H1 29.9449008395 12.7768341727 20.1521291639 SOLV 1829 0.0000000000
|
|
5706 2030 TIP3 H2 30.2538624446 11.8319239738 19.0146154293 SOLV 1829 0.0000000000
|
|
5707 2031 TIP3 OH2 32.3789935224 11.5547188585 34.2079712527 SOLV 1830 0.0000000000
|
|
5708 2031 TIP3 H1 33.2522983517 11.9850577735 34.1092386986 SOLV 1830 0.0000000000
|
|
5709 2031 TIP3 H2 31.8277081516 12.3594086425 34.1481175157 SOLV 1830 0.0000000000
|
|
5710 2032 TIP3 OH2 21.1418885240 8.6728518767 36.8413753472 SOLV 1831 0.0000000000
|
|
5711 2032 TIP3 H1 22.0438711494 8.9435181739 36.6086163543 SOLV 1831 0.0000000000
|
|
5712 2032 TIP3 H2 21.1240222530 8.8562732226 37.8079709291 SOLV 1831 0.0000000000
|
|
5713 2033 TIP3 OH2 25.7336735528 10.0982941751 21.4084293124 SOLV 1832 0.0000000000
|
|
5714 2033 TIP3 H1 25.1167465388 9.6519031641 22.0196060729 SOLV 1832 0.0000000000
|
|
5715 2033 TIP3 H2 26.0842299307 9.3223715146 20.9232875950 SOLV 1832 0.0000000000
|
|
5716 2034 TIP3 OH2 25.2024920374 7.6242091600 34.0379523828 SOLV 1833 0.0000000000
|
|
5717 2034 TIP3 H1 24.4529365766 8.2557571996 34.0932410315 SOLV 1833 0.0000000000
|
|
5718 2034 TIP3 H2 25.7262490099 8.0619112200 33.3315072115 SOLV 1833 0.0000000000
|
|
5719 2035 TIP3 OH2 26.9631871295 8.1007895260 19.7557476300 SOLV 1834 0.0000000000
|
|
5720 2035 TIP3 H1 27.0499528114 8.2694415935 18.7914907123 SOLV 1834 0.0000000000
|
|
5721 2035 TIP3 H2 27.9020834184 8.0161685309 20.0210609419 SOLV 1834 0.0000000000
|
|
5722 2036 TIP3 OH2 30.3604648369 10.2439835623 37.2075512781 SOLV 1835 0.0000000000
|
|
5723 2036 TIP3 H1 30.9438913987 9.7120967485 36.6534092348 SOLV 1835 0.0000000000
|
|
5724 2036 TIP3 H2 29.8636715439 9.5607109992 37.7003855933 SOLV 1835 0.0000000000
|
|
5725 2037 TIP3 OH2 35.7019347193 10.0893118323 19.5730204780 SOLV 1836 0.0000000000
|
|
5726 2037 TIP3 H1 35.8880798012 9.9389079338 18.6160018921 SOLV 1836 0.0000000000
|
|
5727 2037 TIP3 H2 35.6724121734 11.0709233726 19.5991496301 SOLV 1836 0.0000000000
|
|
5728 2038 TIP3 OH2 25.3622978271 5.1477618410 34.8772400820 SOLV 1837 0.0000000000
|
|
5729 2038 TIP3 H1 25.6284371001 4.6488956152 34.0754719594 SOLV 1837 0.0000000000
|
|
5730 2038 TIP3 H2 25.2763581944 6.0592504451 34.5029911880 SOLV 1837 0.0000000000
|
|
5731 2039 TIP3 OH2 25.9725281199 3.8609925613 32.5998544613 SOLV 1838 0.0000000000
|
|
5732 2039 TIP3 H1 26.5453181462 4.3199953014 31.9532399184 SOLV 1838 0.0000000000
|
|
5733 2039 TIP3 H2 25.1342028203 3.7967570688 32.0922433872 SOLV 1838 0.0000000000
|
|
5734 2040 TIP3 OH2 27.0162998807 8.8542080501 32.6399864364 SOLV 1839 0.0000000000
|
|
5735 2040 TIP3 H1 27.9620450341 9.0660125814 32.6490080501 SOLV 1839 0.0000000000
|
|
5736 2040 TIP3 H2 26.6243719278 9.6673624807 32.2572991122 SOLV 1839 0.0000000000
|
|
5737 2041 TIP3 OH2 31.5029465325 6.6159218124 37.4942892360 SOLV 1840 0.0000000000
|
|
5738 2041 TIP3 H1 31.5697014923 5.6464006751 37.3977423456 SOLV 1840 0.0000000000
|
|
5739 2041 TIP3 H2 32.3618561943 6.9071836508 37.1499737401 SOLV 1840 0.0000000000
|
|
5740 2042 TIP3 OH2 33.1713594539 9.4207754807 35.7287348798 SOLV 1841 0.0000000000
|
|
5741 2042 TIP3 H1 32.8956065036 10.2202929822 35.2289965179 SOLV 1841 0.0000000000
|
|
5742 2042 TIP3 H2 34.1439863731 9.5425630622 35.7132741439 SOLV 1841 0.0000000000
|
|
5743 2043 TIP3 OH2 24.0486362861 5.8025197449 37.1086640322 SOLV 1842 0.0000000000
|
|
5744 2043 TIP3 H1 23.1623621324 5.3755057366 37.0120243853 SOLV 1842 0.0000000000
|
|
5745 2043 TIP3 H2 24.3983934557 5.7296700738 36.1974682007 SOLV 1842 0.0000000000
|
|
5746 2044 TIP3 OH2 26.6640896686 1.2392817661 32.9556566733 SOLV 1843 0.0000000000
|
|
5747 2044 TIP3 H1 26.4074044918 2.1832100447 33.0534295315 SOLV 1843 0.0000000000
|
|
5748 2044 TIP3 H2 26.0187305362 0.9685375283 32.2940349340 SOLV 1843 0.0000000000
|
|
5749 2045 TIP3 OH2 27.8249340258 5.1034850025 36.5630202498 SOLV 1844 0.0000000000
|
|
5750 2045 TIP3 H1 27.4306313699 4.6616406770 37.3359561349 SOLV 1844 0.0000000000
|
|
5751 2045 TIP3 H2 27.1138039199 4.9966232930 35.8990880545 SOLV 1844 0.0000000000
|
|
5752 2046 TIP3 OH2 30.5735410613 4.3410848121 35.8400893621 SOLV 1845 0.0000000000
|
|
5753 2046 TIP3 H1 29.6153525472 4.3182411675 36.0130051610 SOLV 1845 0.0000000000
|
|
5754 2046 TIP3 H2 30.9097564334 3.7112881311 36.5142443758 SOLV 1845 0.0000000000
|
|
5755 2047 TIP3 OH2 32.2328492328 2.9342769505 37.7512167730 SOLV 1846 0.0000000000
|
|
5756 2047 TIP3 H1 32.1357203429 1.9592896455 37.7074937327 SOLV 1846 0.0000000000
|
|
5757 2047 TIP3 H2 31.8804919360 3.0982385050 38.6415604560 SOLV 1846 0.0000000000
|
|
5758 2048 TIP3 OH2 21.8909941917 4.1515779303 37.0925209812 SOLV 1847 0.0000000000
|
|
5759 2048 TIP3 H1 21.9286951758 3.3903180845 36.4797197166 SOLV 1847 0.0000000000
|
|
5760 2048 TIP3 H2 21.7369620949 3.7234793923 37.9510692733 SOLV 1847 0.0000000000
|
|
5761 2049 TIP3 OH2 27.4964151878 0.5326294671 35.4791854791 SOLV 1848 0.0000000000
|
|
5762 2049 TIP3 H1 26.9661420290 -0.2700747038 35.6406344590 SOLV 1848 0.0000000000
|
|
5763 2049 TIP3 H2 27.1656619974 0.8027441092 34.5941010740 SOLV 1848 0.0000000000
|
|
5764 2050 TIP3 OH2 27.5944518806 1.9728035714 37.7657736462 SOLV 1849 0.0000000000
|
|
5765 2050 TIP3 H1 27.5288043608 1.3109867725 37.0506909983 SOLV 1849 0.0000000000
|
|
5766 2050 TIP3 H2 26.7278467573 2.4092864472 37.7088183442 SOLV 1849 0.0000000000
|
|
5767 2051 TIP3 OH2 20.4724762159 13.4891569606 20.3115089569 SOLV 1850 0.0000000000
|
|
5768 2051 TIP3 H1 21.4407678494 13.3947969793 20.4791961053 SOLV 1850 0.0000000000
|
|
5769 2051 TIP3 H2 20.3896883804 12.9093440799 19.5206013321 SOLV 1850 0.0000000000
|
|
5770 2052 TIP3 OH2 36.9648382865 18.0679248166 30.8724087306 SOLV 1851 0.0000000000
|
|
5771 2052 TIP3 H1 37.2746182183 17.5492369750 31.6212173842 SOLV 1851 0.0000000000
|
|
5772 2052 TIP3 H2 37.6275162184 17.8661824132 30.1854139917 SOLV 1851 0.0000000000
|
|
5773 2053 TIP3 OH2 36.9482901784 16.7525230797 33.4440728242 SOLV 1852 0.0000000000
|
|
5774 2053 TIP3 H1 36.4479895099 16.0459784911 32.9711373244 SOLV 1852 0.0000000000
|
|
5775 2053 TIP3 H2 37.3266533913 16.2422136653 34.1783332693 SOLV 1852 0.0000000000
|
|
5776 2054 TIP3 OH2 35.3310187624 12.5953420672 38.0947723988 SOLV 1853 0.0000000000
|
|
5777 2054 TIP3 H1 34.5286728522 12.7506176165 38.6324765298 SOLV 1853 0.0000000000
|
|
5778 2054 TIP3 H2 35.8863698516 13.3500740167 38.3746536107 SOLV 1853 0.0000000000
|
|
5779 2055 TIP3 OH2 36.9130027679 11.0884386460 23.1734288740 SOLV 1854 0.0000000000
|
|
5780 2055 TIP3 H1 37.7241979578 11.6502570631 23.2488343011 SOLV 1854 0.0000000000
|
|
5781 2055 TIP3 H2 36.9679361752 10.5824756519 24.0046761465 SOLV 1854 0.0000000000
|
|
5782 2056 TIP3 OH2 37.3357526491 9.2529414238 25.2687787210 SOLV 1855 0.0000000000
|
|
5783 2056 TIP3 H1 36.4864120136 8.9168092803 25.6225590709 SOLV 1855 0.0000000000
|
|
5784 2056 TIP3 H2 37.9218212653 9.2765113886 26.0784032502 SOLV 1855 0.0000000000
|
|
5785 2057 TIP3 OH2 37.2431719396 12.0899472368 30.5703635906 SOLV 1856 0.0000000000
|
|
5786 2057 TIP3 H1 37.6883067496 11.3893592026 30.0229227733 SOLV 1856 0.0000000000
|
|
5787 2057 TIP3 H2 37.6325700396 12.8953660777 30.1660401214 SOLV 1856 0.0000000000
|
|
5788 2058 TIP3 OH2 35.3953090552 14.8034406322 32.3883157745 SOLV 1857 0.0000000000
|
|
5789 2058 TIP3 H1 34.6226941478 15.1769818274 32.8333671558 SOLV 1857 0.0000000000
|
|
5790 2058 TIP3 H2 35.0211400591 14.5739906001 31.5088085722 SOLV 1857 0.0000000000
|
|
5791 2059 TIP3 OH2 37.4235303726 9.0305865103 21.4118500232 SOLV 1858 0.0000000000
|
|
5792 2059 TIP3 H1 36.7046938583 9.2576846836 20.7827138335 SOLV 1858 0.0000000000
|
|
5793 2059 TIP3 H2 37.3441298633 9.8124946063 22.0126379421 SOLV 1858 0.0000000000
|
|
5794 2060 TIP3 OH2 35.6401723493 6.2994717624 19.8371147806 SOLV 1859 0.0000000000
|
|
5795 2060 TIP3 H1 35.6090324949 6.7348496941 18.9814938355 SOLV 1859 0.0000000000
|
|
5796 2060 TIP3 H2 35.2886020282 5.4121210104 19.5756414246 SOLV 1859 0.0000000000
|
|
5797 2061 TIP3 OH2 34.9096928671 8.0827104305 25.6889404480 SOLV 1860 0.0000000000
|
|
5798 2061 TIP3 H1 34.7395785439 7.2281354202 25.2665772404 SOLV 1860 0.0000000000
|
|
5799 2061 TIP3 H2 34.5317187933 7.9323965067 26.5817574539 SOLV 1860 0.0000000000
|
|
5800 2062 TIP3 OH2 19.7529729399 9.8027853593 29.9155151231 SOLV 1861 0.0000000000
|
|
5801 2062 TIP3 H1 19.7224426895 9.5386913576 28.9702411610 SOLV 1861 0.0000000000
|
|
5802 2062 TIP3 H2 20.6015700344 9.3726343616 30.1995775420 SOLV 1861 0.0000000000
|
|
5803 2063 TIP3 OH2 35.9696581537 9.7341110216 35.7255055981 SOLV 1862 0.0000000000
|
|
5804 2063 TIP3 H1 36.4813190433 8.9368702280 35.4581376841 SOLV 1862 0.0000000000
|
|
5805 2063 TIP3 H2 36.5910896743 10.4798927907 35.6125444299 SOLV 1862 0.0000000000
|
|
5806 2064 TIP3 OH2 37.0777623461 7.2918692763 35.2085206187 SOLV 1863 0.0000000000
|
|
5807 2064 TIP3 H1 36.2340532184 7.0044421290 35.6151822346 SOLV 1863 0.0000000000
|
|
5808 2064 TIP3 H2 37.6550934428 6.5215131904 35.3789942069 SOLV 1863 0.0000000000
|
|
5809 2065 TIP3 OH2 34.6546402116 3.8335109050 19.0191267214 SOLV 1864 0.0000000000
|
|
5810 2065 TIP3 H1 35.2643256916 3.3366676693 19.5937714693 SOLV 1864 0.0000000000
|
|
5811 2065 TIP3 H2 33.8875753972 3.2550394211 19.0211564881 SOLV 1864 0.0000000000
|
|
5812 2066 TIP3 OH2 34.7886102585 5.6316126167 23.9444767473 SOLV 1865 0.0000000000
|
|
5813 2066 TIP3 H1 35.0472361909 4.6898257595 24.0395220244 SOLV 1865 0.0000000000
|
|
5814 2066 TIP3 H2 35.5321648926 5.9478924741 23.3936310146 SOLV 1865 0.0000000000
|
|
5815 2067 TIP3 OH2 34.8383213356 5.8268351961 29.5169965720 SOLV 1866 0.0000000000
|
|
5816 2067 TIP3 H1 35.7930834428 5.8296124952 29.2741644709 SOLV 1866 0.0000000000
|
|
5817 2067 TIP3 H2 34.9259183984 5.9713119260 30.4786524622 SOLV 1866 0.0000000000
|
|
5818 2068 TIP3 OH2 35.1724420588 6.6995100726 32.1827896083 SOLV 1867 0.0000000000
|
|
5819 2068 TIP3 H1 34.3138941681 7.0646536475 32.4578931718 SOLV 1867 0.0000000000
|
|
5820 2068 TIP3 H2 35.6961745433 7.5099364642 31.9758342954 SOLV 1867 0.0000000000
|
|
5821 2069 TIP3 OH2 19.4083314570 4.9248006418 35.8490460363 SOLV 1868 0.0000000000
|
|
5822 2069 TIP3 H1 20.2942115617 4.7632053856 36.2368503025 SOLV 1868 0.0000000000
|
|
5823 2069 TIP3 H2 19.0482583394 4.0198017240 35.8179996440 SOLV 1868 0.0000000000
|
|
5824 2070 TIP3 OH2 37.8732940387 0.8884301129 37.9399306975 SOLV 1869 0.0000000000
|
|
5825 2070 TIP3 H1 38.4970280776 0.2248268895 37.5954897462 SOLV 1869 0.0000000000
|
|
5826 2070 TIP3 H2 37.6539136303 1.3911197960 37.1234103503 SOLV 1869 0.0000000000
|
|
5827 2071 TIP3 OH2 35.4659534166 2.9746791728 24.1957899958 SOLV 1870 0.0000000000
|
|
5828 2071 TIP3 H1 35.5970090585 2.4935634894 25.0416218020 SOLV 1870 0.0000000000
|
|
5829 2071 TIP3 H2 34.8679668920 2.3305154251 23.7464696392 SOLV 1870 0.0000000000
|
|
5830 2072 TIP3 OH2 20.8515277159 3.3022821905 28.8522836882 SOLV 1871 0.0000000000
|
|
5831 2072 TIP3 H1 21.3249769295 2.4458030774 28.9055278150 SOLV 1871 0.0000000000
|
|
5832 2072 TIP3 H2 21.5389507725 3.9446925035 29.0601595473 SOLV 1871 0.0000000000
|
|
5833 2073 TIP3 OH2 18.7674125792 6.2726258022 29.3613886538 SOLV 1872 0.0000000000
|
|
5834 2073 TIP3 H1 19.5744521713 6.3316641138 28.8077339773 SOLV 1872 0.0000000000
|
|
5835 2073 TIP3 H2 19.0995631928 6.6334370916 30.1950818813 SOLV 1872 0.0000000000
|
|
5836 2074 TIP3 OH2 36.9841390431 2.3303954257 35.8266050221 SOLV 1873 0.0000000000
|
|
5837 2074 TIP3 H1 36.2454851988 2.8112642907 36.2393270908 SOLV 1873 0.0000000000
|
|
5838 2074 TIP3 H2 36.6307441107 2.3173018386 34.9210395290 SOLV 1873 0.0000000000
|
|
5839 2075 TIP3 OH2 36.7474420994 2.5999833607 20.8134248258 SOLV 1874 0.0000000000
|
|
5840 2075 TIP3 H1 37.2170058512 2.1212987722 20.0863796844 SOLV 1874 0.0000000000
|
|
5841 2075 TIP3 H2 37.4123603518 3.2722502043 21.0704036708 SOLV 1874 0.0000000000
|
|
5842 2076 TIP3 OH2 19.2597066265 2.3853848135 23.5199300998 SOLV 1875 0.0000000000
|
|
5843 2076 TIP3 H1 18.3756024198 2.7090723954 23.7920779763 SOLV 1875 0.0000000000
|
|
5844 2076 TIP3 H2 19.5651700194 3.1852992019 23.0238765348 SOLV 1875 0.0000000000
|
|
5845 2077 TIP3 OH2 19.3339478893 2.0056089798 32.7246154884 SOLV 1876 0.0000000000
|
|
5846 2077 TIP3 H1 19.5761068767 1.0635182571 32.6901010030 SOLV 1876 0.0000000000
|
|
5847 2077 TIP3 H2 18.9125037774 2.1669932897 31.8616886359 SOLV 1876 0.0000000000
|
|
5848 2078 TIP3 OH2 21.6239728436 14.6106358453 36.1414860384 SOLV 1877 0.0000000000
|
|
5849 2078 TIP3 H1 20.7517415905 14.8032204556 35.7627508807 SOLV 1877 0.0000000000
|
|
5850 2078 TIP3 H2 21.4256716226 14.7150495782 37.0742287336 SOLV 1877 0.0000000000
|
|
5851 2079 TIP3 OH2 24.7248058071 15.9498606430 32.7179090409 SOLV 1878 0.0000000000
|
|
5852 2079 TIP3 H1 24.4910093825 16.8134631529 32.3122595239 SOLV 1878 0.0000000000
|
|
5853 2079 TIP3 H2 25.6475772824 15.8770101540 32.4004572705 SOLV 1878 0.0000000000
|
|
5854 2080 TIP3 OH2 28.6161111379 16.9112329570 35.1583056060 SOLV 1879 0.0000000000
|
|
5855 2080 TIP3 H1 28.6306820385 16.6605682996 36.1038592092 SOLV 1879 0.0000000000
|
|
5856 2080 TIP3 H2 29.4966337172 17.3604066217 35.0921170506 SOLV 1879 0.0000000000
|
|
5857 2081 TIP3 OH2 30.8488909604 18.3850439031 35.0539432539 SOLV 1880 0.0000000000
|
|
5858 2081 TIP3 H1 31.6189353558 18.0387155382 34.5741416766 SOLV 1880 0.0000000000
|
|
5859 2081 TIP3 H2 31.2730207315 18.8454818452 35.8043598439 SOLV 1880 0.0000000000
|
|
5860 2082 TIP3 OH2 35.2722203733 0.5217901521 33.3285819710 SOLV 1881 0.0000000000
|
|
5861 2082 TIP3 H1 34.9173359956 1.2502693410 32.7894526126 SOLV 1881 0.0000000000
|
|
5862 2082 TIP3 H2 35.1140102758 -0.2629419344 32.7769460816 SOLV 1881 0.0000000000
|
|
5863 2083 TIP3 OH2 21.5950754784 18.8971653817 32.3227604342 SOLV 1882 0.0000000000
|
|
5864 2083 TIP3 H1 20.7885498990 19.3710902522 32.0354127518 SOLV 1882 0.0000000000
|
|
5865 2083 TIP3 H2 21.6589372175 19.1843249007 33.2432053820 SOLV 1882 0.0000000000
|
|
5866 2084 TIP3 OH2 24.1253744784 18.3603736959 31.6265890935 SOLV 1883 0.0000000000
|
|
5867 2084 TIP3 H1 23.1666488363 18.4719890944 31.8553161816 SOLV 1883 0.0000000000
|
|
5868 2084 TIP3 H2 24.2414391750 19.0351417433 30.9519203738 SOLV 1883 0.0000000000
|
|
5869 2085 TIP3 OH2 28.9692864941 18.0562073760 30.7883354315 SOLV 1884 0.0000000000
|
|
5870 2085 TIP3 H1 28.6741037606 18.6239610628 30.0715095929 SOLV 1884 0.0000000000
|
|
5871 2085 TIP3 H2 29.0469080839 18.7079089086 31.5185853350 SOLV 1884 0.0000000000
|
|
5872 2086 TIP3 OH2 31.1806150617 16.8101798286 31.8653131435 SOLV 1885 0.0000000000
|
|
5873 2086 TIP3 H1 30.3903448192 17.1783715949 31.4208880639 SOLV 1885 0.0000000000
|
|
5874 2086 TIP3 H2 31.8357026958 17.4340592751 31.5371146476 SOLV 1885 0.0000000000
|
|
5875 2087 TIP3 OH2 34.0325295379 18.4383097952 31.6936924143 SOLV 1886 0.0000000000
|
|
5876 2087 TIP3 H1 34.0220721075 19.4095016682 31.6106956224 SOLV 1886 0.0000000000
|
|
5877 2087 TIP3 H2 34.7949632763 18.2312827669 31.1283768308 SOLV 1886 0.0000000000
|
|
5878 2088 TIP3 OH2 29.2647562472 2.6697914973 28.2993363117 SOLV 1887 0.0000000000
|
|
5879 2088 TIP3 H1 28.4741103856 2.0880615699 28.4241102272 SOLV 1887 0.0000000000
|
|
5880 2088 TIP3 H2 29.8716754422 2.0255648791 27.8524083043 SOLV 1887 0.0000000000
|
|
5881 2089 TIP3 OH2 34.9636054890 1.1894488416 28.4114285550 SOLV 1888 0.0000000000
|
|
5882 2089 TIP3 H1 35.6902791745 1.2385720375 27.7480487490 SOLV 1888 0.0000000000
|
|
5883 2089 TIP3 H2 34.6642426255 2.1201067854 28.4540129788 SOLV 1888 0.0000000000
|
|
5884 2090 TIP3 OH2 36.7335877459 1.3828488752 26.2326344341 SOLV 1889 0.0000000000
|
|
5885 2090 TIP3 H1 37.4487092586 0.8165803259 25.9365079980 SOLV 1889 0.0000000000
|
|
5886 2090 TIP3 H2 37.2272262648 2.2298470951 26.3785207349 SOLV 1889 0.0000000000
|
|
5887 2091 TIP3 OH2 21.8907716035 0.8374681453 25.8912170612 SOLV 1890 0.0000000000
|
|
5888 2091 TIP3 H1 21.4479209961 0.9163358741 25.0272783988 SOLV 1890 0.0000000000
|
|
5889 2091 TIP3 H2 22.3782259774 0.0076999081 25.7661595190 SOLV 1890 0.0000000000
|
|
5890 2092 TIP3 OH2 21.1464927929 0.7394053264 22.3652974396 SOLV 1891 0.0000000000
|
|
5891 2092 TIP3 H1 21.5154074942 1.3286094481 21.6734682341 SOLV 1891 0.0000000000
|
|
5892 2092 TIP3 H2 20.3488174974 1.2449473500 22.6171731909 SOLV 1891 0.0000000000
|
|
5893 2093 TIP3 OH2 26.2586661170 1.5317829981 25.7109297784 SOLV 1892 0.0000000000
|
|
5894 2093 TIP3 H1 27.1657625236 1.7457034336 25.4248589196 SOLV 1892 0.0000000000
|
|
5895 2093 TIP3 H2 26.3772327470 1.4760813812 26.6787338604 SOLV 1892 0.0000000000
|
|
5896 2094 TIP3 OH2 30.9957077833 0.9586280317 27.0063243670 SOLV 1893 0.0000000000
|
|
5897 2094 TIP3 H1 31.3464854751 1.1880018053 26.1444902648 SOLV 1893 0.0000000000
|
|
5898 2094 TIP3 H2 31.6873764939 0.3246428609 27.3211138024 SOLV 1893 0.0000000000
|
|
5899 2095 TIP3 OH2 33.3891640787 1.4186023773 23.3927381478 SOLV 1894 0.0000000000
|
|
5900 2095 TIP3 H1 32.5158971787 1.8427285398 23.5610623961 SOLV 1894 0.0000000000
|
|
5901 2095 TIP3 H2 33.1134560258 0.4972854088 23.2109795440 SOLV 1894 0.0000000000
|
|
5902 2096 TIP3 OH2 22.3581591173 2.4242242801 20.5094118219 SOLV 1895 0.0000000000
|
|
5903 2096 TIP3 H1 22.7885161643 1.9702850744 19.7592826822 SOLV 1895 0.0000000000
|
|
5904 2096 TIP3 H2 23.1361810825 2.7544965393 21.0034829850 SOLV 1895 0.0000000000
|
|
5905 2097 TIP3 OH2 27.3127813317 2.9791284363 22.8513776556 SOLV 1896 0.0000000000
|
|
5906 2097 TIP3 H1 27.6015798779 2.3558378148 23.5377478693 SOLV 1896 0.0000000000
|
|
5907 2097 TIP3 H2 27.5852995908 3.8112877984 23.3030903759 SOLV 1896 0.0000000000
|
|
5908 2098 TIP3 OH2 36.1314612501 17.4943355829 23.7826848129 SOLV 1897 0.0000000000
|
|
5909 2098 TIP3 H1 35.8113144830 16.6536324063 23.3960878992 SOLV 1897 0.0000000000
|
|
5910 2098 TIP3 H2 35.4734621521 18.1301377617 23.5013036996 SOLV 1897 0.0000000000
|
|
5911 2099 TIP3 OH2 21.7157454508 2.0208745008 35.4229378982 SOLV 1898 0.0000000000
|
|
5912 2099 TIP3 H1 21.2438090218 1.3246105561 34.9620241029 SOLV 1898 0.0000000000
|
|
5913 2099 TIP3 H2 22.5198230623 1.5805771122 35.7807547688 SOLV 1898 0.0000000000
|
|
5914 2100 TIP3 OH2 23.9064416370 1.3540496918 37.3199156825 SOLV 1899 0.0000000000
|
|
5915 2100 TIP3 H1 24.5173624626 2.0987902254 37.5104200426 SOLV 1899 0.0000000000
|
|
5916 2100 TIP3 H2 24.3349161937 0.6137592347 37.8084112288 SOLV 1899 0.0000000000
|
|
5917 2101 TIP3 OH2 22.0124320572 17.3205178227 19.5696636382 SOLV 1900 0.0000000000
|
|
5918 2101 TIP3 H1 22.0885863224 17.5782453578 20.4935174047 SOLV 1900 0.0000000000
|
|
5919 2101 TIP3 H2 22.8943294497 16.9042368381 19.4345168797 SOLV 1900 0.0000000000
|
|
5920 2102 TIP3 OH2 32.1321407948 50.0220352856 37.7034499475 SOLV 1901 0.0000000000
|
|
5921 2102 TIP3 H1 32.5454723730 49.5965394337 38.4724165279 SOLV 1901 0.0000000000
|
|
5922 2102 TIP3 H2 32.8648086616 50.1618852476 37.1026973947 SOLV 1901 0.0000000000
|
|
5923 2103 TIP3 OH2 34.9328269463 15.9691490061 35.8403808507 SOLV 1902 0.0000000000
|
|
5924 2103 TIP3 H1 34.2355165191 16.0691643687 35.1629482141 SOLV 1902 0.0000000000
|
|
5925 2103 TIP3 H2 35.0143969583 16.8795344367 36.1956338448 SOLV 1902 0.0000000000
|
|
5926 2104 TIP3 OH2 50.2265979923 9.7908870142 25.4815214168 SOLV 1903 0.0000000000
|
|
5927 2104 TIP3 H1 50.2262345949 10.7640232922 25.4204320361 SOLV 1903 0.0000000000
|
|
5928 2104 TIP3 H2 49.3254765347 9.6192241131 25.1797029930 SOLV 1903 0.0000000000
|
|
5929 2105 TIP3 OH2 47.8106208854 9.6566770473 29.4966795551 SOLV 1904 0.0000000000
|
|
5930 2105 TIP3 H1 48.7834201800 9.6540358352 29.5980465428 SOLV 1904 0.0000000000
|
|
5931 2105 TIP3 H2 47.6621838589 9.0541935057 28.7581008791 SOLV 1904 0.0000000000
|
|
5932 2106 TIP3 OH2 40.5798798694 8.5093277851 30.9825122200 SOLV 1905 0.0000000000
|
|
5933 2106 TIP3 H1 40.7649765230 7.8199765701 31.6412909423 SOLV 1905 0.0000000000
|
|
5934 2106 TIP3 H2 41.2756307425 9.1543952072 31.1821229978 SOLV 1905 0.0000000000
|
|
5935 2107 TIP3 OH2 41.7638989074 13.9464100209 29.4314172524 SOLV 1906 0.0000000000
|
|
5936 2107 TIP3 H1 41.4054099159 13.3402570521 28.7670794020 SOLV 1906 0.0000000000
|
|
5937 2107 TIP3 H2 42.5897898636 13.4945685626 29.6596947317 SOLV 1906 0.0000000000
|
|
5938 2108 TIP3 OH2 38.4862810200 6.5524140260 24.7360352468 SOLV 1907 0.0000000000
|
|
5939 2108 TIP3 H1 38.4432309119 7.5128793011 24.8983507785 SOLV 1907 0.0000000000
|
|
5940 2108 TIP3 H2 37.9476053136 6.4832538257 23.9373173406 SOLV 1907 0.0000000000
|
|
5941 2109 TIP3 OH2 39.2492480824 9.0022651165 27.2919146233 SOLV 1908 0.0000000000
|
|
5942 2109 TIP3 H1 39.6564337991 8.1467990766 27.5681506982 SOLV 1908 0.0000000000
|
|
5943 2109 TIP3 H2 39.9903011983 9.6310905522 27.3851387938 SOLV 1908 0.0000000000
|
|
5944 2110 TIP3 OH2 48.4028736917 17.5073641722 27.6814054222 SOLV 1909 0.0000000000
|
|
5945 2110 TIP3 H1 49.3460770303 17.2646567458 27.7972686468 SOLV 1909 0.0000000000
|
|
5946 2110 TIP3 H2 48.0242273565 17.3393942024 28.5591687867 SOLV 1909 0.0000000000
|
|
5947 2111 TIP3 OH2 46.7778437511 12.1374907530 29.7912104264 SOLV 1910 0.0000000000
|
|
5948 2111 TIP3 H1 47.0703458996 11.2390002838 29.5279784992 SOLV 1910 0.0000000000
|
|
5949 2111 TIP3 H2 47.6219430941 12.5318226302 30.0634550061 SOLV 1910 0.0000000000
|
|
5950 2112 TIP3 OH2 43.4974381022 4.2406705004 27.2735289321 SOLV 1911 0.0000000000
|
|
5951 2112 TIP3 H1 43.6286712822 5.0667946650 26.7560862346 SOLV 1911 0.0000000000
|
|
5952 2112 TIP3 H2 43.2158723036 3.6260595602 26.5589252951 SOLV 1911 0.0000000000
|
|
5953 2113 TIP3 OH2 39.9983780633 6.6014014861 28.0695369782 SOLV 1912 0.0000000000
|
|
5954 2113 TIP3 H1 40.6494975081 6.2520629324 28.7000803539 SOLV 1912 0.0000000000
|
|
5955 2113 TIP3 H2 40.2449845493 6.1726568209 27.2211971560 SOLV 1912 0.0000000000
|
|
5956 2114 TIP3 OH2 45.1825829494 8.0066433232 27.6672827249 SOLV 1913 0.0000000000
|
|
5957 2114 TIP3 H1 45.9084849262 7.3773695649 27.8137221952 SOLV 1913 0.0000000000
|
|
5958 2114 TIP3 H2 44.5091198246 7.4470899740 27.2375905461 SOLV 1913 0.0000000000
|
|
5959 2115 TIP3 OH2 42.3201698586 3.3907566195 31.3462266271 SOLV 1914 0.0000000000
|
|
5960 2115 TIP3 H1 41.9677385442 4.0397931800 30.6944256023 SOLV 1914 0.0000000000
|
|
5961 2115 TIP3 H2 41.7116186688 3.5457042224 32.1195024591 SOLV 1914 0.0000000000
|
|
5962 2116 TIP3 OH2 49.3518265707 12.5011359411 25.0374841598 SOLV 1915 0.0000000000
|
|
5963 2116 TIP3 H1 49.0891139013 12.5655117813 24.1060438746 SOLV 1915 0.0000000000
|
|
5964 2116 TIP3 H2 49.0937514427 13.3878131054 25.3691723660 SOLV 1915 0.0000000000
|
|
5965 2117 TIP3 OH2 44.6929714231 10.9692779752 31.1648672885 SOLV 1916 0.0000000000
|
|
5966 2117 TIP3 H1 44.2284355725 11.7124905287 31.6283002376 SOLV 1916 0.0000000000
|
|
5967 2117 TIP3 H2 45.3902163238 11.4660374652 30.6870162999 SOLV 1916 0.0000000000
|
|
5968 2118 TIP3 OH2 42.0404275110 5.1140359582 29.3494874796 SOLV 1917 0.0000000000
|
|
5969 2118 TIP3 H1 42.7240770482 5.6643253307 29.8023590600 SOLV 1917 0.0000000000
|
|
5970 2118 TIP3 H2 42.4870552693 4.8260177616 28.5230221857 SOLV 1917 0.0000000000
|
|
5971 2119 TIP3 OH2 43.3522339223 13.0713303437 32.1432201127 SOLV 1918 0.0000000000
|
|
5972 2119 TIP3 H1 43.4056649603 14.0065083266 32.3935175085 SOLV 1918 0.0000000000
|
|
5973 2119 TIP3 H2 42.4263539052 12.9036956902 32.4384373252 SOLV 1918 0.0000000000
|
|
5974 2120 TIP3 OH2 39.1475185696 12.4741458687 23.2524262396 SOLV 1919 0.0000000000
|
|
5975 2120 TIP3 H1 39.1959272107 13.2526210930 22.6679486417 SOLV 1919 0.0000000000
|
|
5976 2120 TIP3 H2 39.4954016324 12.8449565137 24.0971616610 SOLV 1919 0.0000000000
|
|
5977 2121 TIP3 OH2 44.9861788185 0.7673967072 28.1914674002 SOLV 1920 0.0000000000
|
|
5978 2121 TIP3 H1 45.7831976173 0.6574592143 28.7460686317 SOLV 1920 0.0000000000
|
|
5979 2121 TIP3 H2 44.3069844163 0.7885476384 28.8838369082 SOLV 1920 0.0000000000
|
|
5980 2122 TIP3 OH2 48.5431942599 9.3644787141 22.8894744238 SOLV 1921 0.0000000000
|
|
5981 2122 TIP3 H1 47.7191265615 9.8822932489 22.7942339137 SOLV 1921 0.0000000000
|
|
5982 2122 TIP3 H2 49.1688965974 10.1131813883 22.8167889377 SOLV 1921 0.0000000000
|
|
5983 2123 TIP3 OH2 48.4028153398 7.6450482529 20.1407741523 SOLV 1922 0.0000000000
|
|
5984 2123 TIP3 H1 48.6372354982 7.9513061905 21.0310228872 SOLV 1922 0.0000000000
|
|
5985 2123 TIP3 H2 48.6122253693 6.6920020996 20.2002504046 SOLV 1922 0.0000000000
|
|
5986 2124 TIP3 OH2 43.4045988926 9.8046522366 25.8848841991 SOLV 1923 0.0000000000
|
|
5987 2124 TIP3 H1 43.2370169789 9.4700162760 24.9669495636 SOLV 1923 0.0000000000
|
|
5988 2124 TIP3 H2 44.0062684586 9.1324414999 26.2493435071 SOLV 1923 0.0000000000
|
|
5989 2125 TIP3 OH2 44.7920708170 13.7368785427 28.7373525602 SOLV 1924 0.0000000000
|
|
5990 2125 TIP3 H1 44.6921281230 13.5836690262 27.7771361808 SOLV 1924 0.0000000000
|
|
5991 2125 TIP3 H2 45.5887963664 13.1920410674 28.9796172991 SOLV 1924 0.0000000000
|
|
5992 2126 TIP3 OH2 43.5853750258 9.0258465669 29.7233783181 SOLV 1925 0.0000000000
|
|
5993 2126 TIP3 H1 44.2597278404 8.7226156195 29.0784300208 SOLV 1925 0.0000000000
|
|
5994 2126 TIP3 H2 44.0779491575 9.7191735211 30.2156392781 SOLV 1925 0.0000000000
|
|
5995 2127 TIP3 OH2 42.0026148409 9.1487785439 34.0579284635 SOLV 1926 0.0000000000
|
|
5996 2127 TIP3 H1 42.1443222972 9.9823027915 34.5490502951 SOLV 1926 0.0000000000
|
|
5997 2127 TIP3 H2 41.0285149830 9.1586548775 34.1142322361 SOLV 1926 0.0000000000
|
|
5998 2128 TIP3 OH2 48.9261736057 15.3950020582 25.3753974886 SOLV 1927 0.0000000000
|
|
5999 2128 TIP3 H1 48.7580242266 15.9177350973 26.1776588557 SOLV 1927 0.0000000000
|
|
6000 2128 TIP3 H2 48.4637129143 15.9479300397 24.7306698802 SOLV 1927 0.0000000000
|
|
6001 2129 TIP3 OH2 42.8986321734 15.5031917757 35.1106926356 SOLV 1928 0.0000000000
|
|
6002 2129 TIP3 H1 42.8053105846 15.6194089508 34.1455932000 SOLV 1928 0.0000000000
|
|
6003 2129 TIP3 H2 42.0011224927 15.2187135040 35.3794670502 SOLV 1928 0.0000000000
|
|
6004 2130 TIP3 OH2 42.6000685480 8.9674186614 23.4501189403 SOLV 1929 0.0000000000
|
|
6005 2130 TIP3 H1 42.0437280262 9.7814877495 23.3112601070 SOLV 1929 0.0000000000
|
|
6006 2130 TIP3 H2 41.9718294925 8.2532458019 23.2908616652 SOLV 1929 0.0000000000
|
|
6007 2131 TIP3 OH2 38.6741784682 11.6539693268 32.9283666033 SOLV 1930 0.0000000000
|
|
6008 2131 TIP3 H1 38.2236515548 11.6905520754 32.0662105676 SOLV 1930 0.0000000000
|
|
6009 2131 TIP3 H2 39.0063017314 10.7365514275 32.9428337270 SOLV 1930 0.0000000000
|
|
6010 2132 TIP3 OH2 38.6626425892 13.9916982914 29.3334758229 SOLV 1931 0.0000000000
|
|
6011 2132 TIP3 H1 38.9077959607 13.9099994884 28.4015152643 SOLV 1931 0.0000000000
|
|
6012 2132 TIP3 H2 39.1171820032 14.8025689691 29.5938484556 SOLV 1931 0.0000000000
|
|
6013 2133 TIP3 OH2 46.8911239721 14.4136870742 34.1258733127 SOLV 1932 0.0000000000
|
|
6014 2133 TIP3 H1 47.0175321655 15.3249154700 34.4586881706 SOLV 1932 0.0000000000
|
|
6015 2133 TIP3 H2 45.9471982944 14.2678554321 34.3123690183 SOLV 1932 0.0000000000
|
|
6016 2134 TIP3 OH2 48.0911121990 18.1069282724 24.0302159459 SOLV 1933 0.0000000000
|
|
6017 2134 TIP3 H1 48.2228213353 18.1126370746 23.0673695018 SOLV 1933 0.0000000000
|
|
6018 2134 TIP3 H2 47.8023036048 19.0243957157 24.1997249798 SOLV 1933 0.0000000000
|
|
6019 2135 TIP3 OH2 41.6856163223 17.0999046542 26.0318335840 SOLV 1934 0.0000000000
|
|
6020 2135 TIP3 H1 41.9850429272 16.8402163555 26.9278915499 SOLV 1934 0.0000000000
|
|
6021 2135 TIP3 H2 41.1775659571 16.2785705412 25.8129706960 SOLV 1934 0.0000000000
|
|
6022 2136 TIP3 OH2 41.0432715195 13.0821791061 33.4369272746 SOLV 1935 0.0000000000
|
|
6023 2136 TIP3 H1 41.2114336310 12.9297753314 34.3946547545 SOLV 1935 0.0000000000
|
|
6024 2136 TIP3 H2 40.2014246238 12.5956831388 33.3185023494 SOLV 1935 0.0000000000
|
|
6025 2137 TIP3 OH2 43.2252874484 1.0141949651 30.4183256228 SOLV 1936 0.0000000000
|
|
6026 2137 TIP3 H1 42.5298517841 0.9313196837 29.7139535765 SOLV 1936 0.0000000000
|
|
6027 2137 TIP3 H2 42.9093363672 1.8236978339 30.8515894295 SOLV 1936 0.0000000000
|
|
6028 2138 TIP3 OH2 48.4435897728 0.9677916748 32.7995223461 SOLV 1937 0.0000000000
|
|
6029 2138 TIP3 H1 48.7200812892 0.8709993461 31.8731576945 SOLV 1937 0.0000000000
|
|
6030 2138 TIP3 H2 47.4708159182 1.0442492304 32.7301204574 SOLV 1937 0.0000000000
|
|
6031 2139 TIP3 OH2 47.8954982824 3.6124167895 20.7030448245 SOLV 1938 0.0000000000
|
|
6032 2139 TIP3 H1 47.1962138550 3.4197599813 21.3463192404 SOLV 1938 0.0000000000
|
|
6033 2139 TIP3 H2 47.6096652228 3.0067915974 19.9748213574 SOLV 1938 0.0000000000
|
|
6034 2140 TIP3 OH2 43.4235194778 6.6313037846 30.9663839804 SOLV 1939 0.0000000000
|
|
6035 2140 TIP3 H1 42.7875394741 6.5615304804 31.7111984153 SOLV 1939 0.0000000000
|
|
6036 2140 TIP3 H2 43.2071248923 7.5118364648 30.5807774466 SOLV 1939 0.0000000000
|
|
6037 2141 TIP3 OH2 43.3405166797 6.5908149945 26.0209827339 SOLV 1940 0.0000000000
|
|
6038 2141 TIP3 H1 42.3732295313 6.4299912361 25.9177788831 SOLV 1940 0.0000000000
|
|
6039 2141 TIP3 H2 43.6549985379 6.2947326483 25.1544270848 SOLV 1940 0.0000000000
|
|
6040 2142 TIP3 OH2 48.1830439511 6.8388492128 23.8253085482 SOLV 1941 0.0000000000
|
|
6041 2142 TIP3 H1 48.1474895137 7.7596371043 23.5055178119 SOLV 1941 0.0000000000
|
|
6042 2142 TIP3 H2 49.1340144432 6.7760661819 24.1041006882 SOLV 1941 0.0000000000
|
|
6043 2143 TIP3 OH2 48.3978469954 7.0028001175 35.5350093065 SOLV 1942 0.0000000000
|
|
6044 2143 TIP3 H1 47.9545339542 6.3490673191 36.1171771765 SOLV 1942 0.0000000000
|
|
6045 2143 TIP3 H2 49.3068169174 6.9742138068 35.8863497958 SOLV 1942 0.0000000000
|
|
6046 2144 TIP3 OH2 41.4201356706 6.3872738315 32.7519721269 SOLV 1943 0.0000000000
|
|
6047 2144 TIP3 H1 41.4194011069 6.9585316102 33.5407523141 SOLV 1943 0.0000000000
|
|
6048 2144 TIP3 H2 40.7803055519 5.6698535120 32.9544706146 SOLV 1943 0.0000000000
|
|
6049 2145 TIP3 OH2 44.1915936800 3.5594446436 19.2097823574 SOLV 1944 0.0000000000
|
|
6050 2145 TIP3 H1 43.9193383240 3.5229181143 20.1548617884 SOLV 1944 0.0000000000
|
|
6051 2145 TIP3 H2 43.9986605791 4.4971808414 18.9908429631 SOLV 1944 0.0000000000
|
|
6052 2146 TIP3 OH2 38.1674831756 3.5215434008 26.8276695640 SOLV 1945 0.0000000000
|
|
6053 2146 TIP3 H1 38.6831423617 3.5625150972 27.6685040205 SOLV 1945 0.0000000000
|
|
6054 2146 TIP3 H2 38.3699240433 4.3702741698 26.4007967415 SOLV 1945 0.0000000000
|
|
6055 2147 TIP3 OH2 38.4405324428 4.4285025405 21.8896200266 SOLV 1946 0.0000000000
|
|
6056 2147 TIP3 H1 39.1276231852 4.8817611931 21.3485047671 SOLV 1946 0.0000000000
|
|
6057 2147 TIP3 H2 37.8443515969 5.1695657262 22.0975977962 SOLV 1946 0.0000000000
|
|
6058 2148 TIP3 OH2 49.1856477403 7.9614910312 32.2170564853 SOLV 1947 0.0000000000
|
|
6059 2148 TIP3 H1 49.4643811307 7.4835491310 31.4218655116 SOLV 1947 0.0000000000
|
|
6060 2148 TIP3 H2 48.6668753377 7.2765865189 32.6769865252 SOLV 1947 0.0000000000
|
|
6061 2149 TIP3 OH2 46.3849254795 4.3859660339 26.8603230150 SOLV 1948 0.0000000000
|
|
6062 2149 TIP3 H1 45.7331837473 3.9379835379 27.4214346640 SOLV 1948 0.0000000000
|
|
6063 2149 TIP3 H2 46.7913652446 5.0168470086 27.4988968026 SOLV 1948 0.0000000000
|
|
6064 2150 TIP3 OH2 40.7782922400 5.6073638019 25.6789680559 SOLV 1949 0.0000000000
|
|
6065 2150 TIP3 H1 40.0364165918 5.8830331454 25.0838069098 SOLV 1949 0.0000000000
|
|
6066 2150 TIP3 H2 41.1383412432 4.8344680465 25.2065428028 SOLV 1949 0.0000000000
|
|
6067 2151 TIP3 OH2 43.7914695411 5.5558598888 23.2372166105 SOLV 1950 0.0000000000
|
|
6068 2151 TIP3 H1 44.7570956110 5.4338012904 23.3556455501 SOLV 1950 0.0000000000
|
|
6069 2151 TIP3 H2 43.7526397736 6.1418262234 22.4493019598 SOLV 1950 0.0000000000
|
|
6070 2152 TIP3 OH2 43.7549896785 6.7270665539 20.7425359225 SOLV 1951 0.0000000000
|
|
6071 2152 TIP3 H1 43.2993818339 6.4191557584 19.9376731478 SOLV 1951 0.0000000000
|
|
6072 2152 TIP3 H2 44.5104025325 7.2233517982 20.3670508051 SOLV 1951 0.0000000000
|
|
6073 2153 TIP3 OH2 47.3242368256 6.2874291415 28.4860921868 SOLV 1952 0.0000000000
|
|
6074 2153 TIP3 H1 48.1988673284 6.5397655352 28.8521440145 SOLV 1952 0.0000000000
|
|
6075 2153 TIP3 H2 46.8968910607 5.9894008832 29.3243141154 SOLV 1952 0.0000000000
|
|
6076 2154 TIP3 OH2 42.4446333381 2.9026302126 25.1944953733 SOLV 1953 0.0000000000
|
|
6077 2154 TIP3 H1 41.8519940215 2.2447859939 25.6051286169 SOLV 1953 0.0000000000
|
|
6078 2154 TIP3 H2 43.1382157451 2.3244540327 24.8352515714 SOLV 1953 0.0000000000
|
|
6079 2155 TIP3 OH2 45.9898280410 5.9150405919 30.8003253072 SOLV 1954 0.0000000000
|
|
6080 2155 TIP3 H1 45.0742367607 6.2375162449 30.9579694914 SOLV 1954 0.0000000000
|
|
6081 2155 TIP3 H2 46.4339360841 6.1322312326 31.6553800883 SOLV 1954 0.0000000000
|
|
6082 2156 TIP3 OH2 46.5940671422 11.2331554180 22.7543509855 SOLV 1955 0.0000000000
|
|
6083 2156 TIP3 H1 45.8114342374 10.9055436146 22.2525470184 SOLV 1955 0.0000000000
|
|
6084 2156 TIP3 H2 46.1440547168 11.6195896146 23.5375334580 SOLV 1955 0.0000000000
|
|
6085 2157 TIP3 OH2 47.9019914524 11.9336483939 33.4222008753 SOLV 1956 0.0000000000
|
|
6086 2157 TIP3 H1 47.6294294245 11.5361724497 34.2557265053 SOLV 1956 0.0000000000
|
|
6087 2157 TIP3 H2 47.7725893565 12.8928344180 33.5890371765 SOLV 1956 0.0000000000
|
|
6088 2158 TIP3 OH2 41.6794577417 10.2661287069 28.1925815897 SOLV 1957 0.0000000000
|
|
6089 2158 TIP3 H1 42.1179057979 10.3678162072 27.3079207362 SOLV 1957 0.0000000000
|
|
6090 2158 TIP3 H2 42.3796151484 9.8624759035 28.7195892750 SOLV 1957 0.0000000000
|
|
6091 2159 TIP3 OH2 48.7793130718 12.7504500654 22.2189747486 SOLV 1958 0.0000000000
|
|
6092 2159 TIP3 H1 48.4239133205 13.6714207746 22.2649515479 SOLV 1958 0.0000000000
|
|
6093 2159 TIP3 H2 47.9542029534 12.2312175944 22.2561005683 SOLV 1958 0.0000000000
|
|
6094 2160 TIP3 OH2 39.0235154424 9.1261529224 34.1056790610 SOLV 1959 0.0000000000
|
|
6095 2160 TIP3 H1 39.1169918357 8.7446126505 34.9973424402 SOLV 1959 0.0000000000
|
|
6096 2160 TIP3 H2 38.2201462569 8.6757639193 33.8010386941 SOLV 1959 0.0000000000
|
|
6097 2161 TIP3 OH2 45.9171528006 8.8541810106 35.8957955222 SOLV 1960 0.0000000000
|
|
6098 2161 TIP3 H1 45.1847753880 8.4551847614 35.3787062671 SOLV 1960 0.0000000000
|
|
6099 2161 TIP3 H2 46.6516179754 8.2810556765 35.6133233766 SOLV 1960 0.0000000000
|
|
6100 2162 TIP3 OH2 43.7062903153 14.2076898517 26.1681796171 SOLV 1961 0.0000000000
|
|
6101 2162 TIP3 H1 43.9292340834 15.0994130414 25.8615765829 SOLV 1961 0.0000000000
|
|
6102 2162 TIP3 H2 42.7378536009 14.1827527871 25.9802197786 SOLV 1961 0.0000000000
|
|
6103 2163 TIP3 OH2 40.0406972273 9.0634066466 20.5846350242 SOLV 1962 0.0000000000
|
|
6104 2163 TIP3 H1 40.4501269898 9.5250905983 21.3396462504 SOLV 1962 0.0000000000
|
|
6105 2163 TIP3 H2 39.0886221852 9.0585912166 20.8153698376 SOLV 1962 0.0000000000
|
|
6106 2164 TIP3 OH2 45.0780303734 12.2577877466 24.9612456443 SOLV 1963 0.0000000000
|
|
6107 2164 TIP3 H1 44.5481901923 12.9860698853 25.3524848024 SOLV 1963 0.0000000000
|
|
6108 2164 TIP3 H2 44.7280455309 11.5102273964 25.4656738926 SOLV 1963 0.0000000000
|
|
6109 2165 TIP3 OH2 46.1127632749 16.1131535703 32.0128207289 SOLV 1964 0.0000000000
|
|
6110 2165 TIP3 H1 46.8024574777 16.6719115607 31.6137970804 SOLV 1964 0.0000000000
|
|
6111 2165 TIP3 H2 46.6332092490 15.3998643095 32.4131338834 SOLV 1964 0.0000000000
|
|
6112 2166 TIP3 OH2 43.9792886639 16.8261258660 24.6989587667 SOLV 1965 0.0000000000
|
|
6113 2166 TIP3 H1 43.1388267178 16.9616579751 25.1892225556 SOLV 1965 0.0000000000
|
|
6114 2166 TIP3 H2 44.4829446418 17.5892904849 25.0491599371 SOLV 1965 0.0000000000
|
|
6115 2167 TIP3 OH2 49.5520874823 11.7065512386 31.3792024028 SOLV 1966 0.0000000000
|
|
6116 2167 TIP3 H1 48.8736288616 11.6054190371 32.0950594681 SOLV 1966 0.0000000000
|
|
6117 2167 TIP3 H2 49.6896100594 10.8112848268 31.0379905816 SOLV 1966 0.0000000000
|
|
6118 2168 TIP3 OH2 40.3617357305 3.7079343381 33.3059230418 SOLV 1967 0.0000000000
|
|
6119 2168 TIP3 H1 39.5713165619 3.1604863906 33.0950664679 SOLV 1967 0.0000000000
|
|
6120 2168 TIP3 H2 40.5777941675 3.4155769345 34.2049452470 SOLV 1967 0.0000000000
|
|
6121 2169 TIP3 OH2 40.1589319961 15.4642502828 31.5249740981 SOLV 1968 0.0000000000
|
|
6122 2169 TIP3 H1 40.6498779631 14.8119166846 30.9878037134 SOLV 1968 0.0000000000
|
|
6123 2169 TIP3 H2 40.6082696106 15.3640271141 32.3710131516 SOLV 1968 0.0000000000
|
|
6124 2170 TIP3 OH2 45.6159732402 14.4648868929 19.2713984666 SOLV 1969 0.0000000000
|
|
6125 2170 TIP3 H1 45.6868073495 13.6877394326 18.7019075038 SOLV 1969 0.0000000000
|
|
6126 2170 TIP3 H2 45.1845827352 14.0839340704 20.0648999514 SOLV 1969 0.0000000000
|
|
6127 2171 TIP3 OH2 44.5474120922 13.7809565849 21.6894748493 SOLV 1970 0.0000000000
|
|
6128 2171 TIP3 H1 45.1852877609 13.3066760045 22.2497399459 SOLV 1970 0.0000000000
|
|
6129 2171 TIP3 H2 44.6962252876 14.7091719094 22.0075804183 SOLV 1970 0.0000000000
|
|
6130 2172 TIP3 OH2 41.0252777257 10.8568376984 22.2352884297 SOLV 1971 0.0000000000
|
|
6131 2172 TIP3 H1 40.2911903948 11.3097426225 22.7070299375 SOLV 1971 0.0000000000
|
|
6132 2172 TIP3 H2 41.3643152938 11.5759153123 21.6758015659 SOLV 1971 0.0000000000
|
|
6133 2173 TIP3 OH2 49.1459768236 3.8818251054 33.5820731025 SOLV 1972 0.0000000000
|
|
6134 2173 TIP3 H1 49.1177934871 3.7232840990 34.5413093508 SOLV 1972 0.0000000000
|
|
6135 2173 TIP3 H2 49.1979672884 2.9607065994 33.2604306764 SOLV 1972 0.0000000000
|
|
6136 2174 TIP3 OH2 49.1242018250 3.4285406324 23.4649465793 SOLV 1973 0.0000000000
|
|
6137 2174 TIP3 H1 48.8785852755 3.6799399216 22.5612799016 SOLV 1973 0.0000000000
|
|
6138 2174 TIP3 H2 49.5145378245 4.2479396808 23.8098018269 SOLV 1973 0.0000000000
|
|
6139 2175 TIP3 OH2 47.7045378066 15.1866935796 22.3681833266 SOLV 1974 0.0000000000
|
|
6140 2175 TIP3 H1 46.8285107874 15.5506130023 22.6267689381 SOLV 1974 0.0000000000
|
|
6141 2175 TIP3 H2 48.1074281221 16.0147220131 22.0616978731 SOLV 1974 0.0000000000
|
|
6142 2176 TIP3 OH2 46.2768490429 5.0660417128 24.2052946502 SOLV 1975 0.0000000000
|
|
6143 2176 TIP3 H1 46.9737574728 5.7534604776 24.1142222281 SOLV 1975 0.0000000000
|
|
6144 2176 TIP3 H2 46.2217139536 4.9483308087 25.1905109041 SOLV 1975 0.0000000000
|
|
6145 2177 TIP3 OH2 47.4353494519 5.9555108005 33.1597914828 SOLV 1976 0.0000000000
|
|
6146 2177 TIP3 H1 47.5755012463 6.3070048795 34.0606450578 SOLV 1976 0.0000000000
|
|
6147 2177 TIP3 H2 48.0590878804 5.1935347726 33.1602752914 SOLV 1976 0.0000000000
|
|
6148 2178 TIP3 OH2 47.5352425663 2.3495536328 25.3785438362 SOLV 1977 0.0000000000
|
|
6149 2178 TIP3 H1 47.4803506461 3.1577373060 25.9216694647 SOLV 1977 0.0000000000
|
|
6150 2178 TIP3 H2 48.1103332976 2.6452576517 24.6380166507 SOLV 1977 0.0000000000
|
|
6151 2179 TIP3 OH2 45.2428443230 16.2262000890 22.4310598325 SOLV 1978 0.0000000000
|
|
6152 2179 TIP3 H1 45.2007552655 17.0367330245 21.8900418457 SOLV 1978 0.0000000000
|
|
6153 2179 TIP3 H2 44.6949988327 16.5204051151 23.2010161139 SOLV 1978 0.0000000000
|
|
6154 2180 TIP3 OH2 43.4427232923 3.2924619183 21.7314823905 SOLV 1979 0.0000000000
|
|
6155 2180 TIP3 H1 43.3025939557 4.0470557085 22.3453135148 SOLV 1979 0.0000000000
|
|
6156 2180 TIP3 H2 44.3260915520 2.9985080343 22.0604210705 SOLV 1979 0.0000000000
|
|
6157 2181 TIP3 OH2 41.8867235603 13.1247936974 20.5084991412 SOLV 1980 0.0000000000
|
|
6158 2181 TIP3 H1 42.5873802876 13.5476561376 21.0452955890 SOLV 1980 0.0000000000
|
|
6159 2181 TIP3 H2 42.4448593857 12.5836924713 19.9034054572 SOLV 1980 0.0000000000
|
|
6160 2182 TIP3 OH2 39.9969945359 6.3194847223 20.2206345403 SOLV 1981 0.0000000000
|
|
6161 2182 TIP3 H1 40.2614114747 7.2224400849 20.3540533495 SOLV 1981 0.0000000000
|
|
6162 2182 TIP3 H2 39.8720275694 6.2850039579 19.2619035199 SOLV 1981 0.0000000000
|
|
6163 2183 TIP3 OH2 41.2438507998 0.7460995266 28.4533693607 SOLV 1982 0.0000000000
|
|
6164 2183 TIP3 H1 40.8105144594 0.7997093811 27.5813976020 SOLV 1982 0.0000000000
|
|
6165 2183 TIP3 H2 41.3985074480 -0.2284502416 28.4924479077 SOLV 1982 0.0000000000
|
|
6166 2184 TIP3 OH2 39.3514338154 18.0462218336 36.3677338124 SOLV 1983 0.0000000000
|
|
6167 2184 TIP3 H1 39.9057852249 17.7700814844 37.1482791965 SOLV 1983 0.0000000000
|
|
6168 2184 TIP3 H2 39.0020025009 17.1857746309 36.1138034209 SOLV 1983 0.0000000000
|
|
6169 2185 TIP3 OH2 43.5527225029 16.3240711687 37.6196512044 SOLV 1984 0.0000000000
|
|
6170 2185 TIP3 H1 44.2739261675 15.7401268443 37.9218506224 SOLV 1984 0.0000000000
|
|
6171 2185 TIP3 H2 43.4756269816 16.0583486502 36.6733733310 SOLV 1984 0.0000000000
|
|
6172 2186 TIP3 OH2 48.1463412856 15.5620822556 18.8973635358 SOLV 1985 0.0000000000
|
|
6173 2186 TIP3 H1 47.2762164660 15.2141024742 19.1581837375 SOLV 1985 0.0000000000
|
|
6174 2186 TIP3 H2 48.6534064475 14.7275968971 18.8689968347 SOLV 1985 0.0000000000
|
|
6175 2187 TIP3 OH2 38.6091504603 11.7492463377 37.4759396818 SOLV 1986 0.0000000000
|
|
6176 2187 TIP3 H1 39.4946443426 11.4455729516 37.1711294130 SOLV 1986 0.0000000000
|
|
6177 2187 TIP3 H2 38.1997729322 11.8952653530 36.6054840709 SOLV 1986 0.0000000000
|
|
6178 2188 TIP3 OH2 43.4840075864 11.4541232477 19.2319809497 SOLV 1987 0.0000000000
|
|
6179 2188 TIP3 H1 43.8180108110 11.0456514636 20.0630061077 SOLV 1987 0.0000000000
|
|
6180 2188 TIP3 H2 44.2742660612 11.3725848527 18.6615196918 SOLV 1987 0.0000000000
|
|
6181 2189 TIP3 OH2 45.0655392411 11.8809908814 36.3909739679 SOLV 1988 0.0000000000
|
|
6182 2189 TIP3 H1 44.1747255272 11.8009748880 36.0062279190 SOLV 1988 0.0000000000
|
|
6183 2189 TIP3 H2 45.3653512818 10.9593384992 36.3724612312 SOLV 1988 0.0000000000
|
|
6184 2190 TIP3 OH2 48.8477817240 12.7645521400 19.0763542533 SOLV 1989 0.0000000000
|
|
6185 2190 TIP3 H1 48.8410583430 12.6872620939 20.0358833822 SOLV 1989 0.0000000000
|
|
6186 2190 TIP3 H2 48.6515540652 11.8334956767 18.8203972985 SOLV 1989 0.0000000000
|
|
6187 2191 TIP3 OH2 40.1150331169 8.5051548163 36.6766722247 SOLV 1990 0.0000000000
|
|
6188 2191 TIP3 H1 40.7836673605 9.1986406578 36.4686178118 SOLV 1990 0.0000000000
|
|
6189 2191 TIP3 H2 39.9543442692 8.7228542132 37.6197555527 SOLV 1990 0.0000000000
|
|
6190 2192 TIP3 OH2 44.4422159890 10.1179791981 21.5388548386 SOLV 1991 0.0000000000
|
|
6191 2192 TIP3 H1 43.9064713826 9.5754997184 22.1468869506 SOLV 1991 0.0000000000
|
|
6192 2192 TIP3 H2 44.8451210330 9.4202686069 20.9834768566 SOLV 1991 0.0000000000
|
|
6193 2193 TIP3 OH2 44.3502915081 7.5759997833 34.0178538215 SOLV 1992 0.0000000000
|
|
6194 2193 TIP3 H1 43.5265978464 8.1005184100 34.0889761823 SOLV 1992 0.0000000000
|
|
6195 2193 TIP3 H2 44.8082430988 8.1105097375 33.3233890869 SOLV 1992 0.0000000000
|
|
6196 2194 TIP3 OH2 45.7602388206 8.2800633337 19.7758559355 SOLV 1993 0.0000000000
|
|
6197 2194 TIP3 H1 45.8004061579 8.5314803574 18.8234384187 SOLV 1993 0.0000000000
|
|
6198 2194 TIP3 H2 46.6457369919 7.8889145700 19.9035796066 SOLV 1993 0.0000000000
|
|
6199 2195 TIP3 OH2 49.1557475028 10.0237948765 37.5303825377 SOLV 1994 0.0000000000
|
|
6200 2195 TIP3 H1 49.7407861782 9.3898268652 37.0789519451 SOLV 1994 0.0000000000
|
|
6201 2195 TIP3 H2 48.7213202702 9.4052916587 38.1480869046 SOLV 1994 0.0000000000
|
|
6202 2196 TIP3 OH2 44.5029535587 5.0126318975 34.8917247459 SOLV 1995 0.0000000000
|
|
6203 2196 TIP3 H1 44.5907295353 4.5261121123 34.0427707836 SOLV 1995 0.0000000000
|
|
6204 2196 TIP3 H2 44.4785114441 5.9264327654 34.5132699995 SOLV 1995 0.0000000000
|
|
6205 2197 TIP3 OH2 44.6517776794 4.0270527954 32.4074438305 SOLV 1996 0.0000000000
|
|
6206 2197 TIP3 H1 45.3135403761 4.3625993982 31.7671416078 SOLV 1996 0.0000000000
|
|
6207 2197 TIP3 H2 43.8390316192 3.9235362397 31.8752941544 SOLV 1996 0.0000000000
|
|
6208 2198 TIP3 OH2 45.9942605430 8.9766320982 32.5475803324 SOLV 1997 0.0000000000
|
|
6209 2198 TIP3 H1 46.9506612415 9.0218549644 32.4271533415 SOLV 1997 0.0000000000
|
|
6210 2198 TIP3 H2 45.6527266781 9.7056735396 31.9911697098 SOLV 1997 0.0000000000
|
|
6211 2199 TIP3 OH2 43.0013382038 5.7404610707 37.0554380145 SOLV 1998 0.0000000000
|
|
6212 2199 TIP3 H1 42.1306571954 5.3201942727 36.9299414640 SOLV 1998 0.0000000000
|
|
6213 2199 TIP3 H2 43.4777105649 5.5027470755 36.2311478557 SOLV 1998 0.0000000000
|
|
6214 2200 TIP3 OH2 45.6239601626 1.5167886242 32.5451695492 SOLV 1999 0.0000000000
|
|
6215 2200 TIP3 H1 45.3119035266 2.3972845203 32.8317362659 SOLV 1999 0.0000000000
|
|
6216 2200 TIP3 H2 45.0250390424 1.3441711593 31.8085283620 SOLV 1999 0.0000000000
|
|
6217 2201 TIP3 OH2 46.6099249971 5.0621857058 36.7220540881 SOLV 2000 0.0000000000
|
|
6218 2201 TIP3 H1 46.0444988985 4.5919994003 37.3633878429 SOLV 2000 0.0000000000
|
|
6219 2201 TIP3 H2 46.0319840408 5.0230269681 35.9323863065 SOLV 2000 0.0000000000
|
|
6220 2202 TIP3 OH2 49.0671143721 3.8074973998 36.2862047665 SOLV 2001 0.0000000000
|
|
6221 2202 TIP3 H1 48.1245663947 4.0629973280 36.3374972997 SOLV 2001 0.0000000000
|
|
6222 2202 TIP3 H2 49.1139502705 3.1263983894 36.9730384992 SOLV 2001 0.0000000000
|
|
6223 2203 TIP3 OH2 40.6955892989 4.1689644915 37.1598987232 SOLV 2002 0.0000000000
|
|
6224 2203 TIP3 H1 40.6792499144 3.3967291081 36.5543738749 SOLV 2002 0.0000000000
|
|
6225 2203 TIP3 H2 40.6436479576 3.7310023309 38.0340829987 SOLV 2002 0.0000000000
|
|
6226 2204 TIP3 OH2 45.5512703250 0.6971604402 35.5634768103 SOLV 2003 0.0000000000
|
|
6227 2204 TIP3 H1 46.3628986900 0.2208539961 35.2829860252 SOLV 2003 0.0000000000
|
|
6228 2204 TIP3 H2 45.2507814867 1.0279193112 34.7052003149 SOLV 2003 0.0000000000
|
|
6229 2205 TIP3 OH2 46.5373988573 2.1071474350 37.6763874758 SOLV 2004 0.0000000000
|
|
6230 2205 TIP3 H1 46.2790516616 1.5001327486 36.9639331803 SOLV 2004 0.0000000000
|
|
6231 2205 TIP3 H2 45.6980410604 2.6087203255 37.7957582764 SOLV 2004 0.0000000000
|
|
6232 2206 TIP3 OH2 45.9928538040 18.6549825398 21.3347819286 SOLV 2005 0.0000000000
|
|
6233 2206 TIP3 H1 46.8691522787 18.2391175130 21.2626985226 SOLV 2005 0.0000000000
|
|
6234 2206 TIP3 H2 46.0154572926 19.3463213582 20.6393821339 SOLV 2005 0.0000000000
|
|
6235 2207 TIP3 OH2 39.1837091209 13.4451769046 20.2264821503 SOLV 2006 0.0000000000
|
|
6236 2207 TIP3 H1 40.1561557502 13.3223176309 20.4285569401 SOLV 2006 0.0000000000
|
|
6237 2207 TIP3 H2 39.1057150166 12.8718139667 19.4448285191 SOLV 2006 0.0000000000
|
|
6238 2208 TIP3 OH2 37.8754112309 18.7212220223 25.4798585851 SOLV 2007 0.0000000000
|
|
6239 2208 TIP3 H1 37.2182901727 18.2499666856 24.9208086157 SOLV 2007 0.0000000000
|
|
6240 2208 TIP3 H2 38.0854429329 18.0090338450 26.1178261188 SOLV 2007 0.0000000000
|
|
6241 2209 TIP3 OH2 38.7075268768 16.7695005163 27.1775649522 SOLV 2008 0.0000000000
|
|
6242 2209 TIP3 H1 39.0075884453 15.9206700632 26.7874786139 SOLV 2008 0.0000000000
|
|
6243 2209 TIP3 H2 39.2854248763 16.8625650289 27.9551674651 SOLV 2008 0.0000000000
|
|
6244 2210 TIP3 OH2 38.6496315154 9.9220149148 29.7822696711 SOLV 2009 0.0000000000
|
|
6245 2210 TIP3 H1 38.6817749073 9.5747284444 28.8772273126 SOLV 2009 0.0000000000
|
|
6246 2210 TIP3 H2 39.4254419156 9.4519329052 30.1798363182 SOLV 2009 0.0000000000
|
|
6247 2211 TIP3 OH2 38.2125916055 4.8143485759 35.4972976716 SOLV 2010 0.0000000000
|
|
6248 2211 TIP3 H1 39.0406302047 4.7661911678 35.9932993982 SOLV 2010 0.0000000000
|
|
6249 2211 TIP3 H2 37.8626081457 3.9065474223 35.6261149170 SOLV 2010 0.0000000000
|
|
6250 2212 TIP3 OH2 39.6617315700 3.3631866596 29.0214123804 SOLV 2011 0.0000000000
|
|
6251 2212 TIP3 H1 40.0893146441 2.4942175504 29.0958605700 SOLV 2011 0.0000000000
|
|
6252 2212 TIP3 H2 40.4145766843 3.9595749989 29.1355578158 SOLV 2011 0.0000000000
|
|
6253 2213 TIP3 OH2 37.6218007719 6.2610697684 29.3289353577 SOLV 2012 0.0000000000
|
|
6254 2213 TIP3 H1 38.4758803563 6.3627458737 28.8455409822 SOLV 2012 0.0000000000
|
|
6255 2213 TIP3 H2 37.7850876298 6.7939593614 30.1106550879 SOLV 2012 0.0000000000
|
|
6256 2214 TIP3 OH2 38.1618451471 2.2693462086 23.5091826836 SOLV 2013 0.0000000000
|
|
6257 2214 TIP3 H1 37.2680659009 2.5224443395 23.8114787219 SOLV 2013 0.0000000000
|
|
6258 2214 TIP3 H2 38.3934448288 3.0638701049 22.9656596261 SOLV 2013 0.0000000000
|
|
6259 2215 TIP3 OH2 38.1812888227 1.9076505468 32.5877425147 SOLV 2014 0.0000000000
|
|
6260 2215 TIP3 H1 38.1758599491 0.9333170814 32.5282281823 SOLV 2014 0.0000000000
|
|
6261 2215 TIP3 H2 37.9280810393 2.1909601494 31.6865493761 SOLV 2014 0.0000000000
|
|
6262 2216 TIP3 OH2 40.4863808887 14.5988275645 36.0707647908 SOLV 2015 0.0000000000
|
|
6263 2216 TIP3 H1 39.5528714600 14.8556513260 36.0247182067 SOLV 2015 0.0000000000
|
|
6264 2216 TIP3 H2 40.4918505956 13.6688964422 36.3800203251 SOLV 2015 0.0000000000
|
|
6265 2217 TIP3 OH2 43.4245262343 15.9356614937 32.5343640018 SOLV 2016 0.0000000000
|
|
6266 2217 TIP3 H1 43.3492217059 16.9016125700 32.3112344491 SOLV 2016 0.0000000000
|
|
6267 2217 TIP3 H2 44.3915173954 15.8295343275 32.4351144064 SOLV 2016 0.0000000000
|
|
6268 2218 TIP3 OH2 47.5633140772 16.8559143242 35.4643014746 SOLV 2017 0.0000000000
|
|
6269 2218 TIP3 H1 47.7543487280 16.3045157981 36.2657518480 SOLV 2017 0.0000000000
|
|
6270 2218 TIP3 H2 48.4531159750 17.1744606502 35.2080089258 SOLV 2017 0.0000000000
|
|
6271 2219 TIP3 OH2 -0.0964385008 18.0752895503 34.6049844448 SOLV 2018 0.0000000000
|
|
6272 2219 TIP3 H1 0.5522139101 17.8868273489 33.9133563380 SOLV 2018 0.0000000000
|
|
6273 2219 TIP3 H2 0.4724879491 18.0524535460 35.4095318414 SOLV 2018 0.0000000000
|
|
6274 2220 TIP3 OH2 40.8060102613 19.0041671315 32.4698274067 SOLV 2019 0.0000000000
|
|
6275 2220 TIP3 H1 40.0898264405 19.6511026992 32.2983565934 SOLV 2019 0.0000000000
|
|
6276 2220 TIP3 H2 40.6744399583 18.8172577873 33.4092516558 SOLV 2019 0.0000000000
|
|
6277 2221 TIP3 OH2 43.2206224815 18.4462488759 31.6583901548 SOLV 2020 0.0000000000
|
|
6278 2221 TIP3 H1 42.2769862738 18.6219418305 31.9177840268 SOLV 2020 0.0000000000
|
|
6279 2221 TIP3 H2 43.2645075317 18.8968345744 30.8133551101 SOLV 2020 0.0000000000
|
|
6280 2222 TIP3 OH2 47.7231380172 17.9989541337 30.6611388929 SOLV 2021 0.0000000000
|
|
6281 2222 TIP3 H1 47.0078086699 18.5427594692 30.2621466083 SOLV 2021 0.0000000000
|
|
6282 2222 TIP3 H2 48.0178123082 18.5556690142 31.4020646802 SOLV 2021 0.0000000000
|
|
6283 2223 TIP3 OH2 40.0337724301 17.2951199002 29.4884183063 SOLV 2022 0.0000000000
|
|
6284 2223 TIP3 H1 39.8552868046 16.8564290601 30.3457257466 SOLV 2022 0.0000000000
|
|
6285 2223 TIP3 H2 40.9303599114 16.9563705480 29.2931036945 SOLV 2022 0.0000000000
|
|
6286 2224 TIP3 OH2 42.4449612682 16.4666494839 28.5750153686 SOLV 2023 0.0000000000
|
|
6287 2224 TIP3 H1 42.3290297602 15.4940824184 28.6902549515 SOLV 2023 0.0000000000
|
|
6288 2224 TIP3 H2 43.3946858790 16.5717425839 28.7957860946 SOLV 2023 0.0000000000
|
|
6289 2225 TIP3 OH2 44.9688556589 16.3833917051 29.3501111882 SOLV 2024 0.0000000000
|
|
6290 2225 TIP3 H1 44.9640254602 15.4402104296 29.0790981970 SOLV 2024 0.0000000000
|
|
6291 2225 TIP3 H2 45.0921377489 16.3092038990 30.3136383518 SOLV 2024 0.0000000000
|
|
6292 2226 TIP3 OH2 40.7942653504 0.7863411585 25.6571974474 SOLV 2025 0.0000000000
|
|
6293 2226 TIP3 H1 40.2741717605 1.2299139521 24.9655637555 SOLV 2025 0.0000000000
|
|
6294 2226 TIP3 H2 41.0542237817 -0.0167730586 25.1924578435 SOLV 2025 0.0000000000
|
|
6295 2227 TIP3 OH2 40.0384372096 0.7011235738 22.3767341439 SOLV 2026 0.0000000000
|
|
6296 2227 TIP3 H1 40.4064445625 1.2936121606 21.6798519080 SOLV 2026 0.0000000000
|
|
6297 2227 TIP3 H2 39.2393885678 1.2210525681 22.6280107254 SOLV 2026 0.0000000000
|
|
6298 2228 TIP3 OH2 45.0544122415 1.5678501505 25.5602396520 SOLV 2027 0.0000000000
|
|
6299 2228 TIP3 H1 46.0027659497 1.8368698448 25.5072234793 SOLV 2027 0.0000000000
|
|
6300 2228 TIP3 H2 44.9802775880 1.4462725730 26.5324404517 SOLV 2027 0.0000000000
|
|
6301 2229 TIP3 OH2 40.0895561325 16.7399327870 22.1440359835 SOLV 2028 0.0000000000
|
|
6302 2229 TIP3 H1 39.1701948769 16.9546248973 21.9113589104 SOLV 2028 0.0000000000
|
|
6303 2229 TIP3 H2 40.1680577009 17.1292158978 23.0148284235 SOLV 2028 0.0000000000
|
|
6304 2230 TIP3 OH2 41.2434421566 2.3923208137 20.5135752511 SOLV 2029 0.0000000000
|
|
6305 2230 TIP3 H1 41.6210917160 2.0012278625 19.7033066111 SOLV 2029 0.0000000000
|
|
6306 2230 TIP3 H2 42.0573661687 2.7237598017 20.9641315008 SOLV 2029 0.0000000000
|
|
6307 2231 TIP3 OH2 45.9257108694 2.9424748553 22.6726745064 SOLV 2030 0.0000000000
|
|
6308 2231 TIP3 H1 46.1308130586 2.2142334575 23.2883294718 SOLV 2030 0.0000000000
|
|
6309 2231 TIP3 H2 46.2144034559 3.6998840640 23.2379441067 SOLV 2030 0.0000000000
|
|
6310 2232 TIP3 OH2 48.4349515986 17.5386785498 21.0174844501 SOLV 2031 0.0000000000
|
|
6311 2232 TIP3 H1 49.1150550530 18.1533841827 20.7070827804 SOLV 2031 0.0000000000
|
|
6312 2232 TIP3 H2 48.3329915518 16.9568603480 20.2374789597 SOLV 2031 0.0000000000
|
|
6313 2233 TIP3 OH2 40.6883162572 1.9907377308 35.4474681612 SOLV 2032 0.0000000000
|
|
6314 2233 TIP3 H1 40.1445156421 1.3454136758 34.9759913160 SOLV 2032 0.0000000000
|
|
6315 2233 TIP3 H2 41.3880244845 1.4195292632 35.8439921729 SOLV 2032 0.0000000000
|
|
6316 2234 TIP3 OH2 42.7048390366 1.2783209290 37.2946852256 SOLV 2033 0.0000000000
|
|
6317 2234 TIP3 H1 43.5230140979 1.7729250464 37.1088131495 SOLV 2033 0.0000000000
|
|
6318 2234 TIP3 H2 43.0864121072 0.5181552527 37.7905982159 SOLV 2033 0.0000000000
|
|
6319 2235 TIP3 OH2 41.0157962166 17.0660543020 19.4390742260 SOLV 2034 0.0000000000
|
|
6320 2235 TIP3 H1 40.9339515164 16.9316539036 20.4028168674 SOLV 2034 0.0000000000
|
|
6321 2235 TIP3 H2 41.8988752959 16.6656920749 19.2768055835 SOLV 2034 0.0000000000
|
|
6322 2236 TIP3 OH2 12.4370265858 29.0621177031 25.5349168021 SOLV 2035 0.0000000000
|
|
6323 2236 TIP3 H1 12.2646695849 30.0073105024 25.3376973836 SOLV 2035 0.0000000000
|
|
6324 2236 TIP3 H2 11.6485607569 28.6378377144 25.1562065365 SOLV 2035 0.0000000000
|
|
6325 2237 TIP3 OH2 10.4638755088 28.1499578913 29.4321905972 SOLV 2036 0.0000000000
|
|
6326 2237 TIP3 H1 10.6695320612 27.5961321219 30.2195803586 SOLV 2036 0.0000000000
|
|
6327 2237 TIP3 H2 10.0252534376 27.5174499822 28.8315060367 SOLV 2036 0.0000000000
|
|
6328 2238 TIP3 OH2 3.1653288243 27.4969055823 30.9428673539 SOLV 2037 0.0000000000
|
|
6329 2238 TIP3 H1 3.3067783018 26.8393176206 31.6428659960 SOLV 2037 0.0000000000
|
|
6330 2238 TIP3 H2 4.0719011950 27.7196269631 30.6754020642 SOLV 2037 0.0000000000
|
|
6331 2239 TIP3 OH2 4.7075536739 32.3740708062 29.4196453928 SOLV 2038 0.0000000000
|
|
6332 2239 TIP3 H1 4.3494706684 31.5157158516 29.1234526800 SOLV 2038 0.0000000000
|
|
6333 2239 TIP3 H2 5.6307853740 32.2869488639 29.1211607245 SOLV 2038 0.0000000000
|
|
6334 2240 TIP3 OH2 0.6812621696 25.6939255523 24.8949630334 SOLV 2039 0.0000000000
|
|
6335 2240 TIP3 H1 0.8507210320 26.6031620216 25.1988106150 SOLV 2039 0.0000000000
|
|
6336 2240 TIP3 H2 0.7620134931 25.1725385330 25.7062229041 SOLV 2039 0.0000000000
|
|
6337 2241 TIP3 OH2 1.9850308133 28.2209115577 27.7149339532 SOLV 2040 0.0000000000
|
|
6338 2241 TIP3 H1 2.2032462624 27.2781592503 27.7462769866 SOLV 2040 0.0000000000
|
|
6339 2241 TIP3 H2 1.5286344613 28.2872431431 26.8493805005 SOLV 2040 0.0000000000
|
|
6340 2242 TIP3 OH2 11.9957671028 36.3532871200 28.1981938021 SOLV 2041 0.0000000000
|
|
6341 2242 TIP3 H1 12.4338153630 35.7429508499 27.5788393249 SOLV 2041 0.0000000000
|
|
6342 2242 TIP3 H2 11.5624523726 35.7392150648 28.7947399785 SOLV 2041 0.0000000000
|
|
6343 2243 TIP3 OH2 9.4467746462 30.7836488417 30.0533559860 SOLV 2042 0.0000000000
|
|
6344 2243 TIP3 H1 9.7128433838 30.0796412333 29.4364876369 SOLV 2042 0.0000000000
|
|
6345 2243 TIP3 H2 10.2863799427 30.9094089386 30.5504407872 SOLV 2042 0.0000000000
|
|
6346 2244 TIP3 OH2 17.8515481886 22.4926412270 30.8801914283 SOLV 2043 0.0000000000
|
|
6347 2244 TIP3 H1 17.7158654115 23.3252408409 31.4087430859 SOLV 2043 0.0000000000
|
|
6348 2244 TIP3 H2 18.3132650719 22.8365160753 30.1135788434 SOLV 2043 0.0000000000
|
|
6349 2245 TIP3 OH2 12.5858667558 25.2435677438 29.9559318348 SOLV 2044 0.0000000000
|
|
6350 2245 TIP3 H1 12.8266869558 24.2825522988 30.0220012949 SOLV 2044 0.0000000000
|
|
6351 2245 TIP3 H2 12.3420504954 25.2619226551 29.0168398961 SOLV 2044 0.0000000000
|
|
6352 2246 TIP3 OH2 6.0537677279 22.9227718804 27.1181925142 SOLV 2045 0.0000000000
|
|
6353 2246 TIP3 H1 6.2334773775 23.7397402728 26.6127396108 SOLV 2045 0.0000000000
|
|
6354 2246 TIP3 H2 5.4926481777 22.4138906237 26.4855160132 SOLV 2045 0.0000000000
|
|
6355 2247 TIP3 OH2 13.5977326670 23.1831770370 25.8463085248 SOLV 2046 0.0000000000
|
|
6356 2247 TIP3 H1 13.9349103740 22.4228397791 26.3297538399 SOLV 2046 0.0000000000
|
|
6357 2247 TIP3 H2 14.3761027016 23.5756103447 25.4363528140 SOLV 2046 0.0000000000
|
|
6358 2248 TIP3 OH2 2.5523941517 25.4714960209 27.8371510110 SOLV 2047 0.0000000000
|
|
6359 2248 TIP3 H1 3.1948742711 25.1321204447 28.4920112964 SOLV 2047 0.0000000000
|
|
6360 2248 TIP3 H2 2.8881285410 25.0456505154 27.0249010436 SOLV 2047 0.0000000000
|
|
6361 2249 TIP3 OH2 7.1924714238 27.0956599729 27.6915141965 SOLV 2048 0.0000000000
|
|
6362 2249 TIP3 H1 8.0189154379 26.6031709253 27.9002046736 SOLV 2048 0.0000000000
|
|
6363 2249 TIP3 H2 6.7831267984 26.4414116804 27.0835014676 SOLV 2048 0.0000000000
|
|
6364 2250 TIP3 OH2 4.6876674781 21.9300601856 31.3247256997 SOLV 2049 0.0000000000
|
|
6365 2250 TIP3 H1 4.3934133111 22.4583428085 30.5515729336 SOLV 2049 0.0000000000
|
|
6366 2250 TIP3 H2 4.0588924109 22.2497929995 32.0040108679 SOLV 2049 0.0000000000
|
|
6367 2251 TIP3 OH2 11.7216321190 31.4983664830 24.7002474118 SOLV 2050 0.0000000000
|
|
6368 2251 TIP3 H1 11.5084847656 31.3755381218 23.7532244836 SOLV 2050 0.0000000000
|
|
6369 2251 TIP3 H2 11.3389952789 32.3892410333 24.8600261318 SOLV 2050 0.0000000000
|
|
6370 2252 TIP3 OH2 7.3270778673 29.7997496444 31.3647911311 SOLV 2051 0.0000000000
|
|
6371 2252 TIP3 H1 6.7104976920 30.5367899445 31.5593095085 SOLV 2051 0.0000000000
|
|
6372 2252 TIP3 H2 8.0130813595 30.2639595037 30.8336576767 SOLV 2051 0.0000000000
|
|
6373 2253 TIP3 OH2 4.3626085388 23.7881904566 29.2216963818 SOLV 2052 0.0000000000
|
|
6374 2253 TIP3 H1 4.9429034582 24.3938301855 29.7382117465 SOLV 2052 0.0000000000
|
|
6375 2253 TIP3 H2 4.9505251693 23.5634656978 28.4618181617 SOLV 2052 0.0000000000
|
|
6376 2254 TIP3 OH2 5.7305729479 31.9642007796 32.3009937343 SOLV 2053 0.0000000000
|
|
6377 2254 TIP3 H1 5.6040665091 32.9272893568 32.1976404632 SOLV 2053 0.0000000000
|
|
6378 2254 TIP3 H2 4.8765250572 31.7269840342 32.7194250055 SOLV 2053 0.0000000000
|
|
6379 2255 TIP3 OH2 1.4596950159 31.3056372450 22.7225201433 SOLV 2054 0.0000000000
|
|
6380 2255 TIP3 H1 0.6440817589 31.7396275171 22.4120672120 SOLV 2054 0.0000000000
|
|
6381 2255 TIP3 H2 1.5789789408 31.6535797825 23.6159539962 SOLV 2054 0.0000000000
|
|
6382 2256 TIP3 OH2 15.2814483558 33.5439070078 30.3642935391 SOLV 2055 0.0000000000
|
|
6383 2256 TIP3 H1 14.3291640384 33.4083627274 30.1904245259 SOLV 2055 0.0000000000
|
|
6384 2256 TIP3 H2 15.3995385283 34.4670697725 30.0449130475 SOLV 2055 0.0000000000
|
|
6385 2257 TIP3 OH2 15.7696126251 20.6860048279 31.2178741996 SOLV 2056 0.0000000000
|
|
6386 2257 TIP3 H1 15.0166590991 21.2017954806 30.8982976902 SOLV 2056 0.0000000000
|
|
6387 2257 TIP3 H2 16.5067346043 21.3054577454 31.0198953683 SOLV 2056 0.0000000000
|
|
6388 2258 TIP3 OH2 8.1773360292 18.8955315610 28.8037786379 SOLV 2057 0.0000000000
|
|
6389 2258 TIP3 H1 7.8683307316 17.9681254577 28.7849282913 SOLV 2057 0.0000000000
|
|
6390 2258 TIP3 H2 7.3162223481 19.3196664930 29.0347283834 SOLV 2057 0.0000000000
|
|
6391 2259 TIP3 OH2 13.2058885214 34.8283401843 26.2992673275 SOLV 2058 0.0000000000
|
|
6392 2259 TIP3 H1 13.4515530630 33.8946833775 26.3913040400 SOLV 2058 0.0000000000
|
|
6393 2259 TIP3 H2 14.0964596478 35.2369623142 26.1557928793 SOLV 2058 0.0000000000
|
|
6394 2260 TIP3 OH2 15.9657418957 31.1502478213 33.5561420239 SOLV 2059 0.0000000000
|
|
6395 2260 TIP3 H1 16.1990221595 30.5964925275 32.7784967211 SOLV 2059 0.0000000000
|
|
6396 2260 TIP3 H2 16.1186863793 32.0425387375 33.1584280799 SOLV 2059 0.0000000000
|
|
6397 2261 TIP3 OH2 10.7974507833 28.0607378679 23.4487891525 SOLV 2060 0.0000000000
|
|
6398 2261 TIP3 H1 10.1672665676 28.8006080033 23.3102771819 SOLV 2060 0.0000000000
|
|
6399 2261 TIP3 H2 11.5263277642 28.2897582006 22.8382991220 SOLV 2060 0.0000000000
|
|
6400 2262 TIP3 OH2 11.0128370062 26.9795184511 19.9706104891 SOLV 2061 0.0000000000
|
|
6401 2262 TIP3 H1 11.5632688948 27.2692103024 20.7175972236 SOLV 2061 0.0000000000
|
|
6402 2262 TIP3 H2 11.5385053140 26.2337712064 19.6298170565 SOLV 2061 0.0000000000
|
|
6403 2263 TIP3 OH2 18.3117387199 27.9337409110 31.5250921661 SOLV 2062 0.0000000000
|
|
6404 2263 TIP3 H1 17.3571224520 27.9476925896 31.6746654686 SOLV 2062 0.0000000000
|
|
6405 2263 TIP3 H2 18.4530247696 26.9682252032 31.6249534462 SOLV 2062 0.0000000000
|
|
6406 2264 TIP3 OH2 14.2998728503 27.5117415225 24.4574036820 SOLV 2063 0.0000000000
|
|
6407 2264 TIP3 H1 13.6312482371 28.0555841850 24.9519349807 SOLV 2063 0.0000000000
|
|
6408 2264 TIP3 H2 15.1216924233 27.9739053769 24.6851903988 SOLV 2063 0.0000000000
|
|
6409 2265 TIP3 OH2 13.4912098428 26.4140261990 33.7151492938 SOLV 2064 0.0000000000
|
|
6410 2265 TIP3 H1 14.0709746124 26.6030863395 34.4752186587 SOLV 2064 0.0000000000
|
|
6411 2265 TIP3 H2 13.9864675857 26.7095636456 32.9395495260 SOLV 2064 0.0000000000
|
|
6412 2266 TIP3 OH2 5.6120292165 28.8434582931 26.2461177194 SOLV 2065 0.0000000000
|
|
6413 2266 TIP3 H1 5.5664685443 28.4431687616 25.3424417143 SOLV 2065 0.0000000000
|
|
6414 2266 TIP3 H2 6.2783707402 28.2900839357 26.6957991614 SOLV 2065 0.0000000000
|
|
6415 2267 TIP3 OH2 7.3341517571 32.5515086609 28.6484102353 SOLV 2066 0.0000000000
|
|
6416 2267 TIP3 H1 7.4237895910 32.3893644118 27.7031712194 SOLV 2066 0.0000000000
|
|
6417 2267 TIP3 H2 8.0384813083 32.0154836718 29.0416415719 SOLV 2066 0.0000000000
|
|
6418 2268 TIP3 OH2 5.9883362719 27.6735763954 30.1538962102 SOLV 2067 0.0000000000
|
|
6419 2268 TIP3 H1 6.2669916903 27.7323042484 29.2124660342 SOLV 2067 0.0000000000
|
|
6420 2268 TIP3 H2 6.4563688621 28.4252982445 30.5549917597 SOLV 2067 0.0000000000
|
|
6421 2269 TIP3 OH2 12.5775599863 33.5265087365 30.4657013462 SOLV 2068 0.0000000000
|
|
6422 2269 TIP3 H1 12.4048655013 34.1080331197 31.2296369017 SOLV 2068 0.0000000000
|
|
6423 2269 TIP3 H2 12.1793711833 32.6929990290 30.7785605205 SOLV 2068 0.0000000000
|
|
6424 2270 TIP3 OH2 7.1826701859 32.0784578982 34.5625095331 SOLV 2069 0.0000000000
|
|
6425 2270 TIP3 H1 6.4123548245 32.5154254387 34.9898683514 SOLV 2069 0.0000000000
|
|
6426 2270 TIP3 H2 6.8143209362 31.9626444782 33.6661153180 SOLV 2069 0.0000000000
|
|
6427 2271 TIP3 OH2 13.0280714518 27.7205685070 21.9694293510 SOLV 2070 0.0000000000
|
|
6428 2271 TIP3 H1 13.5974739948 27.8366205526 22.7596862327 SOLV 2070 0.0000000000
|
|
6429 2271 TIP3 H2 13.6266716892 28.0511528804 21.2472992949 SOLV 2070 0.0000000000
|
|
6430 2272 TIP3 OH2 4.0898600769 27.9824151171 34.2074912467 SOLV 2071 0.0000000000
|
|
6431 2272 TIP3 H1 4.1730391746 28.7993034711 34.7331915310 SOLV 2071 0.0000000000
|
|
6432 2272 TIP3 H2 3.1580990143 28.0473658733 33.9173565061 SOLV 2071 0.0000000000
|
|
6433 2273 TIP3 OH2 10.8016982850 33.9302711320 25.1237921845 SOLV 2072 0.0000000000
|
|
6434 2273 TIP3 H1 11.4854800734 34.3781401592 25.6458222089 SOLV 2072 0.0000000000
|
|
6435 2273 TIP3 H2 10.3277199535 34.6873032734 24.7543870074 SOLV 2072 0.0000000000
|
|
6436 2274 TIP3 OH2 5.2437275096 33.8810597606 35.2377597101 SOLV 2073 0.0000000000
|
|
6437 2274 TIP3 H1 5.3370995640 34.2602169438 34.3464665720 SOLV 2073 0.0000000000
|
|
6438 2274 TIP3 H2 4.2880642430 33.9857623848 35.4231362533 SOLV 2073 0.0000000000
|
|
6439 2275 TIP3 OH2 5.0812990986 27.7938872183 23.7923228248 SOLV 2074 0.0000000000
|
|
6440 2275 TIP3 H1 4.5779764256 28.5365473787 23.4114571380 SOLV 2074 0.0000000000
|
|
6441 2275 TIP3 H2 4.5769803377 27.0334987572 23.4965136713 SOLV 2074 0.0000000000
|
|
6442 2276 TIP3 OH2 1.5926708384 30.5267988624 33.0699342593 SOLV 2075 0.0000000000
|
|
6443 2276 TIP3 H1 0.9214988637 30.7665910361 32.3925101869 SOLV 2075 0.0000000000
|
|
6444 2276 TIP3 H2 1.5188854362 29.5608858935 33.0211850329 SOLV 2075 0.0000000000
|
|
6445 2277 TIP3 OH2 1.1545071539 33.3264959198 28.9752303793 SOLV 2076 0.0000000000
|
|
6446 2277 TIP3 H1 1.5936242053 32.4770428181 29.1113301267 SOLV 2076 0.0000000000
|
|
6447 2277 TIP3 H2 0.6907523884 33.4154341062 29.8212846816 SOLV 2076 0.0000000000
|
|
6448 2278 TIP3 OH2 18.7126154125 33.8560276562 35.2673222234 SOLV 2077 0.0000000000
|
|
6449 2278 TIP3 H1 18.5470649902 32.9135629692 35.1075572524 SOLV 2077 0.0000000000
|
|
6450 2278 TIP3 H2 17.8297203653 34.1441893815 35.5801339882 SOLV 2077 0.0000000000
|
|
6451 2279 TIP3 OH2 9.5407769237 33.4570311410 33.9780356628 SOLV 2078 0.0000000000
|
|
6452 2279 TIP3 H1 9.4662034068 34.3547571543 34.3499963329 SOLV 2078 0.0000000000
|
|
6453 2279 TIP3 H2 8.6892171568 33.0339774446 34.2350937591 SOLV 2078 0.0000000000
|
|
6454 2280 TIP3 OH2 10.6746248750 36.9519049149 23.9386185944 SOLV 2079 0.0000000000
|
|
6455 2280 TIP3 H1 10.4207189035 36.8897132624 23.0012640469 SOLV 2079 0.0000000000
|
|
6456 2280 TIP3 H2 10.3046357320 37.8251259833 24.1918575502 SOLV 2079 0.0000000000
|
|
6457 2281 TIP3 OH2 4.1187728995 35.7112801272 25.8850704888 SOLV 2080 0.0000000000
|
|
6458 2281 TIP3 H1 4.2133695527 35.3599809742 26.7980327098 SOLV 2080 0.0000000000
|
|
6459 2281 TIP3 H2 3.4127741883 35.1158737924 25.5340765110 SOLV 2080 0.0000000000
|
|
6460 2282 TIP3 OH2 13.3210530590 36.4579790966 20.5952038412 SOLV 2081 0.0000000000
|
|
6461 2282 TIP3 H1 13.8195530466 35.6995370244 20.2169182566 SOLV 2081 0.0000000000
|
|
6462 2282 TIP3 H2 13.5044463348 36.3982664098 21.5552172772 SOLV 2081 0.0000000000
|
|
6463 2283 TIP3 OH2 13.2410599010 36.2886858584 23.3991854662 SOLV 2082 0.0000000000
|
|
6464 2283 TIP3 H1 12.2860625549 36.4918479881 23.5850095026 SOLV 2082 0.0000000000
|
|
6465 2283 TIP3 H2 13.4326676561 35.6903418185 24.1385384085 SOLV 2082 0.0000000000
|
|
6466 2284 TIP3 OH2 15.5658616156 25.2545198338 35.7062269268 SOLV 2083 0.0000000000
|
|
6467 2284 TIP3 H1 15.6478336247 25.4178396694 34.7485306988 SOLV 2083 0.0000000000
|
|
6468 2284 TIP3 H2 15.7631198197 24.2923007280 35.7409469881 SOLV 2083 0.0000000000
|
|
6469 2285 TIP3 OH2 3.4424482643 32.1735936003 33.8584260593 SOLV 2084 0.0000000000
|
|
6470 2285 TIP3 H1 3.6871954702 31.7116962361 34.6829547476 SOLV 2084 0.0000000000
|
|
6471 2285 TIP3 H2 2.6726428500 31.6191426704 33.5769785316 SOLV 2084 0.0000000000
|
|
6472 2286 TIP3 OH2 5.8064835193 20.1145754820 29.6423697337 SOLV 2085 0.0000000000
|
|
6473 2286 TIP3 H1 4.9640986975 20.1894972384 29.1450792425 SOLV 2085 0.0000000000
|
|
6474 2286 TIP3 H2 5.6214728117 20.7606262600 30.3563166970 SOLV 2085 0.0000000000
|
|
6475 2287 TIP3 OH2 10.5234021881 19.7787184271 33.0197408566 SOLV 2086 0.0000000000
|
|
6476 2287 TIP3 H1 11.0126011178 19.2486629925 33.6977133453 SOLV 2086 0.0000000000
|
|
6477 2287 TIP3 H2 9.6050493182 19.7768299485 33.3649892498 SOLV 2086 0.0000000000
|
|
6478 2288 TIP3 OH2 13.4378782047 23.6716593943 33.9058985042 SOLV 2087 0.0000000000
|
|
6479 2288 TIP3 H1 12.8637153740 23.5317733009 34.6932170411 SOLV 2087 0.0000000000
|
|
6480 2288 TIP3 H2 13.3482994244 24.6302061438 33.7453692508 SOLV 2087 0.0000000000
|
|
6481 2289 TIP3 OH2 14.6245912282 28.5843490114 20.1012985019 SOLV 2088 0.0000000000
|
|
6482 2289 TIP3 H1 14.4722340947 28.6168952134 19.1339033124 SOLV 2088 0.0000000000
|
|
6483 2289 TIP3 H2 15.6060698501 28.6173341906 20.1119213233 SOLV 2088 0.0000000000
|
|
6484 2290 TIP3 OH2 10.0247950562 22.1305875316 20.5964769286 SOLV 2089 0.0000000000
|
|
6485 2290 TIP3 H1 9.3802085918 22.0913651967 21.3221474129 SOLV 2089 0.0000000000
|
|
6486 2290 TIP3 H2 9.6039619213 21.5292875985 19.9668225348 SOLV 2089 0.0000000000
|
|
6487 2291 TIP3 OH2 5.9267328484 25.1272864274 31.0098221962 SOLV 2090 0.0000000000
|
|
6488 2291 TIP3 H1 5.1677309797 25.0856439584 31.6359428197 SOLV 2090 0.0000000000
|
|
6489 2291 TIP3 H2 5.9120633739 26.0834953885 30.7790977607 SOLV 2090 0.0000000000
|
|
6490 2292 TIP3 OH2 5.9955488900 25.3804707968 25.8380106760 SOLV 2091 0.0000000000
|
|
6491 2292 TIP3 H1 5.0376013206 25.2693796382 25.6400358419 SOLV 2091 0.0000000000
|
|
6492 2292 TIP3 H2 6.3664957993 25.3631979806 24.9292320993 SOLV 2091 0.0000000000
|
|
6493 2293 TIP3 OH2 11.4496243307 25.6687539765 24.4424730605 SOLV 2092 0.0000000000
|
|
6494 2293 TIP3 H1 11.1888278821 26.5320650866 24.0341348939 SOLV 2092 0.0000000000
|
|
6495 2293 TIP3 H2 12.1955056055 25.4157835327 23.8762101049 SOLV 2092 0.0000000000
|
|
6496 2294 TIP3 OH2 10.4611223464 26.0974901862 35.8170247248 SOLV 2093 0.0000000000
|
|
6497 2294 TIP3 H1 9.9507803871 25.2762538677 36.0462770947 SOLV 2093 0.0000000000
|
|
6498 2294 TIP3 H2 11.2471681945 25.9633467486 36.3868077540 SOLV 2093 0.0000000000
|
|
6499 2295 TIP3 OH2 11.7175354975 24.8835053989 27.0804976385 SOLV 2094 0.0000000000
|
|
6500 2295 TIP3 H1 11.3666864895 25.2620815790 26.2615044609 SOLV 2094 0.0000000000
|
|
6501 2295 TIP3 H2 12.3709427095 24.2710327191 26.7016089757 SOLV 2094 0.0000000000
|
|
6502 2296 TIP3 OH2 3.6810824830 25.2038839030 32.6036293233 SOLV 2095 0.0000000000
|
|
6503 2296 TIP3 H1 3.6685011996 25.8036723168 33.3665286935 SOLV 2095 0.0000000000
|
|
6504 2296 TIP3 H2 3.0929782997 24.4775635194 32.9014219496 SOLV 2095 0.0000000000
|
|
6505 2297 TIP3 OH2 6.9205816742 22.6469913086 19.2514210093 SOLV 2096 0.0000000000
|
|
6506 2297 TIP3 H1 6.4833172310 22.4467928077 20.1083881559 SOLV 2096 0.0000000000
|
|
6507 2297 TIP3 H2 6.3022542723 23.2946605164 18.8615914370 SOLV 2096 0.0000000000
|
|
6508 2298 TIP3 OH2 0.8891673765 22.7629750568 26.1908479318 SOLV 2097 0.0000000000
|
|
6509 2298 TIP3 H1 1.0692307045 22.9313870165 27.1239046101 SOLV 2097 0.0000000000
|
|
6510 2298 TIP3 H2 1.1874797979 21.8470439258 26.0889482343 SOLV 2097 0.0000000000
|
|
6511 2299 TIP3 OH2 2.0103348671 23.4452898606 22.2387513553 SOLV 2098 0.0000000000
|
|
6512 2299 TIP3 H1 2.0588432204 22.7423542456 21.5765833663 SOLV 2098 0.0000000000
|
|
6513 2299 TIP3 H2 1.9813848113 24.2250353263 21.6394832393 SOLV 2098 0.0000000000
|
|
6514 2300 TIP3 OH2 11.0286426219 26.6959447770 31.6223427969 SOLV 2099 0.0000000000
|
|
6515 2300 TIP3 H1 11.5851506272 26.1642581880 30.9946416961 SOLV 2099 0.0000000000
|
|
6516 2300 TIP3 H2 10.6612323750 25.9859494360 32.1863191440 SOLV 2099 0.0000000000
|
|
6517 2301 TIP3 OH2 8.8882212193 22.3358887889 26.6112780223 SOLV 2100 0.0000000000
|
|
6518 2301 TIP3 H1 7.9859039123 22.4362301446 26.9694181882 SOLV 2100 0.0000000000
|
|
6519 2301 TIP3 H2 9.3967923819 22.1172323579 27.4209072651 SOLV 2100 0.0000000000
|
|
6520 2302 TIP3 OH2 3.5450190681 24.4188045430 25.4708952976 SOLV 2101 0.0000000000
|
|
6521 2302 TIP3 H1 2.8230333412 24.5087673775 24.8295157401 SOLV 2101 0.0000000000
|
|
6522 2302 TIP3 H2 3.8060302376 23.4751602498 25.3204597696 SOLV 2101 0.0000000000
|
|
6523 2303 TIP3 OH2 6.5641023528 24.5298934873 23.1546903930 SOLV 2102 0.0000000000
|
|
6524 2303 TIP3 H1 7.5158723804 24.5270376912 23.2339030272 SOLV 2102 0.0000000000
|
|
6525 2303 TIP3 H2 6.4094119693 25.0526660024 22.3339923320 SOLV 2102 0.0000000000
|
|
6526 2304 TIP3 OH2 12.6048366502 22.5123470530 29.9105242905 SOLV 2103 0.0000000000
|
|
6527 2304 TIP3 H1 12.1395872467 22.3025918405 30.7625077833 SOLV 2103 0.0000000000
|
|
6528 2304 TIP3 H2 12.0524438780 21.9939972641 29.3068367828 SOLV 2103 0.0000000000
|
|
6529 2305 TIP3 OH2 6.0851707750 25.6274248409 20.6213055855 SOLV 2104 0.0000000000
|
|
6530 2305 TIP3 H1 5.6860613192 25.1653454204 19.8592621696 SOLV 2104 0.0000000000
|
|
6531 2305 TIP3 H2 6.8342396517 26.0574001128 20.1568425838 SOLV 2104 0.0000000000
|
|
6532 2306 TIP3 OH2 16.3910543753 37.5733685474 36.6486790998 SOLV 2105 0.0000000000
|
|
6533 2306 TIP3 H1 16.6457939959 37.8244529961 35.7442211449 SOLV 2105 0.0000000000
|
|
6534 2306 TIP3 H2 17.0899112747 38.0456965507 37.1395280101 SOLV 2105 0.0000000000
|
|
6535 2307 TIP3 OH2 4.0820524421 30.2331496072 35.8535417046 SOLV 2106 0.0000000000
|
|
6536 2307 TIP3 H1 4.7907200634 30.1405551835 36.5263225811 SOLV 2106 0.0000000000
|
|
6537 2307 TIP3 H2 3.3267843034 30.4419493439 36.4417253272 SOLV 2106 0.0000000000
|
|
6538 2308 TIP3 OH2 9.4774182448 25.8194758659 28.3316464099 SOLV 2107 0.0000000000
|
|
6539 2308 TIP3 H1 10.3277949460 25.3901702808 28.0863641569 SOLV 2107 0.0000000000
|
|
6540 2308 TIP3 H2 9.2744750213 25.3539169796 29.1712698949 SOLV 2107 0.0000000000
|
|
6541 2309 TIP3 OH2 4.2728117632 21.8346196273 25.3307303454 SOLV 2108 0.0000000000
|
|
6542 2309 TIP3 H1 3.7998432573 21.0071749931 25.5891558365 SOLV 2108 0.0000000000
|
|
6543 2309 TIP3 H2 4.6564061144 21.5726088131 24.4878563735 SOLV 2108 0.0000000000
|
|
6544 2310 TIP3 OH2 8.5753305173 24.5388315425 30.8373594162 SOLV 2109 0.0000000000
|
|
6545 2310 TIP3 H1 7.6439846494 24.7980156287 31.0227813807 SOLV 2109 0.0000000000
|
|
6546 2310 TIP3 H2 8.9798586047 24.5301257679 31.7094431278 SOLV 2109 0.0000000000
|
|
6547 2311 TIP3 OH2 9.0363514148 29.9870272008 22.9446570301 SOLV 2110 0.0000000000
|
|
6548 2311 TIP3 H1 8.3000306965 29.6273429762 22.4084446822 SOLV 2110 0.0000000000
|
|
6549 2311 TIP3 H2 8.5248012561 30.4304796048 23.6635764039 SOLV 2110 0.0000000000
|
|
6550 2312 TIP3 OH2 15.9419430977 29.8181992829 31.2042312738 SOLV 2111 0.0000000000
|
|
6551 2312 TIP3 H1 16.5085309207 29.5663526933 30.4676227167 SOLV 2111 0.0000000000
|
|
6552 2312 TIP3 H2 15.0605716786 29.6447535557 30.8259703737 SOLV 2111 0.0000000000
|
|
6553 2313 TIP3 OH2 12.5190926152 22.6543805198 21.4353589207 SOLV 2112 0.0000000000
|
|
6554 2313 TIP3 H1 11.6063407290 22.5657258849 21.0522993226 SOLV 2112 0.0000000000
|
|
6555 2313 TIP3 H2 12.6217301486 23.6136187509 21.5817229534 SOLV 2112 0.0000000000
|
|
6556 2314 TIP3 OH2 13.4620829516 25.0597445609 22.3065998541 SOLV 2113 0.0000000000
|
|
6557 2314 TIP3 H1 14.4226016834 25.1127436173 22.3296116061 SOLV 2113 0.0000000000
|
|
6558 2314 TIP3 H2 13.2294858159 25.9860862004 22.0980567395 SOLV 2113 0.0000000000
|
|
6559 2315 TIP3 OH2 4.2074950379 29.7876521680 28.4184562125 SOLV 2114 0.0000000000
|
|
6560 2315 TIP3 H1 4.8396704193 29.4663020877 27.7331807290 SOLV 2114 0.0000000000
|
|
6561 2315 TIP3 H2 3.4056154991 29.3466793866 28.0743185839 SOLV 2114 0.0000000000
|
|
6562 2316 TIP3 OH2 10.9751394404 31.5104762074 22.0686772306 SOLV 2115 0.0000000000
|
|
6563 2316 TIP3 H1 10.6208662305 32.4272127769 22.2046046124 SOLV 2115 0.0000000000
|
|
6564 2316 TIP3 H2 10.2128286581 30.9496211859 22.3544121004 SOLV 2115 0.0000000000
|
|
6565 2317 TIP3 OH2 1.3312993137 27.7182866725 33.7032838531 SOLV 2116 0.0000000000
|
|
6566 2317 TIP3 H1 0.9045431278 27.5143934247 34.5414721053 SOLV 2116 0.0000000000
|
|
6567 2317 TIP3 H2 0.5943799579 27.5414386729 33.0805545317 SOLV 2116 0.0000000000
|
|
6568 2318 TIP3 OH2 8.0905704286 27.6752858242 35.9999404638 SOLV 2117 0.0000000000
|
|
6569 2318 TIP3 H1 7.5573614685 27.1975897427 35.3227369194 SOLV 2117 0.0000000000
|
|
6570 2318 TIP3 H2 8.9130643886 27.1525606757 35.9306379888 SOLV 2117 0.0000000000
|
|
6571 2319 TIP3 OH2 12.0816150685 32.5779876690 34.2458148142 SOLV 2118 0.0000000000
|
|
6572 2319 TIP3 H1 11.1734614791 32.8502532282 34.0024591797 SOLV 2118 0.0000000000
|
|
6573 2319 TIP3 H2 12.2779265495 33.3105074123 34.8709033768 SOLV 2118 0.0000000000
|
|
6574 2320 TIP3 OH2 18.3227454965 30.9554385051 35.1109941688 SOLV 2119 0.0000000000
|
|
6575 2320 TIP3 H1 17.4153489602 31.2039900974 34.8622951749 SOLV 2119 0.0000000000
|
|
6576 2320 TIP3 H2 18.7046849402 30.7568576491 34.2294753006 SOLV 2119 0.0000000000
|
|
6577 2321 TIP3 OH2 13.3433929408 28.5029368520 30.0294124769 SOLV 2120 0.0000000000
|
|
6578 2321 TIP3 H1 12.6265029044 28.6649342260 29.3801806979 SOLV 2120 0.0000000000
|
|
6579 2321 TIP3 H2 13.6278799324 27.6072648845 29.8003108472 SOLV 2120 0.0000000000
|
|
6580 2322 TIP3 OH2 6.3958843331 33.1259311704 25.9231633000 SOLV 2121 0.0000000000
|
|
6581 2322 TIP3 H1 6.6878514510 34.0271257525 25.6799349102 SOLV 2121 0.0000000000
|
|
6582 2322 TIP3 H2 5.4605340150 33.1731992597 25.6915301420 SOLV 2121 0.0000000000
|
|
6583 2323 TIP3 OH2 2.3481582312 27.9281473871 20.5804013790 SOLV 2122 0.0000000000
|
|
6584 2323 TIP3 H1 3.0518984418 28.4182368054 21.0575014778 SOLV 2122 0.0000000000
|
|
6585 2323 TIP3 H2 1.5714759585 28.4582724432 20.8037600868 SOLV 2122 0.0000000000
|
|
6586 2324 TIP3 OH2 7.4936259633 30.8626989379 24.9903617618 SOLV 2123 0.0000000000
|
|
6587 2324 TIP3 H1 7.2082210655 31.7242369509 25.3671710766 SOLV 2123 0.0000000000
|
|
6588 2324 TIP3 H2 7.0651838988 30.2391062064 25.5980859799 SOLV 2123 0.0000000000
|
|
6589 2325 TIP3 OH2 8.4312102249 35.1612397296 31.8553463870 SOLV 2124 0.0000000000
|
|
6590 2325 TIP3 H1 9.1251704658 35.8247568418 31.6626014225 SOLV 2124 0.0000000000
|
|
6591 2325 TIP3 H2 8.9538846286 34.4907788852 32.3313345054 SOLV 2124 0.0000000000
|
|
6592 2326 TIP3 OH2 6.5979933656 35.7146328553 24.8478073637 SOLV 2125 0.0000000000
|
|
6593 2326 TIP3 H1 5.6639050145 35.8245237105 25.1477401813 SOLV 2125 0.0000000000
|
|
6594 2326 TIP3 H2 6.9728729110 36.5421596636 25.2240535949 SOLV 2125 0.0000000000
|
|
6595 2327 TIP3 OH2 11.7693155421 30.9538707549 31.4376167253 SOLV 2126 0.0000000000
|
|
6596 2327 TIP3 H1 12.1489842143 30.9553057804 32.3284436105 SOLV 2126 0.0000000000
|
|
6597 2327 TIP3 H2 12.2352071434 30.2072107523 31.0146688810 SOLV 2126 0.0000000000
|
|
6598 2328 TIP3 OH2 14.2786639816 31.9688244383 20.5614614678 SOLV 2127 0.0000000000
|
|
6599 2328 TIP3 H1 14.2293480340 31.3190143533 21.2696435727 SOLV 2127 0.0000000000
|
|
6600 2328 TIP3 H2 13.4161956140 31.7818320418 20.1232890909 SOLV 2127 0.0000000000
|
|
6601 2329 TIP3 OH2 14.5432690178 35.6187921994 33.7783880029 SOLV 2128 0.0000000000
|
|
6602 2329 TIP3 H1 13.7140367413 35.2705203890 33.3972612040 SOLV 2128 0.0000000000
|
|
6603 2329 TIP3 H2 14.7581225982 36.2849889497 33.0866811140 SOLV 2128 0.0000000000
|
|
6604 2330 TIP3 OH2 18.8133445380 36.3160892701 21.1871084146 SOLV 2129 0.0000000000
|
|
6605 2330 TIP3 H1 19.5538468059 36.9369421120 21.3166170178 SOLV 2129 0.0000000000
|
|
6606 2330 TIP3 H2 18.0493977764 36.9220767371 21.2270053358 SOLV 2129 0.0000000000
|
|
6607 2331 TIP3 OH2 2.6294898295 22.6766419971 33.1509473793 SOLV 2130 0.0000000000
|
|
6608 2331 TIP3 H1 1.8391412503 22.3484109917 32.7002988665 SOLV 2130 0.0000000000
|
|
6609 2331 TIP3 H2 2.7533866376 21.9944663770 33.8222756368 SOLV 2130 0.0000000000
|
|
6610 2332 TIP3 OH2 2.5108476652 34.4958074100 31.7139959674 SOLV 2131 0.0000000000
|
|
6611 2332 TIP3 H1 3.0183070931 33.6991497831 31.8728017994 SOLV 2131 0.0000000000
|
|
6612 2332 TIP3 H2 2.9139444441 35.1320490390 32.3181908213 SOLV 2131 0.0000000000
|
|
6613 2333 TIP3 OH2 7.9520053347 33.1575036252 19.1308193768 SOLV 2132 0.0000000000
|
|
6614 2333 TIP3 H1 8.1087669672 32.3609279956 18.5979893861 SOLV 2132 0.0000000000
|
|
6615 2333 TIP3 H2 7.5599264416 32.7661266839 19.9404435274 SOLV 2132 0.0000000000
|
|
6616 2334 TIP3 OH2 7.0234217256 32.5253076520 21.7294536186 SOLV 2133 0.0000000000
|
|
6617 2334 TIP3 H1 7.6823555714 32.1746143075 22.3488216992 SOLV 2133 0.0000000000
|
|
6618 2334 TIP3 H2 7.0620875392 33.4876973959 21.9135296079 SOLV 2133 0.0000000000
|
|
6619 2335 TIP3 OH2 3.6427576421 29.6821568575 22.1757707833 SOLV 2134 0.0000000000
|
|
6620 2335 TIP3 H1 2.8186580150 30.1060622453 22.4830394705 SOLV 2134 0.0000000000
|
|
6621 2335 TIP3 H2 4.0121125187 30.4430154566 21.6821026497 SOLV 2134 0.0000000000
|
|
6622 2336 TIP3 OH2 11.4516730080 22.3059281018 32.4993418638 SOLV 2135 0.0000000000
|
|
6623 2336 TIP3 H1 12.3116512336 22.4540048880 32.9331175210 SOLV 2135 0.0000000000
|
|
6624 2336 TIP3 H2 11.1372517598 21.4748189483 32.9012389656 SOLV 2135 0.0000000000
|
|
6625 2337 TIP3 OH2 11.9289071809 22.0002445559 23.9761986244 SOLV 2136 0.0000000000
|
|
6626 2337 TIP3 H1 12.2598401838 22.0315532651 23.0466966141 SOLV 2136 0.0000000000
|
|
6627 2337 TIP3 H2 12.5449381360 22.5961475702 24.4370351005 SOLV 2136 0.0000000000
|
|
6628 2338 TIP3 OH2 9.9724273841 34.0213733332 22.2929239667 SOLV 2137 0.0000000000
|
|
6629 2338 TIP3 H1 9.1083441774 34.4211086933 22.4987696436 SOLV 2137 0.0000000000
|
|
6630 2338 TIP3 H2 10.4239173996 34.8057794220 21.9414222232 SOLV 2137 0.0000000000
|
|
6631 2339 TIP3 OH2 9.1206610146 24.1798306498 24.5079558537 SOLV 2138 0.0000000000
|
|
6632 2339 TIP3 H1 9.9563886337 24.6892209579 24.4797795390 SOLV 2138 0.0000000000
|
|
6633 2339 TIP3 H2 9.1810089086 23.6517098072 25.3314987108 SOLV 2138 0.0000000000
|
|
6634 2340 TIP3 OH2 10.1145934921 24.6554300531 33.3076296941 SOLV 2139 0.0000000000
|
|
6635 2340 TIP3 H1 10.2650136751 24.7001609265 34.2639428857 SOLV 2139 0.0000000000
|
|
6636 2340 TIP3 H2 10.5841736008 23.8156742285 33.0793448521 SOLV 2139 0.0000000000
|
|
6637 2341 TIP3 OH2 9.8802810952 20.5322344055 24.9454636348 SOLV 2140 0.0000000000
|
|
6638 2341 TIP3 H1 9.5176059403 21.2358481397 25.5489671576 SOLV 2140 0.0000000000
|
|
6639 2341 TIP3 H2 10.6694246987 21.0284224557 24.6109996955 SOLV 2140 0.0000000000
|
|
6640 2342 TIP3 OH2 7.4627542188 35.0478673507 22.3172374240 SOLV 2141 0.0000000000
|
|
6641 2342 TIP3 H1 7.5333930662 35.8978623304 21.8281598099 SOLV 2141 0.0000000000
|
|
6642 2342 TIP3 H2 7.0751394924 35.3761312065 23.1674166038 SOLV 2141 0.0000000000
|
|
6643 2343 TIP3 OH2 5.9876240853 22.0218175066 21.7699483438 SOLV 2142 0.0000000000
|
|
6644 2343 TIP3 H1 5.8963245771 22.7765178884 22.3824410560 SOLV 2142 0.0000000000
|
|
6645 2343 TIP3 H2 6.8684499164 21.6824402061 22.0532874552 SOLV 2142 0.0000000000
|
|
6646 2344 TIP3 OH2 16.1447156663 22.9329665311 34.2007498856 SOLV 2143 0.0000000000
|
|
6647 2344 TIP3 H1 15.1748059369 22.9709261755 34.0511737627 SOLV 2143 0.0000000000
|
|
6648 2344 TIP3 H2 16.4733338570 23.6194426384 33.5776094103 SOLV 2143 0.0000000000
|
|
6649 2345 TIP3 OH2 4.5784244043 31.8569084973 20.7698518910 SOLV 2144 0.0000000000
|
|
6650 2345 TIP3 H1 5.3884841438 32.2914852529 21.1417598412 SOLV 2144 0.0000000000
|
|
6651 2345 TIP3 H2 4.9992383255 31.2869069119 20.0871669020 SOLV 2144 0.0000000000
|
|
6652 2346 TIP3 OH2 1.6222189077 25.2433830283 20.3312960155 SOLV 2145 0.0000000000
|
|
6653 2346 TIP3 H1 1.9832666791 26.1488781074 20.3423807491 SOLV 2145 0.0000000000
|
|
6654 2346 TIP3 H2 1.2264163634 25.1776410999 19.4401644275 SOLV 2145 0.0000000000
|
|
6655 2347 TIP3 OH2 15.9699864571 36.0202659778 29.7228865973 SOLV 2146 0.0000000000
|
|
6656 2347 TIP3 H1 15.8728377744 36.7405701149 29.0762088912 SOLV 2146 0.0000000000
|
|
6657 2347 TIP3 H2 16.9336976085 36.1007931203 29.9527388040 SOLV 2146 0.0000000000
|
|
6658 2348 TIP3 OH2 3.3215252610 20.0108027991 28.6266004232 SOLV 2147 0.0000000000
|
|
6659 2348 TIP3 H1 3.3138685063 19.7993557392 27.6668056621 SOLV 2147 0.0000000000
|
|
6660 2348 TIP3 H2 3.0442838220 19.1223994381 28.9529422533 SOLV 2147 0.0000000000
|
|
6661 2349 TIP3 OH2 2.2336691089 34.1446159644 24.9585146168 SOLV 2148 0.0000000000
|
|
6662 2349 TIP3 H1 1.3101473920 34.0033860576 25.1962986368 SOLV 2148 0.0000000000
|
|
6663 2349 TIP3 H2 2.1255474487 34.6285536045 24.1056297095 SOLV 2148 0.0000000000
|
|
6664 2350 TIP3 OH2 1.8747328494 36.4736783567 36.4472451111 SOLV 2149 0.0000000000
|
|
6665 2350 TIP3 H1 2.5083228540 36.5229497530 37.1842617807 SOLV 2149 0.0000000000
|
|
6666 2350 TIP3 H2 1.9580787205 35.5093048468 36.2261563729 SOLV 2149 0.0000000000
|
|
6667 2351 TIP3 OH2 5.9675476559 34.8460145062 37.5579816517 SOLV 2150 0.0000000000
|
|
6668 2351 TIP3 H1 6.8012650722 34.3855494485 37.7732957241 SOLV 2150 0.0000000000
|
|
6669 2351 TIP3 H2 5.8037678986 34.5586307589 36.6343182486 SOLV 2150 0.0000000000
|
|
6670 2352 TIP3 OH2 9.9135937336 34.9666439785 18.8724528459 SOLV 2151 0.0000000000
|
|
6671 2352 TIP3 H1 9.3205492320 34.2054655914 19.0696464280 SOLV 2151 0.0000000000
|
|
6672 2352 TIP3 H2 10.7273694608 34.4891100945 18.5951828367 SOLV 2151 0.0000000000
|
|
6673 2353 TIP3 OH2 12.3053378422 33.9111322336 36.6371048825 SOLV 2152 0.0000000000
|
|
6674 2353 TIP3 H1 12.0797365035 32.9921168162 36.9005585424 SOLV 2152 0.0000000000
|
|
6675 2353 TIP3 H2 13.1606159166 34.0117351268 37.1096449598 SOLV 2152 0.0000000000
|
|
6676 2354 TIP3 OH2 14.5577395696 34.4458455488 19.2775221385 SOLV 2153 0.0000000000
|
|
6677 2354 TIP3 H1 14.7002148828 33.5896366133 19.7265071402 SOLV 2153 0.0000000000
|
|
6678 2354 TIP3 H2 15.3217546465 34.5059004285 18.6657835605 SOLV 2153 0.0000000000
|
|
6679 2355 TIP3 OH2 1.6015178645 30.5288447013 37.0000621673 SOLV 2154 0.0000000000
|
|
6680 2355 TIP3 H1 1.3552723205 29.5857375410 36.9347311392 SOLV 2154 0.0000000000
|
|
6681 2355 TIP3 H2 0.7347428737 30.8973827634 36.7706553884 SOLV 2154 0.0000000000
|
|
6682 2356 TIP3 OH2 5.9296748316 30.0529911391 19.1597309202 SOLV 2155 0.0000000000
|
|
6683 2356 TIP3 H1 6.2160613080 29.5664830007 19.9644103353 SOLV 2155 0.0000000000
|
|
6684 2356 TIP3 H2 6.7629381515 30.0446050675 18.6325868427 SOLV 2155 0.0000000000
|
|
6685 2357 TIP3 OH2 8.1566269649 30.3974103509 36.6219021131 SOLV 2156 0.0000000000
|
|
6686 2357 TIP3 H1 8.0761894235 30.8757124387 35.7682484863 SOLV 2156 0.0000000000
|
|
6687 2357 TIP3 H2 8.1070632180 29.4532301206 36.3540984297 SOLV 2156 0.0000000000
|
|
6688 2358 TIP3 OH2 11.7635568630 31.5590794584 19.4904366398 SOLV 2157 0.0000000000
|
|
6689 2358 TIP3 H1 11.3781426174 31.4908150558 20.3922974331 SOLV 2157 0.0000000000
|
|
6690 2358 TIP3 H2 11.5154452639 30.6773523712 19.1118789872 SOLV 2157 0.0000000000
|
|
6691 2359 TIP3 OH2 13.3661213862 30.1683093204 34.0910495321 SOLV 2158 0.0000000000
|
|
6692 2359 TIP3 H1 14.2579564968 30.5587007903 33.9416140143 SOLV 2158 0.0000000000
|
|
6693 2359 TIP3 H2 12.8901000311 31.0214704278 34.2687689683 SOLV 2158 0.0000000000
|
|
6694 2360 TIP3 OH2 1.4543300142 27.6932214163 36.7274871041 SOLV 2159 0.0000000000
|
|
6695 2360 TIP3 H1 2.0159922437 27.1253806910 36.1870422640 SOLV 2159 0.0000000000
|
|
6696 2360 TIP3 H2 1.9249412303 27.6780816659 37.5926609099 SOLV 2159 0.0000000000
|
|
6697 2361 TIP3 OH2 6.9811473395 28.8407730293 21.5292278235 SOLV 2160 0.0000000000
|
|
6698 2361 TIP3 H1 6.3768646951 28.2886035702 22.0581371290 SOLV 2160 0.0000000000
|
|
6699 2361 TIP3 H2 7.4838333565 28.1765173749 21.0154711035 SOLV 2160 0.0000000000
|
|
6700 2362 TIP3 OH2 6.6685006094 26.7231348036 33.9201594515 SOLV 2161 0.0000000000
|
|
6701 2362 TIP3 H1 5.7759110117 27.1032544589 34.0600455877 SOLV 2161 0.0000000000
|
|
6702 2362 TIP3 H2 7.0256993661 27.3166484036 33.2418376721 SOLV 2161 0.0000000000
|
|
6703 2363 TIP3 OH2 8.2555913840 27.0669147484 19.5737186946 SOLV 2162 0.0000000000
|
|
6704 2363 TIP3 H1 8.2867120886 27.2858289069 18.6158383573 SOLV 2162 0.0000000000
|
|
6705 2363 TIP3 H2 9.2181268077 26.9615106908 19.7708011556 SOLV 2162 0.0000000000
|
|
6706 2364 TIP3 OH2 11.6341640194 29.0277174376 37.1193913607 SOLV 2163 0.0000000000
|
|
6707 2364 TIP3 H1 12.5326172099 28.8896429125 37.4913177577 SOLV 2163 0.0000000000
|
|
6708 2364 TIP3 H2 11.1276001843 28.4020942148 37.6786848417 SOLV 2163 0.0000000000
|
|
6709 2365 TIP3 OH2 17.2182074168 29.0648988639 19.6474795393 SOLV 2164 0.0000000000
|
|
6710 2365 TIP3 H1 17.1830547498 28.7902766537 18.7122121868 SOLV 2164 0.0000000000
|
|
6711 2365 TIP3 H2 17.1443103943 30.0283492859 19.5597089918 SOLV 2164 0.0000000000
|
|
6712 2366 TIP3 OH2 6.6045350259 24.0645760749 34.5749824064 SOLV 2165 0.0000000000
|
|
6713 2366 TIP3 H1 6.8789037106 23.4941738947 33.8272345219 SOLV 2165 0.0000000000
|
|
6714 2366 TIP3 H2 6.7455151514 24.9666315752 34.2172610585 SOLV 2165 0.0000000000
|
|
6715 2367 TIP3 OH2 7.1905105313 22.2808412465 32.5203797790 SOLV 2166 0.0000000000
|
|
6716 2367 TIP3 H1 7.7191947674 22.6983477053 31.8108963395 SOLV 2166 0.0000000000
|
|
6717 2367 TIP3 H2 6.3029289296 22.2201308251 32.1216696789 SOLV 2166 0.0000000000
|
|
6718 2368 TIP3 OH2 8.8997321893 28.1607038339 32.8908478783 SOLV 2167 0.0000000000
|
|
6719 2368 TIP3 H1 9.2758964319 27.5790824098 32.2143966899 SOLV 2167 0.0000000000
|
|
6720 2368 TIP3 H2 8.3879805771 28.8035601575 32.3525700091 SOLV 2167 0.0000000000
|
|
6721 2369 TIP3 OH2 12.5627209044 25.3960609016 37.4929445833 SOLV 2168 0.0000000000
|
|
6722 2369 TIP3 H1 12.5663467438 24.4237837247 37.5062505823 SOLV 2168 0.0000000000
|
|
6723 2369 TIP3 H2 13.4759371268 25.6027853288 37.2384834182 SOLV 2168 0.0000000000
|
|
6724 2370 TIP3 OH2 14.3637931795 28.3935058777 35.9731558858 SOLV 2169 0.0000000000
|
|
6725 2370 TIP3 H1 14.1595156839 29.0944676565 35.3280919660 SOLV 2169 0.0000000000
|
|
6726 2370 TIP3 H2 15.3399310193 28.3002353332 35.8645316083 SOLV 2169 0.0000000000
|
|
6727 2371 TIP3 OH2 5.1921785916 24.4255260599 36.9222350739 SOLV 2170 0.0000000000
|
|
6728 2371 TIP3 H1 4.3044701484 24.0129962649 36.8522514588 SOLV 2170 0.0000000000
|
|
6729 2371 TIP3 H2 5.5431483545 24.2376386869 36.0237221578 SOLV 2170 0.0000000000
|
|
6730 2372 TIP3 OH2 7.8065913103 19.7335634285 33.2559067376 SOLV 2171 0.0000000000
|
|
6731 2372 TIP3 H1 7.6326649976 20.6578885742 32.9728143071 SOLV 2171 0.0000000000
|
|
6732 2372 TIP3 H2 7.1491658621 19.2474186920 32.7229301877 SOLV 2171 0.0000000000
|
|
6733 2373 TIP3 OH2 8.9397918488 23.8348004706 36.4018668362 SOLV 2172 0.0000000000
|
|
6734 2373 TIP3 H1 8.5211743341 23.4241327514 37.1811437777 SOLV 2172 0.0000000000
|
|
6735 2373 TIP3 H2 8.2099955875 23.8078891553 35.7501388181 SOLV 2172 0.0000000000
|
|
6736 2374 TIP3 OH2 11.6646657857 23.1999921946 35.7976474701 SOLV 2173 0.0000000000
|
|
6737 2374 TIP3 H1 10.7269844060 23.1685045264 36.0634593494 SOLV 2173 0.0000000000
|
|
6738 2374 TIP3 H2 12.0992415704 22.6138230874 36.4658011252 SOLV 2173 0.0000000000
|
|
6739 2375 TIP3 OH2 13.2391266891 21.7549241654 37.5361220014 SOLV 2174 0.0000000000
|
|
6740 2375 TIP3 H1 13.4011216176 20.7857423414 37.4993733911 SOLV 2174 0.0000000000
|
|
6741 2375 TIP3 H2 13.1908676979 21.9248489159 38.5068234573 SOLV 2174 0.0000000000
|
|
6742 2376 TIP3 OH2 3.0698534121 22.6940631811 36.8573844267 SOLV 2175 0.0000000000
|
|
6743 2376 TIP3 H1 2.9522817828 21.8665514316 36.3626314084 SOLV 2175 0.0000000000
|
|
6744 2376 TIP3 H2 3.1908793325 22.3364751399 37.7595338943 SOLV 2175 0.0000000000
|
|
6745 2377 TIP3 OH2 7.6689812389 18.9598276133 35.9434559736 SOLV 2176 0.0000000000
|
|
6746 2377 TIP3 H1 8.1878018223 18.1297579624 35.9419714422 SOLV 2176 0.0000000000
|
|
6747 2377 TIP3 H2 7.7311278436 19.1612698270 34.9879446293 SOLV 2176 0.0000000000
|
|
6748 2378 TIP3 OH2 8.5040452251 20.6544995428 37.8819333519 SOLV 2177 0.0000000000
|
|
6749 2378 TIP3 H1 8.2371923878 20.0548502294 37.1433200656 SOLV 2177 0.0000000000
|
|
6750 2378 TIP3 H2 7.7727733718 21.3024490288 37.8652007634 SOLV 2177 0.0000000000
|
|
6751 2379 TIP3 OH2 7.9423434340 37.4941988887 21.3026287902 SOLV 2178 0.0000000000
|
|
6752 2379 TIP3 H1 8.8361985574 37.1973362776 21.0691953586 SOLV 2178 0.0000000000
|
|
6753 2379 TIP3 H2 7.9045457165 38.2784261488 20.7281687687 SOLV 2178 0.0000000000
|
|
6754 2380 TIP3 OH2 1.9910665749 32.7934191125 19.6923042242 SOLV 2179 0.0000000000
|
|
6755 2380 TIP3 H1 2.7352364848 32.6331126385 20.2919897287 SOLV 2179 0.0000000000
|
|
6756 2380 TIP3 H2 1.9005178550 31.9153510364 19.2624159094 SOLV 2179 0.0000000000
|
|
6757 2381 TIP3 OH2 0.5564502598 37.4547180051 25.2174495731 SOLV 2180 0.0000000000
|
|
6758 2381 TIP3 H1 -0.3136830053 37.1738724095 24.8837796021 SOLV 2180 0.0000000000
|
|
6759 2381 TIP3 H2 0.6228300178 36.8249379406 25.9539062196 SOLV 2180 0.0000000000
|
|
6760 2382 TIP3 OH2 1.1322745926 35.4947958054 27.4051806456 SOLV 2181 0.0000000000
|
|
6761 2382 TIP3 H1 1.0904623952 34.5529439592 27.6930617178 SOLV 2181 0.0000000000
|
|
6762 2382 TIP3 H2 1.7928536157 35.8024338563 28.0497919919 SOLV 2181 0.0000000000
|
|
6763 2383 TIP3 OH2 18.4659741120 36.3621628850 30.6384557776 SOLV 2182 0.0000000000
|
|
6764 2383 TIP3 H1 18.7356326131 36.2392620972 31.5677800017 SOLV 2182 0.0000000000
|
|
6765 2383 TIP3 H2 19.3192882449 36.4791816709 30.1957343551 SOLV 2182 0.0000000000
|
|
6766 2384 TIP3 OH2 18.1135175471 35.6839776973 33.3701246428 SOLV 2183 0.0000000000
|
|
6767 2384 TIP3 H1 17.7101686714 34.9193148623 32.8975877597 SOLV 2183 0.0000000000
|
|
6768 2384 TIP3 H2 18.5324269501 35.2051206205 34.1181128255 SOLV 2183 0.0000000000
|
|
6769 2385 TIP3 OH2 16.5088457016 31.4389201212 38.1285849093 SOLV 2184 0.0000000000
|
|
6770 2385 TIP3 H1 15.6933387533 31.5842593034 38.6498431259 SOLV 2184 0.0000000000
|
|
6771 2385 TIP3 H2 17.0071587662 32.2536106842 38.3166162360 SOLV 2184 0.0000000000
|
|
6772 2386 TIP3 OH2 16.5635715316 33.5790981624 32.6005774639 SOLV 2185 0.0000000000
|
|
6773 2386 TIP3 H1 15.8161868580 34.0718745924 32.9730704519 SOLV 2185 0.0000000000
|
|
6774 2386 TIP3 H2 16.2233509272 33.3967873674 31.6900674003 SOLV 2185 0.0000000000
|
|
6775 2387 TIP3 OH2 0.8152402848 28.5345116371 30.0729815858 SOLV 2186 0.0000000000
|
|
6776 2387 TIP3 H1 1.0991595793 28.7088126675 29.1442779537 SOLV 2186 0.0000000000
|
|
6777 2387 TIP3 H2 1.7024040354 28.3547069478 30.4601877175 SOLV 2186 0.0000000000
|
|
6778 2388 TIP3 OH2 17.0765732011 28.4813632589 35.7527231137 SOLV 2187 0.0000000000
|
|
6779 2388 TIP3 H1 17.6236925858 27.6543794051 35.7252202997 SOLV 2187 0.0000000000
|
|
6780 2388 TIP3 H2 17.7058915555 29.1802155724 35.4904648221 SOLV 2187 0.0000000000
|
|
6781 2389 TIP3 OH2 18.4427718345 26.1564338948 35.6437333951 SOLV 2188 0.0000000000
|
|
6782 2389 TIP3 H1 17.8881660178 25.8383661554 34.9075466668 SOLV 2188 0.0000000000
|
|
6783 2389 TIP3 H2 18.9598700722 25.3444352175 35.8679509045 SOLV 2188 0.0000000000
|
|
6784 2390 TIP3 OH2 15.8515990339 22.4818002068 18.9496585475 SOLV 2189 0.0000000000
|
|
6785 2390 TIP3 H1 16.0225030357 21.9128374924 19.7098189535 SOLV 2189 0.0000000000
|
|
6786 2390 TIP3 H2 14.9165132415 22.3245228469 18.7574488945 SOLV 2189 0.0000000000
|
|
6787 2391 TIP3 OH2 0.9018704339 24.4333648224 36.4182245914 SOLV 2190 0.0000000000
|
|
6788 2391 TIP3 H1 1.7105037314 23.8641783145 36.4856728218 SOLV 2190 0.0000000000
|
|
6789 2391 TIP3 H2 0.2622218927 23.7663868722 36.1165250666 SOLV 2190 0.0000000000
|
|
6790 2392 TIP3 OH2 18.6723953557 19.8708955199 37.3550484011 SOLV 2191 0.0000000000
|
|
6791 2392 TIP3 H1 19.3447837316 19.2735488095 36.9821613188 SOLV 2191 0.0000000000
|
|
6792 2392 TIP3 H2 18.6928024613 20.5802668605 36.6660742422 SOLV 2191 0.0000000000
|
|
6793 2393 TIP3 OH2 1.8149393688 22.2083609456 28.7455325049 SOLV 2192 0.0000000000
|
|
6794 2393 TIP3 H1 2.3589515905 21.3890367884 28.7013332358 SOLV 2192 0.0000000000
|
|
6795 2393 TIP3 H2 2.4905686008 22.8556835649 28.9634350629 SOLV 2192 0.0000000000
|
|
6796 2394 TIP3 OH2 0.2709583334 25.7856319047 30.0490237474 SOLV 2193 0.0000000000
|
|
6797 2394 TIP3 H1 0.7921467746 25.2806622152 29.4118850002 SOLV 2193 0.0000000000
|
|
6798 2394 TIP3 H2 0.6683192480 26.6700643424 29.9978775527 SOLV 2193 0.0000000000
|
|
6799 2395 TIP3 OH2 18.4095980961 21.5440088144 35.2224105575 SOLV 2194 0.0000000000
|
|
6800 2395 TIP3 H1 17.6311177337 22.1194259247 35.0605257555 SOLV 2194 0.0000000000
|
|
6801 2395 TIP3 H2 18.0763947307 20.7551465550 34.7504188455 SOLV 2194 0.0000000000
|
|
6802 2396 TIP3 OH2 1.6922671663 21.1082000942 23.6550388194 SOLV 2195 0.0000000000
|
|
6803 2396 TIP3 H1 0.7409370352 21.1112168073 23.8854299283 SOLV 2195 0.0000000000
|
|
6804 2396 TIP3 H2 1.8260658254 22.0643431879 23.5056900881 SOLV 2195 0.0000000000
|
|
6805 2397 TIP3 OH2 15.4145489810 36.1289578190 25.8630922799 SOLV 2196 0.0000000000
|
|
6806 2397 TIP3 H1 16.1574502304 36.2122728689 25.2248889265 SOLV 2196 0.0000000000
|
|
6807 2397 TIP3 H2 15.6429291036 36.7647839480 26.5655733305 SOLV 2196 0.0000000000
|
|
6808 2398 TIP3 OH2 0.8419985958 20.1499048251 32.0017436136 SOLV 2197 0.0000000000
|
|
6809 2398 TIP3 H1 -0.1044069646 20.0137851871 32.2300685487 SOLV 2197 0.0000000000
|
|
6810 2398 TIP3 H2 0.7736949863 20.5775499008 31.1341842000 SOLV 2197 0.0000000000
|
|
6811 2399 TIP3 OH2 2.3780104454 33.8355536175 36.1032622079 SOLV 2198 0.0000000000
|
|
6812 2399 TIP3 H1 2.2474943000 33.0815085602 35.5027869351 SOLV 2198 0.0000000000
|
|
6813 2399 TIP3 H2 2.0486489890 33.4984650462 36.9673160883 SOLV 2198 0.0000000000
|
|
6814 2400 TIP3 OH2 5.8584285937 34.8064422406 32.6998156940 SOLV 2199 0.0000000000
|
|
6815 2400 TIP3 H1 5.6525987822 35.7413823089 32.4475767913 SOLV 2199 0.0000000000
|
|
6816 2400 TIP3 H2 6.7759952610 34.7866725097 32.3588464032 SOLV 2199 0.0000000000
|
|
6817 2401 TIP3 OH2 9.6133836301 36.0320897322 35.2914129198 SOLV 2200 0.0000000000
|
|
6818 2401 TIP3 H1 9.6639004730 35.5803574253 36.1642296141 SOLV 2200 0.0000000000
|
|
6819 2401 TIP3 H2 10.5450240028 36.3749596436 35.2252333075 SOLV 2200 0.0000000000
|
|
6820 2402 TIP3 OH2 11.9875657473 37.3082063848 35.0842020736 SOLV 2201 0.0000000000
|
|
6821 2402 TIP3 H1 12.7448236973 36.8772376181 34.6567358488 SOLV 2201 0.0000000000
|
|
6822 2402 TIP3 H2 12.4084906752 37.7946312383 35.8228069860 SOLV 2201 0.0000000000
|
|
6823 2403 TIP3 OH2 17.2567936027 19.4032791645 33.9342325987 SOLV 2202 0.0000000000
|
|
6824 2403 TIP3 H1 16.6148399820 19.7372636411 33.2906223447 SOLV 2202 0.0000000000
|
|
6825 2403 TIP3 H2 17.3760011742 18.4858083494 33.6118339677 SOLV 2202 0.0000000000
|
|
6826 2404 TIP3 OH2 3.1321325450 37.8635043570 32.8568748259 SOLV 2203 0.0000000000
|
|
6827 2404 TIP3 H1 2.3847101484 38.3820102859 32.4922433397 SOLV 2203 0.0000000000
|
|
6828 2404 TIP3 H2 3.3204450387 38.3520844076 33.6713501039 SOLV 2203 0.0000000000
|
|
6829 2405 TIP3 OH2 5.4963420782 37.2712739151 31.7515390214 SOLV 2204 0.0000000000
|
|
6830 2405 TIP3 H1 4.5643120529 37.4248833034 32.0423369539 SOLV 2204 0.0000000000
|
|
6831 2405 TIP3 H2 5.4907493183 37.6082137963 30.8413244533 SOLV 2204 0.0000000000
|
|
6832 2406 TIP3 OH2 10.1864392064 37.0616831663 30.8810650406 SOLV 2205 0.0000000000
|
|
6833 2406 TIP3 H1 9.4926538627 37.5249498463 30.3637184383 SOLV 2205 0.0000000000
|
|
6834 2406 TIP3 H2 10.3350969908 37.6979633676 31.6209643124 SOLV 2205 0.0000000000
|
|
6835 2407 TIP3 OH2 12.2380426011 35.6484298503 32.1653666790 SOLV 2206 0.0000000000
|
|
6836 2407 TIP3 H1 11.5213081192 35.9609669582 31.5765846451 SOLV 2206 0.0000000000
|
|
6837 2407 TIP3 H2 12.9137947947 36.2984965568 31.8870642567 SOLV 2206 0.0000000000
|
|
6838 2408 TIP3 OH2 14.7027151831 37.2899454320 31.7151512567 SOLV 2207 0.0000000000
|
|
6839 2408 TIP3 H1 14.9573612024 38.2284771188 31.5779103399 SOLV 2207 0.0000000000
|
|
6840 2408 TIP3 H2 15.1318645322 36.8485717070 30.9517160033 SOLV 2207 0.0000000000
|
|
6841 2409 TIP3 OH2 2.7621852055 36.3629618289 29.4168866204 SOLV 2208 0.0000000000
|
|
6842 2409 TIP3 H1 2.3263079289 35.7888071947 30.0909016514 SOLV 2208 0.0000000000
|
|
6843 2409 TIP3 H2 3.5519306489 35.8252730091 29.1897936564 SOLV 2208 0.0000000000
|
|
6844 2410 TIP3 OH2 4.7151223666 34.8710541636 28.3849011387 SOLV 2209 0.0000000000
|
|
6845 2410 TIP3 H1 4.6477010833 33.9596071921 28.7489362498 SOLV 2209 0.0000000000
|
|
6846 2410 TIP3 H2 5.6337562834 35.0752899303 28.6698279581 SOLV 2209 0.0000000000
|
|
6847 2411 TIP3 OH2 7.1578966205 35.1289466639 29.3827068164 SOLV 2210 0.0000000000
|
|
6848 2411 TIP3 H1 7.4109171116 34.1925295061 29.2005825991 SOLV 2210 0.0000000000
|
|
6849 2411 TIP3 H2 7.4732240938 35.2277832107 30.2981877032 SOLV 2210 0.0000000000
|
|
6850 2412 TIP3 OH2 10.3494699195 21.1690626549 28.5396488863 SOLV 2211 0.0000000000
|
|
6851 2412 TIP3 H1 9.8549582779 20.3388500816 28.6241778242 SOLV 2211 0.0000000000
|
|
6852 2412 TIP3 H2 11.0747120525 20.9067068972 27.9307055107 SOLV 2211 0.0000000000
|
|
6853 2413 TIP3 OH2 3.1500033348 19.3868247079 26.0577638663 SOLV 2212 0.0000000000
|
|
6854 2413 TIP3 H1 2.2335782482 19.2773241633 25.7048102681 SOLV 2212 0.0000000000
|
|
6855 2413 TIP3 H2 3.5162586799 18.4970965252 25.8692590955 SOLV 2212 0.0000000000
|
|
6856 2414 TIP3 OH2 2.0796884775 19.2896095990 21.4790231543 SOLV 2213 0.0000000000
|
|
6857 2414 TIP3 H1 2.5038451743 19.7916713845 20.7674948169 SOLV 2213 0.0000000000
|
|
6858 2414 TIP3 H2 2.0665498707 19.9492577177 22.2088531798 SOLV 2213 0.0000000000
|
|
6859 2415 TIP3 OH2 7.4484750124 19.0956161791 26.0713107054 SOLV 2214 0.0000000000
|
|
6860 2415 TIP3 H1 8.1783761957 19.4418461355 25.5310541148 SOLV 2214 0.0000000000
|
|
6861 2415 TIP3 H2 7.8289964385 19.1298999463 26.9662999215 SOLV 2214 0.0000000000
|
|
6862 2416 TIP3 OH2 12.3285685889 20.0440399892 27.0085585541 SOLV 2215 0.0000000000
|
|
6863 2416 TIP3 H1 12.5438856830 19.6821151546 26.1450182644 SOLV 2215 0.0000000000
|
|
6864 2416 TIP3 H2 12.2886941897 19.2344597821 27.5692708987 SOLV 2215 0.0000000000
|
|
6865 2417 TIP3 OH2 1.7943412061 35.5381737531 22.6061751190 SOLV 2216 0.0000000000
|
|
6866 2417 TIP3 H1 1.2877758055 35.1034036522 21.9080782882 SOLV 2216 0.0000000000
|
|
6867 2417 TIP3 H2 1.8497563012 36.4468246513 22.2500142066 SOLV 2216 0.0000000000
|
|
6868 2418 TIP3 OH2 3.8145929175 21.3082293668 20.2733907629 SOLV 2217 0.0000000000
|
|
6869 2418 TIP3 H1 4.3440109309 20.8178165110 19.6114313297 SOLV 2217 0.0000000000
|
|
6870 2418 TIP3 H2 4.5266112211 21.5172955414 20.8965424170 SOLV 2217 0.0000000000
|
|
6871 2419 TIP3 OH2 8.4880310143 22.0592030696 22.8925060237 SOLV 2218 0.0000000000
|
|
6872 2419 TIP3 H1 8.7112712143 21.4437175792 23.6011723041 SOLV 2218 0.0000000000
|
|
6873 2419 TIP3 H2 8.8747203944 22.8827700038 23.2857323333 SOLV 2218 0.0000000000
|
|
6874 2420 TIP3 OH2 10.6250270184 36.4681631233 21.1479050622 SOLV 2219 0.0000000000
|
|
6875 2420 TIP3 H1 11.5575285365 36.6728325703 20.9025541345 SOLV 2219 0.0000000000
|
|
6876 2420 TIP3 H2 10.3398663180 36.0190906898 20.3131519343 SOLV 2219 0.0000000000
|
|
6877 2421 TIP3 OH2 17.4905306539 36.1242011555 23.8598090349 SOLV 2220 0.0000000000
|
|
6878 2421 TIP3 H1 17.9327901874 35.5758539812 23.1972721166 SOLV 2220 0.0000000000
|
|
6879 2421 TIP3 H2 17.3055056851 36.9169473961 23.3047913664 SOLV 2220 0.0000000000
|
|
6880 2422 TIP3 OH2 3.0065335727 20.1074200676 35.5016569933 SOLV 2221 0.0000000000
|
|
6881 2422 TIP3 H1 2.4874708010 19.3115409396 35.7123297545 SOLV 2221 0.0000000000
|
|
6882 2422 TIP3 H2 3.8431191767 19.9427446516 35.9998999704 SOLV 2221 0.0000000000
|
|
6883 2423 TIP3 OH2 5.1470545750 19.5457688396 37.1508565545 SOLV 2222 0.0000000000
|
|
6884 2423 TIP3 H1 6.0590618263 19.3274738576 36.8678319331 SOLV 2222 0.0000000000
|
|
6885 2423 TIP3 H2 4.8211939374 18.6713743998 37.4468714947 SOLV 2222 0.0000000000
|
|
6886 2424 TIP3 OH2 3.8351408771 36.1767337398 19.5365076258 SOLV 2223 0.0000000000
|
|
6887 2424 TIP3 H1 3.8259390441 36.0880334637 20.5039974922 SOLV 2223 0.0000000000
|
|
6888 2424 TIP3 H2 4.6138910197 35.6211447914 19.2692851220 SOLV 2223 0.0000000000
|
|
6889 2425 TIP3 OH2 13.4887412348 19.0581907784 37.3786840764 SOLV 2224 0.0000000000
|
|
6890 2425 TIP3 H1 13.3068972908 18.5333926194 38.1914534945 SOLV 2224 0.0000000000
|
|
6891 2425 TIP3 H2 14.3690254950 18.7147058653 37.1364607173 SOLV 2224 0.0000000000
|
|
6892 2426 TIP3 OH2 16.1960520867 34.7429460281 35.8818142061 SOLV 2225 0.0000000000
|
|
6893 2426 TIP3 H1 15.6011008198 34.9777172918 35.1462208204 SOLV 2225 0.0000000000
|
|
6894 2426 TIP3 H2 16.3310376761 35.6158174729 36.2990767108 SOLV 2225 0.0000000000
|
|
6895 2427 TIP3 OH2 22.8884057325 27.3728677171 30.7200058591 SOLV 2226 0.0000000000
|
|
6896 2427 TIP3 H1 22.5295874894 26.5794189201 31.1320069306 SOLV 2226 0.0000000000
|
|
6897 2427 TIP3 H2 22.9579490597 27.9519672198 31.4758172782 SOLV 2226 0.0000000000
|
|
6898 2428 TIP3 OH2 30.8614602223 36.0681468174 28.2043630958 SOLV 2227 0.0000000000
|
|
6899 2428 TIP3 H1 30.8104323956 35.1162482118 28.0613391879 SOLV 2227 0.0000000000
|
|
6900 2428 TIP3 H2 30.3331004921 36.1943478519 29.0064275512 SOLV 2227 0.0000000000
|
|
6901 2429 TIP3 OH2 36.9652462005 22.0247136439 30.5552580649 SOLV 2228 0.0000000000
|
|
6902 2429 TIP3 H1 37.1880034925 22.8195469510 31.0900483321 SOLV 2228 0.0000000000
|
|
6903 2429 TIP3 H2 37.6297912383 22.0767160309 29.8502206565 SOLV 2228 0.0000000000
|
|
6904 2430 TIP3 OH2 37.4980896444 23.7910799032 32.6736808056 SOLV 2229 0.0000000000
|
|
6905 2430 TIP3 H1 36.7427610029 24.3961719268 32.4931220935 SOLV 2229 0.0000000000
|
|
6906 2430 TIP3 H2 37.4520742868 23.7861546458 33.6385624746 SOLV 2229 0.0000000000
|
|
6907 2431 TIP3 OH2 23.3666242697 22.0664072479 31.2989129232 SOLV 2230 0.0000000000
|
|
6908 2431 TIP3 H1 23.1482540813 22.5787137652 30.5183292075 SOLV 2230 0.0000000000
|
|
6909 2431 TIP3 H2 22.6327585226 22.2980494755 31.9098879849 SOLV 2230 0.0000000000
|
|
6910 2432 TIP3 OH2 26.3999558242 30.0449832038 31.1863130486 SOLV 2231 0.0000000000
|
|
6911 2432 TIP3 H1 25.7094563981 30.5416103586 31.6775269249 SOLV 2231 0.0000000000
|
|
6912 2432 TIP3 H2 26.4013521850 30.5292276290 30.3588471364 SOLV 2231 0.0000000000
|
|
6913 2433 TIP3 OH2 24.4123718072 31.8602498906 32.3988471086 SOLV 2232 0.0000000000
|
|
6914 2433 TIP3 H1 24.4690117183 32.8366729944 32.3124509213 SOLV 2232 0.0000000000
|
|
6915 2433 TIP3 H2 23.4868638264 31.7751407975 32.7251649024 SOLV 2232 0.0000000000
|
|
6916 2434 TIP3 OH2 34.1186069317 33.4217214993 30.1826302269 SOLV 2233 0.0000000000
|
|
6917 2434 TIP3 H1 33.1384861329 33.5302330383 30.2047890880 SOLV 2233 0.0000000000
|
|
6918 2434 TIP3 H2 34.3819871689 34.3253108510 29.8701410091 SOLV 2233 0.0000000000
|
|
6919 2435 TIP3 OH2 34.6458616151 21.3072978524 31.5604936665 SOLV 2234 0.0000000000
|
|
6920 2435 TIP3 H1 34.1892941898 21.8705605571 30.9218150629 SOLV 2234 0.0000000000
|
|
6921 2435 TIP3 H2 35.5498096334 21.3597023645 31.1607441557 SOLV 2234 0.0000000000
|
|
6922 2436 TIP3 OH2 36.6438848137 27.9301310359 31.5550683248 SOLV 2235 0.0000000000
|
|
6923 2436 TIP3 H1 36.6926071513 28.8150877159 31.1569110448 SOLV 2235 0.0000000000
|
|
6924 2436 TIP3 H2 37.3438429967 27.5032978053 31.0238092750 SOLV 2235 0.0000000000
|
|
6925 2437 TIP3 OH2 33.0161936976 26.8945535147 33.4928734294 SOLV 2236 0.0000000000
|
|
6926 2437 TIP3 H1 32.3040019709 26.9019986639 34.1411355032 SOLV 2236 0.0000000000
|
|
6927 2437 TIP3 H2 32.4780851050 26.8459823763 32.6778183991 SOLV 2236 0.0000000000
|
|
6928 2438 TIP3 OH2 31.5037658903 33.3419511109 30.7602232892 SOLV 2237 0.0000000000
|
|
6929 2438 TIP3 H1 31.2772890722 34.1531767679 31.2529563212 SOLV 2237 0.0000000000
|
|
6930 2438 TIP3 H2 31.0826596411 32.6729950874 31.3164142548 SOLV 2237 0.0000000000
|
|
6931 2439 TIP3 OH2 26.1403958139 32.0746622140 34.4810298982 SOLV 2238 0.0000000000
|
|
6932 2439 TIP3 H1 25.4203713451 32.5269068398 34.9754915229 SOLV 2238 0.0000000000
|
|
6933 2439 TIP3 H2 25.6229674802 31.8788345739 33.6662009948 SOLV 2238 0.0000000000
|
|
6934 2440 TIP3 OH2 22.8819588855 28.0887327838 33.9106566316 SOLV 2239 0.0000000000
|
|
6935 2440 TIP3 H1 22.9781478070 28.9298445647 34.3961033956 SOLV 2239 0.0000000000
|
|
6936 2440 TIP3 H2 21.9289568679 27.8872009648 34.0361914500 SOLV 2239 0.0000000000
|
|
6937 2441 TIP3 OH2 24.0752679175 33.7355929080 35.3185843594 SOLV 2240 0.0000000000
|
|
6938 2441 TIP3 H1 24.0413778752 34.2101328147 34.4655187870 SOLV 2240 0.0000000000
|
|
6939 2441 TIP3 H2 23.1138660197 33.6750947919 35.5245457359 SOLV 2240 0.0000000000
|
|
6940 2442 TIP3 OH2 36.5423029862 33.7463159086 20.3766693881 SOLV 2241 0.0000000000
|
|
6941 2442 TIP3 H1 36.9015552988 34.6451743913 20.5241048586 SOLV 2241 0.0000000000
|
|
6942 2442 TIP3 H2 37.3919679149 33.2776464517 20.4613860904 SOLV 2241 0.0000000000
|
|
6943 2443 TIP3 OH2 19.6604876806 30.0526586203 32.9407703255 SOLV 2242 0.0000000000
|
|
6944 2443 TIP3 H1 19.3320457375 29.6848876104 32.0963978414 SOLV 2242 0.0000000000
|
|
6945 2443 TIP3 H2 20.0779730870 29.2384250717 33.2746609616 SOLV 2242 0.0000000000
|
|
6946 2444 TIP3 OH2 37.8154482544 34.2449680125 35.7920298107 SOLV 2243 0.0000000000
|
|
6947 2444 TIP3 H1 37.6783769998 33.3794126696 35.3805161265 SOLV 2243 0.0000000000
|
|
6948 2444 TIP3 H2 36.8811035485 34.5856031490 35.7934354289 SOLV 2243 0.0000000000
|
|
6949 2445 TIP3 OH2 28.4388501944 33.3551951636 33.7624558902 SOLV 2244 0.0000000000
|
|
6950 2445 TIP3 H1 28.4716620942 34.2277876640 34.2079896042 SOLV 2244 0.0000000000
|
|
6951 2445 TIP3 H2 27.5878308492 32.9899451197 34.1030832609 SOLV 2244 0.0000000000
|
|
6952 2446 TIP3 OH2 29.7828857756 37.0597400562 23.8126159640 SOLV 2245 0.0000000000
|
|
6953 2446 TIP3 H1 29.4277550158 36.9501828632 22.9003594724 SOLV 2245 0.0000000000
|
|
6954 2446 TIP3 H2 29.2456581714 37.8045007928 24.1509958226 SOLV 2245 0.0000000000
|
|
6955 2447 TIP3 OH2 22.4282581846 35.9986539026 25.9574426197 SOLV 2246 0.0000000000
|
|
6956 2447 TIP3 H1 23.3290275992 35.6727061889 26.1041395351 SOLV 2246 0.0000000000
|
|
6957 2447 TIP3 H2 22.2234424060 35.6415996727 25.0892375204 SOLV 2246 0.0000000000
|
|
6958 2448 TIP3 OH2 32.1835195424 36.3941743378 20.6469631540 SOLV 2247 0.0000000000
|
|
6959 2448 TIP3 H1 32.7233699981 35.6761571863 20.2395185897 SOLV 2247 0.0000000000
|
|
6960 2448 TIP3 H2 32.2691079885 36.1807960832 21.6051605221 SOLV 2247 0.0000000000
|
|
6961 2449 TIP3 OH2 32.1614490872 36.0313790156 23.3123316176 SOLV 2248 0.0000000000
|
|
6962 2449 TIP3 H1 31.2859925223 36.4172311640 23.5157712123 SOLV 2248 0.0000000000
|
|
6963 2449 TIP3 H2 32.1295853915 35.2314048788 23.8617194765 SOLV 2248 0.0000000000
|
|
6964 2450 TIP3 OH2 34.4800000347 25.1833019434 35.8417160907 SOLV 2249 0.0000000000
|
|
6965 2450 TIP3 H1 34.1135216134 25.1839088886 34.9413183747 SOLV 2249 0.0000000000
|
|
6966 2450 TIP3 H2 34.5181151773 24.2247539244 36.0585696130 SOLV 2249 0.0000000000
|
|
6967 2451 TIP3 OH2 21.9435622564 31.9046412590 33.5101721828 SOLV 2250 0.0000000000
|
|
6968 2451 TIP3 H1 22.0815073206 31.6068513049 34.4378965176 SOLV 2250 0.0000000000
|
|
6969 2451 TIP3 H2 21.1702376712 31.3803899375 33.2291562283 SOLV 2250 0.0000000000
|
|
6970 2452 TIP3 OH2 29.3938428472 19.7148945556 32.9360589385 SOLV 2251 0.0000000000
|
|
6971 2452 TIP3 H1 29.7958499490 19.2651141465 33.7191415351 SOLV 2251 0.0000000000
|
|
6972 2452 TIP3 H2 28.4447558155 19.7171494449 33.1822989464 SOLV 2251 0.0000000000
|
|
6973 2453 TIP3 OH2 32.3482942218 23.8688391032 33.9672712219 SOLV 2252 0.0000000000
|
|
6974 2453 TIP3 H1 31.6914836955 23.6227576030 34.6724947052 SOLV 2252 0.0000000000
|
|
6975 2453 TIP3 H2 31.7759204303 24.3037923759 33.3150560208 SOLV 2252 0.0000000000
|
|
6976 2454 TIP3 OH2 32.8206959974 28.5014213532 19.2905914134 SOLV 2253 0.0000000000
|
|
6977 2454 TIP3 H1 32.9236862469 28.2965449706 18.3409593301 SOLV 2253 0.0000000000
|
|
6978 2454 TIP3 H2 33.7609615231 28.5916021377 19.5444362177 SOLV 2253 0.0000000000
|
|
6979 2455 TIP3 OH2 24.9887429771 25.5935968293 30.7556374282 SOLV 2254 0.0000000000
|
|
6980 2455 TIP3 H1 24.2899497843 25.2752018069 31.3743720676 SOLV 2254 0.0000000000
|
|
6981 2455 TIP3 H2 24.4817766065 26.3459026179 30.3869960594 SOLV 2254 0.0000000000
|
|
6982 2456 TIP3 OH2 29.2090039197 25.9200635740 35.7846323330 SOLV 2255 0.0000000000
|
|
6983 2456 TIP3 H1 28.7031226423 25.1708749256 36.1823878397 SOLV 2255 0.0000000000
|
|
6984 2456 TIP3 H2 30.0438125118 25.8600874991 36.2775376781 SOLV 2255 0.0000000000
|
|
6985 2457 TIP3 OH2 22.8732954094 25.1622092212 32.3414088891 SOLV 2256 0.0000000000
|
|
6986 2457 TIP3 H1 22.7146481199 25.6780429311 33.1390963847 SOLV 2256 0.0000000000
|
|
6987 2457 TIP3 H2 22.2454008752 24.4244099573 32.4975168399 SOLV 2256 0.0000000000
|
|
6988 2458 TIP3 OH2 26.0811246380 22.9328244311 19.6397007332 SOLV 2257 0.0000000000
|
|
6989 2458 TIP3 H1 25.8429362811 22.8651165885 20.5715108948 SOLV 2257 0.0000000000
|
|
6990 2458 TIP3 H2 25.3222309213 23.4194410292 19.2643420191 SOLV 2257 0.0000000000
|
|
6991 2459 TIP3 OH2 30.8237161166 26.5128772471 31.7789543953 SOLV 2258 0.0000000000
|
|
6992 2459 TIP3 H1 30.4968023638 26.3249495053 30.8863227903 SOLV 2258 0.0000000000
|
|
6993 2459 TIP3 H2 30.1035037087 26.1415740223 32.3307969085 SOLV 2258 0.0000000000
|
|
6994 2460 TIP3 OH2 35.2306505510 37.6312635116 36.6400170042 SOLV 2259 0.0000000000
|
|
6995 2460 TIP3 H1 35.4904234129 37.9356390917 35.7551620316 SOLV 2259 0.0000000000
|
|
6996 2460 TIP3 H2 35.9786185441 38.0005409858 37.1516668324 SOLV 2259 0.0000000000
|
|
6997 2461 TIP3 OH2 22.7836972430 30.2863490821 35.9549954130 SOLV 2260 0.0000000000
|
|
6998 2461 TIP3 H1 23.4603909140 30.2993101849 36.6680515035 SOLV 2260 0.0000000000
|
|
6999 2461 TIP3 H2 21.9481248225 30.4333095028 36.4570450713 SOLV 2260 0.0000000000
|
|
7000 2462 TIP3 OH2 27.0322318654 24.0214853418 31.1760894433 SOLV 2261 0.0000000000
|
|
7001 2462 TIP3 H1 26.3181078314 24.6648468662 30.9840285454 SOLV 2261 0.0000000000
|
|
7002 2462 TIP3 H2 27.6741011372 24.5584742693 31.6752091037 SOLV 2261 0.0000000000
|
|
7003 2463 TIP3 OH2 29.5999860518 30.7465307732 33.8653643258 SOLV 2262 0.0000000000
|
|
7004 2463 TIP3 H1 29.0256219843 30.1020639095 34.3143553755 SOLV 2262 0.0000000000
|
|
7005 2463 TIP3 H2 29.0721063969 31.5638002919 33.9163382212 SOLV 2262 0.0000000000
|
|
7006 2464 TIP3 OH2 20.2526137356 27.4791189180 33.9272590320 SOLV 2263 0.0000000000
|
|
7007 2464 TIP3 H1 19.8490779742 27.1063758690 34.7456472740 SOLV 2263 0.0000000000
|
|
7008 2464 TIP3 H2 19.6260982261 27.1823917833 33.2529687297 SOLV 2263 0.0000000000
|
|
7009 2465 TIP3 OH2 27.0139117175 27.6780216234 35.9356605493 SOLV 2264 0.0000000000
|
|
7010 2465 TIP3 H1 26.4262081413 27.2214691304 35.2936007753 SOLV 2264 0.0000000000
|
|
7011 2465 TIP3 H2 27.8468947810 27.1976907747 35.7809408696 SOLV 2264 0.0000000000
|
|
7012 2466 TIP3 OH2 31.6358953562 33.3041291870 34.0438545835 SOLV 2265 0.0000000000
|
|
7013 2466 TIP3 H1 30.7423736614 33.0307235468 33.7913043176 SOLV 2265 0.0000000000
|
|
7014 2466 TIP3 H2 31.4995773125 33.4069425556 35.0106815332 SOLV 2265 0.0000000000
|
|
7015 2467 TIP3 OH2 37.2206252554 25.5629744402 21.9751879873 SOLV 2266 0.0000000000
|
|
7016 2467 TIP3 H1 36.5261077485 25.4338318266 21.2833996768 SOLV 2266 0.0000000000
|
|
7017 2467 TIP3 H2 37.3506802540 26.5300465109 21.8381989775 SOLV 2266 0.0000000000
|
|
7018 2468 TIP3 OH2 37.5187681442 31.2775377504 35.2529632842 SOLV 2267 0.0000000000
|
|
7019 2468 TIP3 H1 36.5635557623 31.2881767084 35.0545585771 SOLV 2267 0.0000000000
|
|
7020 2468 TIP3 H2 37.9496192378 31.0544310871 34.3811715624 SOLV 2267 0.0000000000
|
|
7021 2469 TIP3 OH2 27.3872859555 35.0333052480 31.7097905989 SOLV 2268 0.0000000000
|
|
7022 2469 TIP3 H1 28.0203366727 35.7574820767 31.5849577918 SOLV 2268 0.0000000000
|
|
7023 2469 TIP3 H2 27.9065974941 34.4224252960 32.2787595332 SOLV 2268 0.0000000000
|
|
7024 2470 TIP3 OH2 31.1773276036 30.3814948406 31.5969884832 SOLV 2269 0.0000000000
|
|
7025 2470 TIP3 H1 30.6831977516 30.4657570069 32.4500693685 SOLV 2269 0.0000000000
|
|
7026 2470 TIP3 H2 30.6119711815 29.7617956052 31.1151426777 SOLV 2269 0.0000000000
|
|
7027 2471 TIP3 OH2 33.3906159655 35.3935838783 33.8719332077 SOLV 2270 0.0000000000
|
|
7028 2471 TIP3 H1 32.5793207049 34.8784092366 33.6632743488 SOLV 2270 0.0000000000
|
|
7029 2471 TIP3 H2 33.4297529629 36.0269576235 33.1320535559 SOLV 2270 0.0000000000
|
|
7030 2472 TIP3 OH2 37.4700019880 36.3445475187 20.7842132712 SOLV 2271 0.0000000000
|
|
7031 2472 TIP3 H1 38.1270101856 37.0240160373 20.5107046860 SOLV 2271 0.0000000000
|
|
7032 2472 TIP3 H2 36.7276601537 36.9376230718 21.0232864391 SOLV 2271 0.0000000000
|
|
7033 2473 TIP3 OH2 21.4606439554 22.8156939464 33.0677148722 SOLV 2272 0.0000000000
|
|
7034 2473 TIP3 H1 20.5259284832 22.6076744684 32.9254834288 SOLV 2272 0.0000000000
|
|
7035 2473 TIP3 H2 21.6098355862 22.3906851788 33.9336606489 SOLV 2272 0.0000000000
|
|
7036 2474 TIP3 OH2 21.3786843216 34.4533737560 31.8761318887 SOLV 2273 0.0000000000
|
|
7037 2474 TIP3 H1 21.5496821466 33.6420982256 32.3803477105 SOLV 2273 0.0000000000
|
|
7038 2474 TIP3 H2 21.2577442423 35.0852594661 32.5914848852 SOLV 2273 0.0000000000
|
|
7039 2475 TIP3 OH2 27.4016192471 32.5007261459 19.5821910629 SOLV 2274 0.0000000000
|
|
7040 2475 TIP3 H1 27.3398373074 31.7577466909 18.9475912896 SOLV 2274 0.0000000000
|
|
7041 2475 TIP3 H2 26.4697586668 32.5738519149 19.8250172902 SOLV 2274 0.0000000000
|
|
7042 2476 TIP3 OH2 30.0365229057 22.5155016332 32.8179046091 SOLV 2275 0.0000000000
|
|
7043 2476 TIP3 H1 31.0008138157 22.4373963599 32.7777101197 SOLV 2275 0.0000000000
|
|
7044 2476 TIP3 H2 29.7891917121 21.5742647420 32.8588012409 SOLV 2275 0.0000000000
|
|
7045 2477 TIP3 OH2 29.0386367557 25.0384004672 33.2013740381 SOLV 2276 0.0000000000
|
|
7046 2477 TIP3 H1 28.9750262522 25.1165768042 34.1726574955 SOLV 2276 0.0000000000
|
|
7047 2477 TIP3 H2 29.2360507884 24.0799984395 33.0696661830 SOLV 2276 0.0000000000
|
|
7048 2478 TIP3 OH2 34.7945371559 22.6257073579 34.1157620951 SOLV 2277 0.0000000000
|
|
7049 2478 TIP3 H1 33.9140620058 23.0721327685 34.1069659323 SOLV 2277 0.0000000000
|
|
7050 2478 TIP3 H2 34.7746645116 22.1433201637 33.2683793319 SOLV 2277 0.0000000000
|
|
7051 2479 TIP3 OH2 34.8577791461 35.9916054189 29.7571836800 SOLV 2278 0.0000000000
|
|
7052 2479 TIP3 H1 34.8290638124 36.6417429606 29.0265616281 SOLV 2278 0.0000000000
|
|
7053 2479 TIP3 H2 35.8046975303 36.0874711693 30.0165099263 SOLV 2278 0.0000000000
|
|
7054 2480 TIP3 OH2 24.9322033496 35.6168039392 37.1571574400 SOLV 2279 0.0000000000
|
|
7055 2480 TIP3 H1 25.6703137220 35.1423651110 37.5502535797 SOLV 2279 0.0000000000
|
|
7056 2480 TIP3 H2 24.6394894039 34.9998299044 36.4472132915 SOLV 2279 0.0000000000
|
|
7057 2481 TIP3 OH2 28.9768493590 34.7612855833 18.9053895192 SOLV 2280 0.0000000000
|
|
7058 2481 TIP3 H1 28.4972473671 34.0177973606 19.3337023945 SOLV 2280 0.0000000000
|
|
7059 2481 TIP3 H2 29.7956267675 34.3117861437 18.6217207970 SOLV 2280 0.0000000000
|
|
7060 2482 TIP3 OH2 31.2232081692 33.5948499749 36.7501186230 SOLV 2281 0.0000000000
|
|
7061 2482 TIP3 H1 30.9957087882 32.7834416372 37.2556080927 SOLV 2281 0.0000000000
|
|
7062 2482 TIP3 H2 32.0615526298 33.8399729597 37.2107171049 SOLV 2281 0.0000000000
|
|
7063 2483 TIP3 OH2 33.7786904684 34.4688212024 19.5281087377 SOLV 2282 0.0000000000
|
|
7064 2483 TIP3 H1 34.5466908114 34.2697411012 20.0965861928 SOLV 2282 0.0000000000
|
|
7065 2483 TIP3 H2 34.2290801546 34.5055167575 18.6558767290 SOLV 2282 0.0000000000
|
|
7066 2484 TIP3 OH2 20.3292962623 30.4919889364 36.8826545116 SOLV 2283 0.0000000000
|
|
7067 2484 TIP3 H1 20.2102429021 29.5353252501 37.0125808846 SOLV 2283 0.0000000000
|
|
7068 2484 TIP3 H2 19.5949457523 30.7146876287 36.2753120319 SOLV 2283 0.0000000000
|
|
7069 2485 TIP3 OH2 24.5986810328 30.5860423929 19.2576294676 SOLV 2284 0.0000000000
|
|
7070 2485 TIP3 H1 24.3684485740 29.7164563495 19.6118273034 SOLV 2284 0.0000000000
|
|
7071 2485 TIP3 H2 25.4351856551 30.4092293418 18.7785016075 SOLV 2284 0.0000000000
|
|
7072 2486 TIP3 OH2 26.8444272694 30.3217786797 36.6824573136 SOLV 2285 0.0000000000
|
|
7073 2486 TIP3 H1 26.7360638905 30.8006204484 35.8406908086 SOLV 2285 0.0000000000
|
|
7074 2486 TIP3 H2 26.9183353730 29.3766100360 36.3757203325 SOLV 2285 0.0000000000
|
|
7075 2487 TIP3 OH2 30.3452519065 31.5340485127 19.6191850790 SOLV 2286 0.0000000000
|
|
7076 2487 TIP3 H1 29.4104242290 31.7001991987 19.8442664274 SOLV 2286 0.0000000000
|
|
7077 2487 TIP3 H2 30.2925269047 30.6083163895 19.2858067218 SOLV 2286 0.0000000000
|
|
7078 2488 TIP3 OH2 21.0797489206 27.4737553851 36.8277319473 SOLV 2287 0.0000000000
|
|
7079 2488 TIP3 H1 22.0005582360 27.3979748141 36.5480097836 SOLV 2287 0.0000000000
|
|
7080 2488 TIP3 H2 21.1575913903 27.6284678634 37.8046682788 SOLV 2287 0.0000000000
|
|
7081 2489 TIP3 OH2 25.1625393447 26.7030796946 34.1366841907 SOLV 2288 0.0000000000
|
|
7082 2489 TIP3 H1 24.3740990949 27.2738241016 34.0458321498 SOLV 2288 0.0000000000
|
|
7083 2489 TIP3 H2 25.7640485237 27.1097161117 33.4592586880 SOLV 2288 0.0000000000
|
|
7084 2490 TIP3 OH2 30.3004169967 29.0951509439 37.3847474666 SOLV 2289 0.0000000000
|
|
7085 2490 TIP3 H1 30.9622612020 28.6566698522 36.8299078744 SOLV 2289 0.0000000000
|
|
7086 2490 TIP3 H2 29.8691831903 28.3201517628 37.7965714283 SOLV 2289 0.0000000000
|
|
7087 2491 TIP3 OH2 35.6647160261 28.7814259664 19.4242376382 SOLV 2290 0.0000000000
|
|
7088 2491 TIP3 H1 35.8528149474 28.4940348763 18.4958069751 SOLV 2290 0.0000000000
|
|
7089 2491 TIP3 H2 35.5967269086 29.7462375800 19.3090766557 SOLV 2290 0.0000000000
|
|
7090 2492 TIP3 OH2 25.5515151271 24.0394425478 34.7871681916 SOLV 2291 0.0000000000
|
|
7091 2492 TIP3 H1 25.6356838639 23.4401659064 34.0093301630 SOLV 2291 0.0000000000
|
|
7092 2492 TIP3 H2 25.4181143313 24.9215394781 34.3659061890 SOLV 2291 0.0000000000
|
|
7093 2493 TIP3 OH2 25.7159326693 22.2287668578 32.5892314474 SOLV 2292 0.0000000000
|
|
7094 2493 TIP3 H1 26.2665620556 22.7793260997 31.9818967533 SOLV 2292 0.0000000000
|
|
7095 2493 TIP3 H2 24.8633163229 22.1730494720 32.0956930905 SOLV 2292 0.0000000000
|
|
7096 2494 TIP3 OH2 27.1362126917 27.8048172254 32.7185501201 SOLV 2293 0.0000000000
|
|
7097 2494 TIP3 H1 27.8335739993 27.3630903581 32.2341982090 SOLV 2293 0.0000000000
|
|
7098 2494 TIP3 H2 26.8795394478 28.5383686210 32.1176300545 SOLV 2293 0.0000000000
|
|
7099 2495 TIP3 OH2 31.3853184214 25.2899714101 37.6257880845 SOLV 2294 0.0000000000
|
|
7100 2495 TIP3 H1 31.1662219212 24.3552662518 37.4581493000 SOLV 2294 0.0000000000
|
|
7101 2495 TIP3 H2 32.2770770321 25.3581893312 37.2489363011 SOLV 2294 0.0000000000
|
|
7102 2496 TIP3 OH2 32.9579502283 28.3142240281 36.3449187639 SOLV 2295 0.0000000000
|
|
7103 2496 TIP3 H1 33.0472204999 29.0667566360 35.7531287290 SOLV 2295 0.0000000000
|
|
7104 2496 TIP3 H2 33.4981955277 27.6341465100 35.9112600362 SOLV 2295 0.0000000000
|
|
7105 2497 TIP3 OH2 24.0429541794 24.5345699775 37.1064146148 SOLV 2296 0.0000000000
|
|
7106 2497 TIP3 H1 23.1735972402 24.0888115168 36.9899345285 SOLV 2296 0.0000000000
|
|
7107 2497 TIP3 H2 24.4514202469 24.4207855541 36.2253793271 SOLV 2296 0.0000000000
|
|
7108 2498 TIP3 OH2 26.6157413268 19.7069717932 33.1252581686 SOLV 2297 0.0000000000
|
|
7109 2498 TIP3 H1 26.3284154519 20.6387612377 32.9753494368 SOLV 2297 0.0000000000
|
|
7110 2498 TIP3 H2 25.9490481309 19.2002256704 32.6400440858 SOLV 2297 0.0000000000
|
|
7111 2499 TIP3 OH2 27.7587162917 23.7756046601 36.6107706992 SOLV 2298 0.0000000000
|
|
7112 2499 TIP3 H1 27.2292287848 23.3614491527 37.3243774264 SOLV 2298 0.0000000000
|
|
7113 2499 TIP3 H2 27.1144893426 23.7807914158 35.8741218187 SOLV 2298 0.0000000000
|
|
7114 2500 TIP3 OH2 30.6409403980 23.1390024610 35.9026296917 SOLV 2299 0.0000000000
|
|
7115 2500 TIP3 H1 29.6747458316 23.0058729890 35.9596549746 SOLV 2299 0.0000000000
|
|
7116 2500 TIP3 H2 30.9958205261 22.4937170191 36.5345532775 SOLV 2299 0.0000000000
|
|
7117 2501 TIP3 OH2 32.3496488448 21.8234886429 37.7208304917 SOLV 2300 0.0000000000
|
|
7118 2501 TIP3 H1 32.3654475398 20.8450752420 37.5729389119 SOLV 2300 0.0000000000
|
|
7119 2501 TIP3 H2 32.1114114249 21.9058007257 38.6512027394 SOLV 2300 0.0000000000
|
|
7120 2502 TIP3 OH2 21.8735298797 22.6260949814 37.0664852364 SOLV 2301 0.0000000000
|
|
7121 2502 TIP3 H1 21.9487298766 21.8238094403 36.5181550563 SOLV 2301 0.0000000000
|
|
7122 2502 TIP3 H2 22.0575982820 22.3064669367 37.9765653812 SOLV 2301 0.0000000000
|
|
7123 2503 TIP3 OH2 26.4042895245 18.8828521557 35.8971051306 SOLV 2302 0.0000000000
|
|
7124 2503 TIP3 H1 26.9628023292 18.0893943853 35.8722012904 SOLV 2302 0.0000000000
|
|
7125 2503 TIP3 H2 26.4239187111 19.1022155286 34.9442983299 SOLV 2302 0.0000000000
|
|
7126 2504 TIP3 OH2 27.2300269737 20.4656472314 37.9943224444 SOLV 2303 0.0000000000
|
|
7127 2504 TIP3 H1 27.0495415873 19.9330561174 37.1880789222 SOLV 2303 0.0000000000
|
|
7128 2504 TIP3 H2 26.6010693015 21.2098907370 37.8655523894 SOLV 2303 0.0000000000
|
|
7129 2505 TIP3 OH2 26.9122627688 37.8574759443 21.0589939349 SOLV 2304 0.0000000000
|
|
7130 2505 TIP3 H1 27.7184409389 37.3293272967 21.1428609611 SOLV 2304 0.0000000000
|
|
7131 2505 TIP3 H2 27.2373102528 38.5904441286 20.5086584130 SOLV 2304 0.0000000000
|
|
7132 2506 TIP3 OH2 19.1706917517 37.1592434316 25.7615037968 SOLV 2305 0.0000000000
|
|
7133 2506 TIP3 H1 18.5681894684 36.7537220152 25.1037153460 SOLV 2305 0.0000000000
|
|
7134 2506 TIP3 H2 19.5063692553 36.3808052599 26.2218882291 SOLV 2305 0.0000000000
|
|
7135 2507 TIP3 OH2 37.4171022333 36.4954552536 30.4419925947 SOLV 2306 0.0000000000
|
|
7136 2507 TIP3 H1 37.5889922736 36.3621537450 31.3903829003 SOLV 2306 0.0000000000
|
|
7137 2507 TIP3 H2 38.3215421608 36.5292640417 30.0739746134 SOLV 2306 0.0000000000
|
|
7138 2508 TIP3 OH2 37.0236178391 35.9368506195 33.1225444391 SOLV 2307 0.0000000000
|
|
7139 2508 TIP3 H1 36.5455220773 35.1116206290 32.8839770092 SOLV 2307 0.0000000000
|
|
7140 2508 TIP3 H2 37.6503804672 35.6244419252 33.7947745960 SOLV 2307 0.0000000000
|
|
7141 2509 TIP3 OH2 35.4048900168 31.3070680135 37.9445680001 SOLV 2308 0.0000000000
|
|
7142 2509 TIP3 H1 34.6414399822 31.4043204899 38.5458490137 SOLV 2308 0.0000000000
|
|
7143 2509 TIP3 H2 35.7670596588 32.2067323382 37.9903944950 SOLV 2308 0.0000000000
|
|
7144 2510 TIP3 OH2 36.9663113855 29.9964309282 23.4044858895 SOLV 2309 0.0000000000
|
|
7145 2510 TIP3 H1 37.8169562571 30.4547029565 23.4674877303 SOLV 2309 0.0000000000
|
|
7146 2510 TIP3 H2 36.9429779829 29.4574651618 24.2170887966 SOLV 2309 0.0000000000
|
|
7147 2511 TIP3 OH2 37.0568678460 28.0589127520 25.5271536956 SOLV 2310 0.0000000000
|
|
7148 2511 TIP3 H1 36.3504654224 27.5742149289 25.9617780799 SOLV 2310 0.0000000000
|
|
7149 2511 TIP3 H2 37.7801867736 27.9937147050 26.1850763302 SOLV 2310 0.0000000000
|
|
7150 2512 TIP3 OH2 36.8153825809 30.5518345088 30.5661022138 SOLV 2311 0.0000000000
|
|
7151 2512 TIP3 H1 37.5202852778 30.0547916218 30.0857308365 SOLV 2311 0.0000000000
|
|
7152 2512 TIP3 H2 37.0825467535 31.4670167946 30.3260011234 SOLV 2311 0.0000000000
|
|
7153 2513 TIP3 OH2 35.4208698801 33.7212393467 32.5301249604 SOLV 2312 0.0000000000
|
|
7154 2513 TIP3 H1 34.6466094174 33.9243520406 33.0832168816 SOLV 2312 0.0000000000
|
|
7155 2513 TIP3 H2 35.0213170599 33.7088257126 31.6349687587 SOLV 2312 0.0000000000
|
|
7156 2514 TIP3 OH2 37.3977664087 28.1693792621 21.3864246380 SOLV 2313 0.0000000000
|
|
7157 2514 TIP3 H1 36.7056325246 28.3273634341 20.7041067241 SOLV 2313 0.0000000000
|
|
7158 2514 TIP3 H2 37.1513310536 28.8508708077 22.0575270394 SOLV 2313 0.0000000000
|
|
7159 2515 TIP3 OH2 35.5979288707 25.3859010750 19.7945840766 SOLV 2314 0.0000000000
|
|
7160 2515 TIP3 H1 35.4463456557 25.6440930962 18.8808610853 SOLV 2314 0.0000000000
|
|
7161 2515 TIP3 H2 35.2948348246 24.4616492476 19.7659427418 SOLV 2314 0.0000000000
|
|
7162 2516 TIP3 OH2 37.0222939905 26.6439993421 36.0826352697 SOLV 2315 0.0000000000
|
|
7163 2516 TIP3 H1 36.1724110259 26.1919443806 35.9963435480 SOLV 2315 0.0000000000
|
|
7164 2516 TIP3 H2 37.6462410823 25.9015989436 36.1842672544 SOLV 2315 0.0000000000
|
|
7165 2517 TIP3 OH2 34.7077935175 22.8507216643 19.2173773480 SOLV 2316 0.0000000000
|
|
7166 2517 TIP3 H1 35.2931725622 22.2610455076 19.7195957248 SOLV 2316 0.0000000000
|
|
7167 2517 TIP3 H2 33.8604079543 22.3912463414 19.2380352902 SOLV 2316 0.0000000000
|
|
7168 2518 TIP3 OH2 34.8324435787 25.3605443149 29.8481604368 SOLV 2317 0.0000000000
|
|
7169 2518 TIP3 H1 35.6817181031 25.3204491638 29.3913660685 SOLV 2317 0.0000000000
|
|
7170 2518 TIP3 H2 35.1340687847 25.3070428737 30.7688601121 SOLV 2317 0.0000000000
|
|
7171 2519 TIP3 OH2 35.3348038920 25.5814890134 32.5075889491 SOLV 2318 0.0000000000
|
|
7172 2519 TIP3 H1 34.4796591059 25.9158775367 32.8170941830 SOLV 2318 0.0000000000
|
|
7173 2519 TIP3 H2 35.8063060293 26.4104581284 32.2710886708 SOLV 2318 0.0000000000
|
|
7174 2520 TIP3 OH2 19.6935850741 23.9374601994 36.4116524779 SOLV 2319 0.0000000000
|
|
7175 2520 TIP3 H1 20.5485131621 23.5155708427 36.6667524153 SOLV 2319 0.0000000000
|
|
7176 2520 TIP3 H2 19.2227953426 23.1719582104 36.0296111251 SOLV 2319 0.0000000000
|
|
7177 2521 TIP3 OH2 37.6153343687 19.8589769468 37.3903382355 SOLV 2320 0.0000000000
|
|
7178 2521 TIP3 H1 38.3205950596 19.2602421125 37.0516377632 SOLV 2320 0.0000000000
|
|
7179 2521 TIP3 H2 37.5764766704 20.5297082647 36.6651019454 SOLV 2320 0.0000000000
|
|
7180 2522 TIP3 OH2 37.0795729234 21.5627818517 35.3730557382 SOLV 2321 0.0000000000
|
|
7181 2522 TIP3 H1 36.2426987410 22.0504020203 35.2036487746 SOLV 2321 0.0000000000
|
|
7182 2522 TIP3 H2 36.8904561200 20.7892756819 34.7979637740 SOLV 2321 0.0000000000
|
|
7183 2523 TIP3 OH2 36.6271228018 21.2788384631 20.7448245113 SOLV 2322 0.0000000000
|
|
7184 2523 TIP3 H1 37.1638247187 20.6977478367 20.1693329747 SOLV 2322 0.0000000000
|
|
7185 2523 TIP3 H2 37.2733564911 21.9569122144 21.0095974908 SOLV 2322 0.0000000000
|
|
7186 2524 TIP3 OH2 19.3229334819 20.3267040251 32.1174451541 SOLV 2323 0.0000000000
|
|
7187 2524 TIP3 H1 18.6415349923 19.9694585588 32.7078821380 SOLV 2323 0.0000000000
|
|
7188 2524 TIP3 H2 18.8630938903 21.0615746699 31.6652176516 SOLV 2323 0.0000000000
|
|
7189 2525 TIP3 OH2 21.5031955830 33.9766752653 35.9976197243 SOLV 2324 0.0000000000
|
|
7190 2525 TIP3 H1 20.5395927031 33.8815292578 35.8276153849 SOLV 2324 0.0000000000
|
|
7191 2525 TIP3 H2 21.4939817076 34.9152547058 36.2822750331 SOLV 2324 0.0000000000
|
|
7192 2526 TIP3 OH2 24.8072435134 34.6730190020 32.6670790024 SOLV 2325 0.0000000000
|
|
7193 2526 TIP3 H1 24.5866668505 35.5899389863 32.3806357344 SOLV 2325 0.0000000000
|
|
7194 2526 TIP3 H2 25.7233340017 34.6588170908 32.3395724450 SOLV 2325 0.0000000000
|
|
7195 2527 TIP3 OH2 28.5522552030 35.7360970913 35.2266304483 SOLV 2326 0.0000000000
|
|
7196 2527 TIP3 H1 28.5251272432 35.3993073040 36.1491197924 SOLV 2326 0.0000000000
|
|
7197 2527 TIP3 H2 29.4671308982 36.1032355295 35.1922654197 SOLV 2326 0.0000000000
|
|
7198 2528 TIP3 OH2 30.8415534440 37.1985179717 35.1615921259 SOLV 2327 0.0000000000
|
|
7199 2528 TIP3 H1 31.6365001773 36.9347229308 34.6805842131 SOLV 2327 0.0000000000
|
|
7200 2528 TIP3 H2 31.1968626316 37.7820454518 35.8640121325 SOLV 2327 0.0000000000
|
|
7201 2529 TIP3 OH2 36.2440021992 19.2885170540 33.9687472700 SOLV 2328 0.0000000000
|
|
7202 2529 TIP3 H1 35.5308253042 19.4253307922 33.3342346705 SOLV 2328 0.0000000000
|
|
7203 2529 TIP3 H2 36.5552174700 18.3861408474 33.7051364966 SOLV 2328 0.0000000000
|
|
7204 2530 TIP3 OH2 21.9112514001 37.8198039641 32.5104260000 SOLV 2329 0.0000000000
|
|
7205 2530 TIP3 H1 21.1433326653 38.4210908499 32.4137238269 SOLV 2329 0.0000000000
|
|
7206 2530 TIP3 H2 21.8499126725 37.6091504521 33.4545444832 SOLV 2329 0.0000000000
|
|
7207 2531 TIP3 OH2 24.3131907362 37.0593809078 31.5768374005 SOLV 2330 0.0000000000
|
|
7208 2531 TIP3 H1 23.3962676415 37.2499046385 31.8928496842 SOLV 2330 0.0000000000
|
|
7209 2531 TIP3 H2 24.4009619786 37.6815244347 30.8179516626 SOLV 2330 0.0000000000
|
|
7210 2532 TIP3 OH2 29.0625007900 37.2607340366 30.6778047582 SOLV 2331 0.0000000000
|
|
7211 2532 TIP3 H1 28.2899343961 37.6879007052 30.2905592251 SOLV 2331 0.0000000000
|
|
7212 2532 TIP3 H2 29.1535638706 37.7358096373 31.5452228223 SOLV 2331 0.0000000000
|
|
7213 2533 TIP3 OH2 31.1579558469 35.7764527364 32.0075737643 SOLV 2332 0.0000000000
|
|
7214 2533 TIP3 H1 30.5212980638 36.2752634635 31.4608517839 SOLV 2332 0.0000000000
|
|
7215 2533 TIP3 H2 31.9380490892 36.3662695664 31.9537914120 SOLV 2332 0.0000000000
|
|
7216 2534 TIP3 OH2 33.4478022918 37.2091161168 31.8515357886 SOLV 2333 0.0000000000
|
|
7217 2534 TIP3 H1 33.6882425780 38.1365232587 31.6541793394 SOLV 2333 0.0000000000
|
|
7218 2534 TIP3 H2 33.9182057783 36.7580184670 31.1195786887 SOLV 2333 0.0000000000
|
|
7219 2535 TIP3 OH2 21.3155626369 36.2031654348 29.7061590222 SOLV 2334 0.0000000000
|
|
7220 2535 TIP3 H1 21.2466486875 35.7171288008 30.5600969577 SOLV 2334 0.0000000000
|
|
7221 2535 TIP3 H2 21.7242072869 35.5263874722 29.1551132800 SOLV 2334 0.0000000000
|
|
7222 2536 TIP3 OH2 26.3066569955 35.4326902489 28.9927798846 SOLV 2335 0.0000000000
|
|
7223 2536 TIP3 H1 26.0557767369 34.5450308776 28.7263886445 SOLV 2335 0.0000000000
|
|
7224 2536 TIP3 H2 26.5638885346 35.3014960970 29.9253075880 SOLV 2335 0.0000000000
|
|
7225 2537 TIP3 OH2 35.9596780835 20.5590757889 26.4240530060 SOLV 2336 0.0000000000
|
|
7226 2537 TIP3 H1 36.5502805664 19.8926883170 26.0189120903 SOLV 2336 0.0000000000
|
|
7227 2537 TIP3 H2 36.5510900253 21.3320553676 26.4948672710 SOLV 2336 0.0000000000
|
|
7228 2538 TIP3 OH2 29.3992040065 36.6344185524 21.1035188332 SOLV 2337 0.0000000000
|
|
7229 2538 TIP3 H1 30.3390073585 36.6621915658 20.8494384775 SOLV 2337 0.0000000000
|
|
7230 2538 TIP3 H2 29.0813337386 35.9649890767 20.4765814586 SOLV 2337 0.0000000000
|
|
7231 2539 TIP3 OH2 35.9390249866 36.1863792452 23.8385690044 SOLV 2338 0.0000000000
|
|
7232 2539 TIP3 H1 35.9409429033 35.3583288190 23.3436975966 SOLV 2338 0.0000000000
|
|
7233 2539 TIP3 H2 35.8830621224 36.8615140187 23.1325380420 SOLV 2338 0.0000000000
|
|
7234 2540 TIP3 OH2 21.8090700337 20.3581606340 35.4208564080 SOLV 2339 0.0000000000
|
|
7235 2540 TIP3 H1 21.3020266628 19.5593338673 35.6041047231 SOLV 2339 0.0000000000
|
|
7236 2540 TIP3 H2 22.6601913061 20.1352883512 35.8628433826 SOLV 2339 0.0000000000
|
|
7237 2541 TIP3 OH2 23.7318919876 19.5854157706 37.3823438191 SOLV 2340 0.0000000000
|
|
7238 2541 TIP3 H1 24.6439609930 19.4039629752 37.1037953900 SOLV 2340 0.0000000000
|
|
7239 2541 TIP3 H2 23.3943757627 18.6803762226 37.4831220400 SOLV 2340 0.0000000000
|
|
7240 2542 TIP3 OH2 22.3093111244 36.2165379058 19.3292967982 SOLV 2341 0.0000000000
|
|
7241 2542 TIP3 H1 22.1150634593 36.3490033967 20.2710764801 SOLV 2341 0.0000000000
|
|
7242 2542 TIP3 H2 22.9693273801 35.4881267988 19.3445099187 SOLV 2341 0.0000000000
|
|
7243 2543 TIP3 OH2 32.2330162779 19.1472757114 37.2967561274 SOLV 2342 0.0000000000
|
|
7244 2543 TIP3 H1 32.1307949951 18.6731904959 38.1500918579 SOLV 2342 0.0000000000
|
|
7245 2543 TIP3 H2 33.1234560269 18.8405035506 37.0529537851 SOLV 2342 0.0000000000
|
|
7246 2544 TIP3 OH2 35.2347063815 35.0716695011 35.8434448779 SOLV 2343 0.0000000000
|
|
7247 2544 TIP3 H1 34.4572884062 35.0328186087 35.2384608417 SOLV 2343 0.0000000000
|
|
7248 2544 TIP3 H2 35.1740734422 35.9889833352 36.1907010371 SOLV 2343 0.0000000000
|
|
7249 2545 TIP3 OH2 50.2586465633 28.5022503375 25.5229688144 SOLV 2344 0.0000000000
|
|
7250 2545 TIP3 H1 50.2143246946 29.4755785305 25.6028777058 SOLV 2344 0.0000000000
|
|
7251 2545 TIP3 H2 49.4252382671 28.2990637371 25.0833945373 SOLV 2344 0.0000000000
|
|
7252 2546 TIP3 OH2 47.9339059407 28.3565857478 29.5142766098 SOLV 2345 0.0000000000
|
|
7253 2546 TIP3 H1 48.9035353609 28.3578445387 29.5983649770 SOLV 2345 0.0000000000
|
|
7254 2546 TIP3 H2 47.7346772938 27.4137902526 29.4300224125 SOLV 2345 0.0000000000
|
|
7255 2547 TIP3 OH2 40.7124206385 27.5664390003 30.7798705814 SOLV 2346 0.0000000000
|
|
7256 2547 TIP3 H1 40.8415837491 26.9846796709 31.5565406214 SOLV 2346 0.0000000000
|
|
7257 2547 TIP3 H2 41.6363264004 27.7507621567 30.5342718883 SOLV 2346 0.0000000000
|
|
7258 2548 TIP3 OH2 42.0029517550 32.1871737232 29.3288174491 SOLV 2347 0.0000000000
|
|
7259 2548 TIP3 H1 41.6298037497 31.3509153727 28.9807919271 SOLV 2347 0.0000000000
|
|
7260 2548 TIP3 H2 42.9373411726 32.0386860537 29.0491208988 SOLV 2347 0.0000000000
|
|
7261 2549 TIP3 OH2 38.7409434060 25.5705093935 24.3523485314 SOLV 2348 0.0000000000
|
|
7262 2549 TIP3 H1 38.5322255471 26.4589300498 24.6791016308 SOLV 2348 0.0000000000
|
|
7263 2549 TIP3 H2 38.2442421011 25.5668470732 23.5210336411 SOLV 2348 0.0000000000
|
|
7264 2550 TIP3 OH2 39.2290176439 27.9016005663 27.2787170457 SOLV 2349 0.0000000000
|
|
7265 2550 TIP3 H1 39.6111557101 27.0469995555 27.5851264601 SOLV 2349 0.0000000000
|
|
7266 2550 TIP3 H2 40.0029654020 28.4914527474 27.3200292198 SOLV 2349 0.0000000000
|
|
7267 2551 TIP3 OH2 48.5093049323 36.2399870981 27.5803264777 SOLV 2350 0.0000000000
|
|
7268 2551 TIP3 H1 49.4832597187 36.0901605459 27.6776505997 SOLV 2350 0.0000000000
|
|
7269 2551 TIP3 H2 48.3171854745 36.6690927030 28.4249468774 SOLV 2350 0.0000000000
|
|
7270 2552 TIP3 OH2 46.8835859003 30.8701944952 29.8858438574 SOLV 2351 0.0000000000
|
|
7271 2552 TIP3 H1 47.1060839133 29.9958016239 29.5016211605 SOLV 2351 0.0000000000
|
|
7272 2552 TIP3 H2 47.7808830092 31.1432850879 30.1160926829 SOLV 2351 0.0000000000
|
|
7273 2553 TIP3 OH2 43.5803038257 22.8606199616 26.9980403873 SOLV 2352 0.0000000000
|
|
7274 2553 TIP3 H1 43.6054856771 23.7289247015 26.5391042942 SOLV 2352 0.0000000000
|
|
7275 2553 TIP3 H2 42.9360452349 22.3704440938 26.4404461072 SOLV 2352 0.0000000000
|
|
7276 2554 TIP3 OH2 40.3149198424 25.5510455139 27.9676968180 SOLV 2353 0.0000000000
|
|
7277 2554 TIP3 H1 40.8777585284 24.9742464393 28.5125530078 SOLV 2353 0.0000000000
|
|
7278 2554 TIP3 H2 40.4299505655 25.1223643780 27.0928216674 SOLV 2353 0.0000000000
|
|
7279 2555 TIP3 OH2 44.7189794241 27.1145603007 27.6280650501 SOLV 2354 0.0000000000
|
|
7280 2555 TIP3 H1 45.5241942883 26.6570371124 27.9634666287 SOLV 2354 0.0000000000
|
|
7281 2555 TIP3 H2 44.2480044831 26.3587427270 27.2272578021 SOLV 2354 0.0000000000
|
|
7282 2556 TIP3 OH2 42.4384775110 22.0283903913 31.2969624826 SOLV 2355 0.0000000000
|
|
7283 2556 TIP3 H1 42.1553844975 22.5651583908 30.5258482309 SOLV 2355 0.0000000000
|
|
7284 2556 TIP3 H2 41.7208211598 22.2410795925 31.9354007790 SOLV 2355 0.0000000000
|
|
7285 2557 TIP3 OH2 49.3902494335 31.5539874349 25.0858964513 SOLV 2356 0.0000000000
|
|
7286 2557 TIP3 H1 49.1360853775 31.8517785974 24.2065486132 SOLV 2356 0.0000000000
|
|
7287 2557 TIP3 H2 49.0862910153 32.3265463682 25.6033900614 SOLV 2356 0.0000000000
|
|
7288 2558 TIP3 OH2 44.6967749588 29.8093352266 31.0814898471 SOLV 2357 0.0000000000
|
|
7289 2558 TIP3 H1 44.1938916557 30.5256708897 31.5317398188 SOLV 2357 0.0000000000
|
|
7290 2558 TIP3 H2 45.3897035402 30.3168087907 30.6024307161 SOLV 2357 0.0000000000
|
|
7291 2559 TIP3 OH2 42.1490895642 23.7767841813 29.1379779801 SOLV 2358 0.0000000000
|
|
7292 2559 TIP3 H1 42.6175983674 24.4716989909 29.6551872189 SOLV 2358 0.0000000000
|
|
7293 2559 TIP3 H2 42.8094253352 23.5229290246 28.4506637765 SOLV 2358 0.0000000000
|
|
7294 2560 TIP3 OH2 43.2736032348 31.8189881755 32.2280731701 SOLV 2359 0.0000000000
|
|
7295 2560 TIP3 H1 43.0805215009 32.3400373894 31.4296235722 SOLV 2359 0.0000000000
|
|
7296 2560 TIP3 H2 42.3818275212 31.8386203727 32.6389938920 SOLV 2359 0.0000000000
|
|
7297 2561 TIP3 OH2 39.3349181133 31.4032800133 23.0583089274 SOLV 2360 0.0000000000
|
|
7298 2561 TIP3 H1 39.0752157958 31.8424188267 22.2275608881 SOLV 2360 0.0000000000
|
|
7299 2561 TIP3 H2 39.6232176256 32.1705440207 23.5944258513 SOLV 2360 0.0000000000
|
|
7300 2562 TIP3 OH2 45.7438058456 18.9609356037 29.0641976679 SOLV 2361 0.0000000000
|
|
7301 2562 TIP3 H1 45.3705676341 18.0609441430 28.9704653137 SOLV 2361 0.0000000000
|
|
7302 2562 TIP3 H2 44.9052095019 19.4486559986 29.1939495361 SOLV 2361 0.0000000000
|
|
7303 2563 TIP3 OH2 48.4417482092 28.2751723892 22.8573604049 SOLV 2362 0.0000000000
|
|
7304 2563 TIP3 H1 47.6148966056 28.7874887768 22.7588051642 SOLV 2362 0.0000000000
|
|
7305 2563 TIP3 H2 49.0813935868 29.0068139875 22.8115225895 SOLV 2362 0.0000000000
|
|
7306 2564 TIP3 OH2 48.3741098835 26.4603444985 20.1066907996 SOLV 2363 0.0000000000
|
|
7307 2564 TIP3 H1 48.4674913164 26.6534527459 21.0610172606 SOLV 2363 0.0000000000
|
|
7308 2564 TIP3 H2 48.8063573669 25.5912985449 20.0568533612 SOLV 2363 0.0000000000
|
|
7309 2565 TIP3 OH2 43.3731067654 28.7837650187 26.0248576534 SOLV 2364 0.0000000000
|
|
7310 2565 TIP3 H1 43.2983488376 28.3724382986 25.1387861550 SOLV 2364 0.0000000000
|
|
7311 2565 TIP3 H2 43.9764920362 28.1700301794 26.4974529289 SOLV 2364 0.0000000000
|
|
7312 2566 TIP3 OH2 44.5687142019 31.8411381241 28.6696893991 SOLV 2365 0.0000000000
|
|
7313 2566 TIP3 H1 44.7994905604 32.4235712821 27.9251297140 SOLV 2365 0.0000000000
|
|
7314 2566 TIP3 H2 45.4500713524 31.7159275141 29.0841261684 SOLV 2365 0.0000000000
|
|
7315 2567 TIP3 OH2 43.3408697907 27.8203396129 29.9341252571 SOLV 2366 0.0000000000
|
|
7316 2567 TIP3 H1 43.8136035095 27.7053737284 29.0677258144 SOLV 2366 0.0000000000
|
|
7317 2567 TIP3 H2 43.9637812498 28.4133661039 30.4268001118 SOLV 2366 0.0000000000
|
|
7318 2568 TIP3 OH2 44.8219876334 31.9354258883 34.5858658373 SOLV 2367 0.0000000000
|
|
7319 2568 TIP3 H1 44.1761287391 32.5781664645 34.9703538129 SOLV 2367 0.0000000000
|
|
7320 2568 TIP3 H2 44.4123794412 31.7903222039 33.7053016140 SOLV 2367 0.0000000000
|
|
7321 2569 TIP3 OH2 41.9761511549 28.0533980754 34.0721855404 SOLV 2368 0.0000000000
|
|
7322 2569 TIP3 H1 42.0142681965 28.9131827166 34.5178457517 SOLV 2368 0.0000000000
|
|
7323 2569 TIP3 H2 41.0124557828 27.9791368075 33.9593431120 SOLV 2368 0.0000000000
|
|
7324 2570 TIP3 OH2 48.7978327583 34.3390774808 25.3803381202 SOLV 2369 0.0000000000
|
|
7325 2570 TIP3 H1 48.6069502164 34.7838500159 26.2362613001 SOLV 2369 0.0000000000
|
|
7326 2570 TIP3 H2 48.5694222446 35.0690531218 24.7771198174 SOLV 2369 0.0000000000
|
|
7327 2571 TIP3 OH2 42.9887939595 33.8106235836 35.2479910388 SOLV 2370 0.0000000000
|
|
7328 2571 TIP3 H1 42.8603939433 34.4992891258 34.5818450372 SOLV 2370 0.0000000000
|
|
7329 2571 TIP3 H2 42.0626926015 33.6117920121 35.5319391274 SOLV 2370 0.0000000000
|
|
7330 2572 TIP3 OH2 42.5238482644 27.7575779329 23.6418875082 SOLV 2371 0.0000000000
|
|
7331 2572 TIP3 H1 42.0423648275 28.5627228404 23.3618178985 SOLV 2371 0.0000000000
|
|
7332 2572 TIP3 H2 41.9318848093 27.0631629488 23.3352156131 SOLV 2371 0.0000000000
|
|
7333 2573 TIP3 OH2 38.6058162690 30.4164106904 32.9391897435 SOLV 2372 0.0000000000
|
|
7334 2573 TIP3 H1 38.2256956144 30.2838347958 32.0710956159 SOLV 2372 0.0000000000
|
|
7335 2573 TIP3 H2 38.7820784612 29.4922695858 33.2119021638 SOLV 2372 0.0000000000
|
|
7336 2574 TIP3 OH2 38.7295295866 33.1348862531 29.6656004930 SOLV 2373 0.0000000000
|
|
7337 2574 TIP3 H1 39.5523054515 32.8077817543 29.2933728375 SOLV 2373 0.0000000000
|
|
7338 2574 TIP3 H2 39.1037220411 33.8094942989 30.2745578434 SOLV 2373 0.0000000000
|
|
7339 2575 TIP3 OH2 47.4658353309 32.8637434826 34.5569280613 SOLV 2374 0.0000000000
|
|
7340 2575 TIP3 H1 47.5529015787 33.8193526772 34.7267215809 SOLV 2374 0.0000000000
|
|
7341 2575 TIP3 H2 46.5102775867 32.7045988357 34.6013807461 SOLV 2374 0.0000000000
|
|
7342 2576 TIP3 OH2 48.2517812479 36.8087843625 23.9229077787 SOLV 2375 0.0000000000
|
|
7343 2576 TIP3 H1 48.3647043957 36.8066052259 22.9549388494 SOLV 2375 0.0000000000
|
|
7344 2576 TIP3 H2 47.9172147290 37.7194601315 24.0734766226 SOLV 2375 0.0000000000
|
|
7345 2577 TIP3 OH2 41.5296429268 35.6587112818 25.9423198396 SOLV 2376 0.0000000000
|
|
7346 2577 TIP3 H1 41.7584848196 35.2815758847 26.8325121039 SOLV 2376 0.0000000000
|
|
7347 2577 TIP3 H2 41.0345686379 34.9379953143 25.5354347156 SOLV 2376 0.0000000000
|
|
7348 2578 TIP3 OH2 40.8981122715 32.0393776747 33.4313850099 SOLV 2377 0.0000000000
|
|
7349 2578 TIP3 H1 40.9060017093 31.7556042326 34.3640034368 SOLV 2377 0.0000000000
|
|
7350 2578 TIP3 H2 40.1383435446 31.5096030987 33.0909211165 SOLV 2377 0.0000000000
|
|
7351 2579 TIP3 OH2 43.3940937630 20.1895338345 29.5847637880 SOLV 2378 0.0000000000
|
|
7352 2579 TIP3 H1 42.5246358739 20.0775895862 29.1605556925 SOLV 2378 0.0000000000
|
|
7353 2579 TIP3 H2 43.1549974001 20.7938000193 30.3169792102 SOLV 2378 0.0000000000
|
|
7354 2580 TIP3 OH2 48.1939578058 19.6494165464 32.8644783078 SOLV 2379 0.0000000000
|
|
7355 2580 TIP3 H1 48.4762243625 19.1898688398 33.6849103045 SOLV 2379 0.0000000000
|
|
7356 2580 TIP3 H2 47.2048244798 19.5875467418 32.9023469542 SOLV 2379 0.0000000000
|
|
7357 2581 TIP3 OH2 47.8648419702 22.1266622642 20.4551405943 SOLV 2380 0.0000000000
|
|
7358 2581 TIP3 H1 47.3862648547 22.2435029080 21.2985323087 SOLV 2380 0.0000000000
|
|
7359 2581 TIP3 H2 47.1762843076 21.6489040340 19.9806988678 SOLV 2380 0.0000000000
|
|
7360 2582 TIP3 OH2 43.4402267653 25.3321403668 30.9324556157 SOLV 2381 0.0000000000
|
|
7361 2582 TIP3 H1 42.7205636863 25.2759249040 31.5970336478 SOLV 2381 0.0000000000
|
|
7362 2582 TIP3 H2 43.3087060471 26.2519250044 30.6008211276 SOLV 2381 0.0000000000
|
|
7363 2583 TIP3 OH2 43.2979143917 25.2976462661 25.9976536933 SOLV 2382 0.0000000000
|
|
7364 2583 TIP3 H1 42.3461528363 25.0821485218 25.8694582158 SOLV 2382 0.0000000000
|
|
7365 2583 TIP3 H2 43.5992586642 25.2747703484 25.0779845120 SOLV 2382 0.0000000000
|
|
7366 2584 TIP3 OH2 48.0895828009 25.8145918873 23.9299389506 SOLV 2383 0.0000000000
|
|
7367 2584 TIP3 H1 48.0405294247 26.7203740280 23.5896741314 SOLV 2383 0.0000000000
|
|
7368 2584 TIP3 H2 49.0444760508 25.7329087120 24.1527513310 SOLV 2383 0.0000000000
|
|
7369 2585 TIP3 OH2 48.2517402684 25.8843831956 35.6992909869 SOLV 2384 0.0000000000
|
|
7370 2585 TIP3 H1 47.8108549345 25.1464647323 36.1629949791 SOLV 2384 0.0000000000
|
|
7371 2585 TIP3 H2 49.1800763334 25.7493824983 35.9661495471 SOLV 2384 0.0000000000
|
|
7372 2586 TIP3 OH2 41.3342531564 25.3821104496 32.4486620450 SOLV 2385 0.0000000000
|
|
7373 2586 TIP3 H1 41.6397489266 25.6865943446 33.3119746691 SOLV 2385 0.0000000000
|
|
7374 2586 TIP3 H2 40.8628968922 24.5464571136 32.6740371823 SOLV 2385 0.0000000000
|
|
7375 2587 TIP3 OH2 44.7572019526 22.7666150052 19.4402732291 SOLV 2386 0.0000000000
|
|
7376 2587 TIP3 H1 44.2288835856 22.4877717983 20.2203306244 SOLV 2386 0.0000000000
|
|
7377 2587 TIP3 H2 44.2449426699 23.5194015074 19.1158631160 SOLV 2386 0.0000000000
|
|
7378 2588 TIP3 OH2 38.0789186511 22.2727106264 26.7268658044 SOLV 2387 0.0000000000
|
|
7379 2588 TIP3 H1 38.6915639210 22.1675293816 27.4773874901 SOLV 2387 0.0000000000
|
|
7380 2588 TIP3 H2 38.5744458372 22.0010619606 25.9319995180 SOLV 2387 0.0000000000
|
|
7381 2589 TIP3 OH2 38.4836641784 23.2264169808 21.5606772029 SOLV 2388 0.0000000000
|
|
7382 2589 TIP3 H1 39.2993935422 23.5245192032 21.1163505258 SOLV 2388 0.0000000000
|
|
7383 2589 TIP3 H2 38.0782121551 24.0947399893 21.7691840376 SOLV 2388 0.0000000000
|
|
7384 2590 TIP3 OH2 49.0888652223 26.8570238744 32.2772659853 SOLV 2389 0.0000000000
|
|
7385 2590 TIP3 H1 49.5389089235 26.4384938206 31.5172875916 SOLV 2389 0.0000000000
|
|
7386 2590 TIP3 H2 48.5322527814 26.1147980421 32.5907337240 SOLV 2389 0.0000000000
|
|
7387 2591 TIP3 OH2 46.2714548745 23.0625530364 26.8794627616 SOLV 2390 0.0000000000
|
|
7388 2591 TIP3 H1 45.3338406235 22.8234220488 27.0591260068 SOLV 2390 0.0000000000
|
|
7389 2591 TIP3 H2 46.7344870339 22.3415225890 27.3396148086 SOLV 2390 0.0000000000
|
|
7390 2592 TIP3 OH2 40.7976833106 24.3450614617 25.6481852196 SOLV 2391 0.0000000000
|
|
7391 2592 TIP3 H1 40.1248322246 24.6838703897 25.0089180637 SOLV 2391 0.0000000000
|
|
7392 2592 TIP3 H2 41.0866462481 23.5004036129 25.2335435656 SOLV 2391 0.0000000000
|
|
7393 2593 TIP3 OH2 43.8448638623 24.3773735761 23.2509696199 SOLV 2392 0.0000000000
|
|
7394 2593 TIP3 H1 44.7983828021 24.2782374621 23.4135205199 SOLV 2392 0.0000000000
|
|
7395 2593 TIP3 H2 43.8121765060 24.9668630792 22.4655109888 SOLV 2392 0.0000000000
|
|
7396 2594 TIP3 OH2 43.5599965997 25.7194999838 20.7900751645 SOLV 2393 0.0000000000
|
|
7397 2594 TIP3 H1 43.1308035521 25.3090798279 20.0115419402 SOLV 2393 0.0000000000
|
|
7398 2594 TIP3 H2 44.3667708564 26.0915604941 20.3541527025 SOLV 2393 0.0000000000
|
|
7399 2595 TIP3 OH2 41.4510277558 30.3709698501 35.8810768832 SOLV 2394 0.0000000000
|
|
7400 2595 TIP3 H1 42.2381208512 30.2955305169 36.4510945329 SOLV 2394 0.0000000000
|
|
7401 2595 TIP3 H2 40.7714473931 30.6128587544 36.5446998444 SOLV 2394 0.0000000000
|
|
7402 2596 TIP3 OH2 46.6517351594 25.5812770087 28.5984534685 SOLV 2395 0.0000000000
|
|
7403 2596 TIP3 H1 47.2502929758 24.9316115591 28.2048041570 SOLV 2395 0.0000000000
|
|
7404 2596 TIP3 H2 46.4414581670 25.1388977463 29.4445685130 SOLV 2395 0.0000000000
|
|
7405 2597 TIP3 OH2 41.8190367006 21.8168263107 25.2634849498 SOLV 2396 0.0000000000
|
|
7406 2597 TIP3 H1 41.3599024561 21.0227726952 25.6221853689 SOLV 2396 0.0000000000
|
|
7407 2597 TIP3 H2 42.1743868661 21.4703957312 24.4362246102 SOLV 2396 0.0000000000
|
|
7408 2598 TIP3 OH2 45.8566806440 24.0948509629 31.0577176195 SOLV 2397 0.0000000000
|
|
7409 2598 TIP3 H1 45.0320885850 24.6276133678 31.0593048212 SOLV 2397 0.0000000000
|
|
7410 2598 TIP3 H2 46.3518108792 24.5012068824 31.7875561363 SOLV 2397 0.0000000000
|
|
7411 2599 TIP3 OH2 46.5028126631 30.1258943324 22.6193304235 SOLV 2398 0.0000000000
|
|
7412 2599 TIP3 H1 45.7405326011 29.7662593989 22.1129945652 SOLV 2398 0.0000000000
|
|
7413 2599 TIP3 H2 46.0321086814 30.4600702034 23.4138476438 SOLV 2398 0.0000000000
|
|
7414 2600 TIP3 OH2 48.3674315608 30.5367893341 33.5000783775 SOLV 2399 0.0000000000
|
|
7415 2600 TIP3 H1 47.8951438873 30.0648293272 34.1884803733 SOLV 2399 0.0000000000
|
|
7416 2600 TIP3 H2 48.2284864631 31.4676576561 33.8101480554 SOLV 2399 0.0000000000
|
|
7417 2601 TIP3 OH2 41.7429857859 29.6624762450 28.2661683997 SOLV 2400 0.0000000000
|
|
7418 2601 TIP3 H1 42.2341599292 29.5639631664 27.4281190072 SOLV 2400 0.0000000000
|
|
7419 2601 TIP3 H2 42.2798381776 29.1041192978 28.8558649155 SOLV 2400 0.0000000000
|
|
7420 2602 TIP3 OH2 48.7330382919 31.6556295879 22.1870769039 SOLV 2401 0.0000000000
|
|
7421 2602 TIP3 H1 48.3057841185 32.5426345514 22.1897956059 SOLV 2401 0.0000000000
|
|
7422 2602 TIP3 H2 47.9374153831 31.0973078357 22.3151493149 SOLV 2401 0.0000000000
|
|
7423 2603 TIP3 OH2 38.9821851010 28.0299022844 34.2573802281 SOLV 2402 0.0000000000
|
|
7424 2603 TIP3 H1 39.1538096018 27.8054188462 35.2033666530 SOLV 2402 0.0000000000
|
|
7425 2603 TIP3 H2 38.1881483146 27.4921102253 34.1037494093 SOLV 2402 0.0000000000
|
|
7426 2604 TIP3 OH2 45.9402650745 27.7417474930 35.8054502424 SOLV 2403 0.0000000000
|
|
7427 2604 TIP3 H1 45.3105347014 27.3614946808 35.1691604361 SOLV 2403 0.0000000000
|
|
7428 2604 TIP3 H2 46.7222897423 27.1973881648 35.6633362710 SOLV 2403 0.0000000000
|
|
7429 2605 TIP3 OH2 44.0910830118 33.1337025033 26.1164718709 SOLV 2404 0.0000000000
|
|
7430 2605 TIP3 H1 44.4198848910 34.0444219330 25.9847009196 SOLV 2404 0.0000000000
|
|
7431 2605 TIP3 H2 43.1650849455 33.2438342686 25.8726077309 SOLV 2404 0.0000000000
|
|
7432 2606 TIP3 OH2 39.9626684133 27.7088170431 20.7361726042 SOLV 2405 0.0000000000
|
|
7433 2606 TIP3 H1 40.4731050577 28.2847951698 21.3459834409 SOLV 2405 0.0000000000
|
|
7434 2606 TIP3 H2 39.0352406118 27.9332779628 20.9771078942 SOLV 2405 0.0000000000
|
|
7435 2607 TIP3 OH2 45.0944016479 30.9131742259 24.8925320832 SOLV 2406 0.0000000000
|
|
7436 2607 TIP3 H1 44.7033495763 31.7352208713 25.2790086472 SOLV 2406 0.0000000000
|
|
7437 2607 TIP3 H2 44.8673710624 30.2752742238 25.5760661244 SOLV 2406 0.0000000000
|
|
7438 2608 TIP3 OH2 44.0283091525 35.8144495542 24.9705783541 SOLV 2407 0.0000000000
|
|
7439 2608 TIP3 H1 43.1572562263 35.8893122577 25.4340459086 SOLV 2407 0.0000000000
|
|
7440 2608 TIP3 H2 44.4648327530 36.5938737221 25.3510750766 SOLV 2407 0.0000000000
|
|
7441 2609 TIP3 OH2 49.5527387287 30.7569716491 31.0863334153 SOLV 2408 0.0000000000
|
|
7442 2609 TIP3 H1 48.9627881864 30.6366527894 31.8634454803 SOLV 2408 0.0000000000
|
|
7443 2609 TIP3 H2 49.7811924747 29.8314031108 30.8527608876 SOLV 2408 0.0000000000
|
|
7444 2610 TIP3 OH2 40.3072005251 22.7905402833 32.8908055127 SOLV 2409 0.0000000000
|
|
7445 2610 TIP3 H1 39.3818284978 23.0661668645 32.7275634677 SOLV 2409 0.0000000000
|
|
7446 2610 TIP3 H2 40.1801864995 21.9953667472 33.4463328483 SOLV 2409 0.0000000000
|
|
7447 2611 TIP3 OH2 40.0440370645 34.4103449958 31.6514114898 SOLV 2410 0.0000000000
|
|
7448 2611 TIP3 H1 40.5513432090 33.7645301208 32.1645310115 SOLV 2410 0.0000000000
|
|
7449 2611 TIP3 H2 39.8685880202 35.1471635781 32.2778623244 SOLV 2410 0.0000000000
|
|
7450 2612 TIP3 OH2 45.6108978725 33.3368556711 19.1872103525 SOLV 2411 0.0000000000
|
|
7451 2612 TIP3 H1 45.7578720690 32.5463394028 18.6531958046 SOLV 2411 0.0000000000
|
|
7452 2612 TIP3 H2 45.1843224795 32.9657733765 19.9888530771 SOLV 2411 0.0000000000
|
|
7453 2613 TIP3 OH2 44.4385577242 32.6585338537 21.6080329236 SOLV 2412 0.0000000000
|
|
7454 2613 TIP3 H1 45.0119136521 32.1614989628 22.2134632160 SOLV 2412 0.0000000000
|
|
7455 2613 TIP3 H2 44.4997527477 33.5650542714 21.9764593480 SOLV 2412 0.0000000000
|
|
7456 2614 TIP3 OH2 41.2254667853 29.6840337685 22.2039034430 SOLV 2413 0.0000000000
|
|
7457 2614 TIP3 H1 40.4609858011 30.1667421881 22.5854045414 SOLV 2413 0.0000000000
|
|
7458 2614 TIP3 H2 41.6704250438 30.3814184064 21.6825625575 SOLV 2413 0.0000000000
|
|
7459 2615 TIP3 OH2 48.5251697254 22.4291300097 33.3053376549 SOLV 2414 0.0000000000
|
|
7460 2615 TIP3 H1 48.8666798857 22.2987278877 34.2119423165 SOLV 2414 0.0000000000
|
|
7461 2615 TIP3 H2 48.4513162856 21.5059540660 32.9894433435 SOLV 2414 0.0000000000
|
|
7462 2616 TIP3 OH2 49.1478720823 22.4768939196 23.8580229534 SOLV 2415 0.0000000000
|
|
7463 2616 TIP3 H1 49.0573830024 22.7913811507 22.9412784781 SOLV 2415 0.0000000000
|
|
7464 2616 TIP3 H2 49.5538027047 23.2337446065 24.3071274153 SOLV 2415 0.0000000000
|
|
7465 2617 TIP3 OH2 47.4950272874 33.9842724186 22.2074651467 SOLV 2416 0.0000000000
|
|
7466 2617 TIP3 H1 46.6131980866 34.3586463505 22.4283235590 SOLV 2416 0.0000000000
|
|
7467 2617 TIP3 H2 48.0024634136 34.8040345464 22.1534959119 SOLV 2416 0.0000000000
|
|
7468 2618 TIP3 OH2 46.3116618160 23.8917444391 24.2538247057 SOLV 2417 0.0000000000
|
|
7469 2618 TIP3 H1 46.8847102399 24.6881131161 24.2112123654 SOLV 2417 0.0000000000
|
|
7470 2618 TIP3 H2 46.2294910982 23.7494582722 25.2286437885 SOLV 2417 0.0000000000
|
|
7471 2619 TIP3 OH2 47.4167772038 24.9125068626 33.2526863725 SOLV 2418 0.0000000000
|
|
7472 2619 TIP3 H1 47.6673660828 25.2362629714 34.1439275033 SOLV 2418 0.0000000000
|
|
7473 2619 TIP3 H2 47.9118033200 24.0696596795 33.1573238657 SOLV 2418 0.0000000000
|
|
7474 2620 TIP3 OH2 47.3963443437 20.6824648025 24.9745332150 SOLV 2419 0.0000000000
|
|
7475 2620 TIP3 H1 47.5290233590 20.8127123443 25.9286305804 SOLV 2419 0.0000000000
|
|
7476 2620 TIP3 H2 48.0604852240 21.3130043601 24.6041965180 SOLV 2419 0.0000000000
|
|
7477 2621 TIP3 OH2 45.1208282399 35.0758396372 22.5205124868 SOLV 2420 0.0000000000
|
|
7478 2621 TIP3 H1 45.2307654692 35.8808651465 21.9741351411 SOLV 2420 0.0000000000
|
|
7479 2621 TIP3 H2 44.6753804261 35.4503986835 23.3211962253 SOLV 2420 0.0000000000
|
|
7480 2622 TIP3 OH2 43.6110357887 22.0436434763 21.7570187130 SOLV 2421 0.0000000000
|
|
7481 2622 TIP3 H1 43.4465273505 22.7851056656 22.3842858270 SOLV 2421 0.0000000000
|
|
7482 2622 TIP3 H2 44.5444568748 21.8333889015 21.9864481068 SOLV 2421 0.0000000000
|
|
7483 2623 TIP3 OH2 41.9776473618 31.9604781851 20.6224431631 SOLV 2422 0.0000000000
|
|
7484 2623 TIP3 H1 42.7914694006 32.3670946568 21.0111512733 SOLV 2422 0.0000000000
|
|
7485 2623 TIP3 H2 42.4164694685 31.3501865024 19.9803416749 SOLV 2422 0.0000000000
|
|
7486 2624 TIP3 OH2 40.0724229626 24.9848192491 20.0255208099 SOLV 2423 0.0000000000
|
|
7487 2624 TIP3 H1 40.1685574165 25.9140171714 20.2846685457 SOLV 2423 0.0000000000
|
|
7488 2624 TIP3 H2 39.3030242106 25.0121313066 19.4400364708 SOLV 2423 0.0000000000
|
|
7489 2625 TIP3 OH2 40.8504591012 19.7581939357 28.7456944629 SOLV 2424 0.0000000000
|
|
7490 2625 TIP3 H1 40.7919161894 19.6339316977 27.7749991629 SOLV 2424 0.0000000000
|
|
7491 2625 TIP3 H2 40.5081858990 18.8872818932 29.0345738905 SOLV 2424 0.0000000000
|
|
7492 2626 TIP3 OH2 39.8433715082 33.7941015266 24.5834752069 SOLV 2425 0.0000000000
|
|
7493 2626 TIP3 H1 39.1170692766 33.8553367216 25.2124495988 SOLV 2425 0.0000000000
|
|
7494 2626 TIP3 H2 39.6626457800 34.5554591840 23.9824056411 SOLV 2425 0.0000000000
|
|
7495 2627 TIP3 OH2 39.2797956454 36.9101451029 36.3141966961 SOLV 2426 0.0000000000
|
|
7496 2627 TIP3 H1 39.9956194881 36.5600928609 36.9023446952 SOLV 2426 0.0000000000
|
|
7497 2627 TIP3 H2 38.9014581821 36.0681445535 36.0284906989 SOLV 2426 0.0000000000
|
|
7498 2628 TIP3 OH2 43.5608644770 34.9604195161 37.6726070578 SOLV 2427 0.0000000000
|
|
7499 2628 TIP3 H1 44.4116274216 34.5572049933 37.9465611191 SOLV 2427 0.0000000000
|
|
7500 2628 TIP3 H2 43.4654447854 34.5745009371 36.7812647424 SOLV 2427 0.0000000000
|
|
7501 2629 TIP3 OH2 48.0537744611 34.6498545968 19.0824431201 SOLV 2428 0.0000000000
|
|
7502 2629 TIP3 H1 47.2026116079 34.1807313826 19.2123530784 SOLV 2428 0.0000000000
|
|
7503 2629 TIP3 H2 48.6706381776 33.8986157919 19.1264481343 SOLV 2428 0.0000000000
|
|
7504 2630 TIP3 OH2 39.0804594705 30.4167586776 37.2681075741 SOLV 2429 0.0000000000
|
|
7505 2630 TIP3 H1 38.9587452663 29.4648493772 37.1590610514 SOLV 2429 0.0000000000
|
|
7506 2630 TIP3 H2 38.5497141515 30.7697733376 36.5181535253 SOLV 2429 0.0000000000
|
|
7507 2631 TIP3 OH2 43.4551296724 30.1803070905 19.1699991462 SOLV 2430 0.0000000000
|
|
7508 2631 TIP3 H1 43.7761044843 29.6561993889 19.9347612176 SOLV 2430 0.0000000000
|
|
7509 2631 TIP3 H2 44.2523282120 30.1483167068 18.6022983425 SOLV 2430 0.0000000000
|
|
7510 2632 TIP3 OH2 45.6530960772 30.3986118190 36.6999150152 SOLV 2431 0.0000000000
|
|
7511 2632 TIP3 H1 45.4191559640 30.8699243969 35.8736085375 SOLV 2431 0.0000000000
|
|
7512 2632 TIP3 H2 45.9973540704 29.5358885508 36.3611804735 SOLV 2431 0.0000000000
|
|
7513 2633 TIP3 OH2 48.7985211611 31.6788463625 19.1819983096 SOLV 2432 0.0000000000
|
|
7514 2633 TIP3 H1 48.8825693758 31.5551383506 20.1339799278 SOLV 2432 0.0000000000
|
|
7515 2633 TIP3 H2 48.5669060399 30.7754291186 18.8732553232 SOLV 2432 0.0000000000
|
|
7516 2634 TIP3 OH2 40.0205766980 27.4410261690 36.7405935440 SOLV 2433 0.0000000000
|
|
7517 2634 TIP3 H1 40.9462865448 27.6655475781 36.5284270378 SOLV 2433 0.0000000000
|
|
7518 2634 TIP3 H2 39.9852831624 27.6684088839 37.6931305984 SOLV 2433 0.0000000000
|
|
7519 2635 TIP3 OH2 44.4354659436 28.8359065725 21.4367292009 SOLV 2434 0.0000000000
|
|
7520 2635 TIP3 H1 43.9473110225 28.2779406491 22.0677905656 SOLV 2434 0.0000000000
|
|
7521 2635 TIP3 H2 44.8432046267 28.1774512488 20.8374344895 SOLV 2434 0.0000000000
|
|
7522 2636 TIP3 OH2 44.0475902359 26.4318386778 33.8845231179 SOLV 2435 0.0000000000
|
|
7523 2636 TIP3 H1 43.3042143742 27.0549935067 34.0645773509 SOLV 2435 0.0000000000
|
|
7524 2636 TIP3 H2 44.5602009854 26.9518865316 33.2319501702 SOLV 2435 0.0000000000
|
|
7525 2637 TIP3 OH2 45.7190678725 27.1303128168 19.6497849774 SOLV 2436 0.0000000000
|
|
7526 2637 TIP3 H1 45.7595720723 27.2974620709 18.6864655461 SOLV 2436 0.0000000000
|
|
7527 2637 TIP3 H2 46.6126594141 26.7728275302 19.8229391036 SOLV 2436 0.0000000000
|
|
7528 2638 TIP3 OH2 49.1674049342 28.9182058458 37.5288419788 SOLV 2437 0.0000000000
|
|
7529 2638 TIP3 H1 49.6970306371 28.2326752014 37.0824578723 SOLV 2437 0.0000000000
|
|
7530 2638 TIP3 H2 48.7386412085 28.3659938155 38.1998095298 SOLV 2437 0.0000000000
|
|
7531 2639 TIP3 OH2 44.4114276212 23.9341033425 34.6921248761 SOLV 2438 0.0000000000
|
|
7532 2639 TIP3 H1 44.4864606284 23.2978820585 33.9431685217 SOLV 2438 0.0000000000
|
|
7533 2639 TIP3 H2 44.3469317848 24.8117221048 34.2528473735 SOLV 2438 0.0000000000
|
|
7534 2640 TIP3 OH2 44.7642999583 22.1034294013 32.6151558769 SOLV 2439 0.0000000000
|
|
7535 2640 TIP3 H1 45.2554395488 22.6847599123 31.9976704625 SOLV 2439 0.0000000000
|
|
7536 2640 TIP3 H2 43.9060309939 22.0454786019 32.1221102970 SOLV 2439 0.0000000000
|
|
7537 2641 TIP3 OH2 45.8917944735 27.9250058895 32.6751830831 SOLV 2440 0.0000000000
|
|
7538 2641 TIP3 H1 46.8557155530 27.8512228264 32.5504185625 SOLV 2440 0.0000000000
|
|
7539 2641 TIP3 H2 45.6499356321 28.6911827662 32.1200253913 SOLV 2440 0.0000000000
|
|
7540 2642 TIP3 OH2 42.9325931273 24.4824411700 37.0409417305 SOLV 2441 0.0000000000
|
|
7541 2642 TIP3 H1 42.0689464434 24.0492399151 36.8963439907 SOLV 2441 0.0000000000
|
|
7542 2642 TIP3 H2 43.4083184319 24.2721087343 36.2051064213 SOLV 2441 0.0000000000
|
|
7543 2643 TIP3 OH2 45.3611940355 19.4561202364 33.0438238736 SOLV 2442 0.0000000000
|
|
7544 2643 TIP3 H1 45.2001781352 20.4202202400 32.9378391423 SOLV 2442 0.0000000000
|
|
7545 2643 TIP3 H2 44.5550176691 19.0817007353 32.6315797799 SOLV 2442 0.0000000000
|
|
7546 2644 TIP3 OH2 46.6167558265 23.8162453209 36.6306344670 SOLV 2443 0.0000000000
|
|
7547 2644 TIP3 H1 46.0671684671 23.4026793856 37.3363812045 SOLV 2443 0.0000000000
|
|
7548 2644 TIP3 H2 45.9805813179 23.8210831947 35.8784045471 SOLV 2443 0.0000000000
|
|
7549 2645 TIP3 OH2 48.9588284146 22.5734923741 35.9751953490 SOLV 2444 0.0000000000
|
|
7550 2645 TIP3 H1 48.0670729879 22.9703144551 36.0354462788 SOLV 2444 0.0000000000
|
|
7551 2645 TIP3 H2 48.9042688240 21.9107544773 36.6859002411 SOLV 2444 0.0000000000
|
|
7552 2646 TIP3 OH2 40.6900759287 22.9559265825 36.9760644128 SOLV 2445 0.0000000000
|
|
7553 2646 TIP3 H1 40.6408169104 22.1409319405 36.4508028093 SOLV 2445 0.0000000000
|
|
7554 2646 TIP3 H2 40.6942856522 22.6394963138 37.9058017531 SOLV 2445 0.0000000000
|
|
7555 2647 TIP3 OH2 45.4269713193 18.8047936469 35.9108593572 SOLV 2446 0.0000000000
|
|
7556 2647 TIP3 H1 46.0769357506 18.0817757228 35.9363930801 SOLV 2446 0.0000000000
|
|
7557 2647 TIP3 H2 45.3627368509 18.9503057647 34.9437544443 SOLV 2446 0.0000000000
|
|
7558 2648 TIP3 OH2 46.0837382775 20.4707711344 37.9508889260 SOLV 2447 0.0000000000
|
|
7559 2648 TIP3 H1 45.8629601789 19.8627519932 37.2122922644 SOLV 2447 0.0000000000
|
|
7560 2648 TIP3 H2 45.4329603534 21.2045732232 37.8112584833 SOLV 2447 0.0000000000
|
|
7561 2649 TIP3 OH2 45.8765861188 37.4240321390 21.2887386412 SOLV 2448 0.0000000000
|
|
7562 2649 TIP3 H1 46.8069787532 37.1273255454 21.3329951839 SOLV 2448 0.0000000000
|
|
7563 2649 TIP3 H2 45.9525165094 38.1818638097 20.6743005194 SOLV 2448 0.0000000000
|
|
7564 2650 TIP3 OH2 39.1669560364 32.3038321718 20.4272111930 SOLV 2449 0.0000000000
|
|
7565 2650 TIP3 H1 40.1398321949 32.1711272727 20.5172906081 SOLV 2449 0.0000000000
|
|
7566 2650 TIP3 H2 39.0100597456 31.7812444602 19.6148605222 SOLV 2449 0.0000000000
|
|
7567 2651 TIP3 OH2 38.1571158014 37.2098598780 25.5468371574 SOLV 2450 0.0000000000
|
|
7568 2651 TIP3 H1 37.9968677502 36.6681121831 24.7577231547 SOLV 2450 0.0000000000
|
|
7569 2651 TIP3 H2 38.3068090452 36.5071448986 26.2083130184 SOLV 2450 0.0000000000
|
|
7570 2652 TIP3 OH2 38.5751413757 35.1533632320 27.3892452939 SOLV 2451 0.0000000000
|
|
7571 2652 TIP3 H1 38.2623334980 34.4238475982 27.9461032788 SOLV 2451 0.0000000000
|
|
7572 2652 TIP3 H2 39.1278371277 35.6410939330 28.0282827087 SOLV 2451 0.0000000000
|
|
7573 2653 TIP3 OH2 38.6727023897 28.8926561821 29.7393088163 SOLV 2452 0.0000000000
|
|
7574 2653 TIP3 H1 38.6795128179 28.5216289907 28.8275247601 SOLV 2452 0.0000000000
|
|
7575 2653 TIP3 H2 39.4800164163 28.4608827959 30.1022688156 SOLV 2452 0.0000000000
|
|
7576 2654 TIP3 OH2 38.1671775847 23.9403693319 36.1133335360 SOLV 2453 0.0000000000
|
|
7577 2654 TIP3 H1 39.0419700092 23.6308246585 36.4216945289 SOLV 2453 0.0000000000
|
|
7578 2654 TIP3 H2 37.6835257141 23.1044274046 35.9483330375 SOLV 2453 0.0000000000
|
|
7579 2655 TIP3 OH2 39.4641831549 22.0895619929 29.1994771743 SOLV 2454 0.0000000000
|
|
7580 2655 TIP3 H1 39.8762981547 21.2032222023 29.1300417405 SOLV 2454 0.0000000000
|
|
7581 2655 TIP3 H2 40.2028227680 22.6607362118 28.9409483354 SOLV 2454 0.0000000000
|
|
7582 2656 TIP3 OH2 37.8638331546 25.3172480469 29.7144190466 SOLV 2455 0.0000000000
|
|
7583 2656 TIP3 H1 38.0316607979 24.7412547986 28.9562002608 SOLV 2455 0.0000000000
|
|
7584 2656 TIP3 H2 38.7224005360 25.7546107312 29.8325274539 SOLV 2455 0.0000000000
|
|
7585 2657 TIP3 OH2 38.5061922268 21.6722263917 23.7492290083 SOLV 2456 0.0000000000
|
|
7586 2657 TIP3 H1 37.6621135775 21.2142025566 23.7646331545 SOLV 2456 0.0000000000
|
|
7587 2657 TIP3 H2 38.4238876604 22.2693195540 22.9753960226 SOLV 2456 0.0000000000
|
|
7588 2658 TIP3 OH2 38.4262087159 20.2234325555 32.3533455478 SOLV 2457 0.0000000000
|
|
7589 2658 TIP3 H1 37.6740106478 19.7938295782 32.7907959048 SOLV 2457 0.0000000000
|
|
7590 2658 TIP3 H2 37.9961587236 20.8414338453 31.7315338403 SOLV 2457 0.0000000000
|
|
7591 2659 TIP3 OH2 40.4888301266 33.4041670022 36.2994824284 SOLV 2458 0.0000000000
|
|
7592 2659 TIP3 H1 39.6494790425 33.7160497957 35.9128302668 SOLV 2458 0.0000000000
|
|
7593 2659 TIP3 H2 40.2655580066 33.5322562686 37.2402908427 SOLV 2458 0.0000000000
|
|
7594 2660 TIP3 OH2 47.3318212107 35.9791832063 35.7062902857 SOLV 2459 0.0000000000
|
|
7595 2660 TIP3 H1 47.5623979191 35.4106334629 36.4696219341 SOLV 2459 0.0000000000
|
|
7596 2660 TIP3 H2 48.2121710047 36.1527363051 35.3013869378 SOLV 2459 0.0000000000
|
|
7597 2661 TIP3 OH2 -0.1966651899 36.8912281557 34.6147921713 SOLV 2460 0.0000000000
|
|
7598 2661 TIP3 H1 0.4187164390 36.7175864334 33.8820053728 SOLV 2460 0.0000000000
|
|
7599 2661 TIP3 H2 0.4190364603 36.8803274380 35.3717418206 SOLV 2460 0.0000000000
|
|
7600 2662 TIP3 OH2 40.0188271324 36.9268279184 32.9389059649 SOLV 2461 0.0000000000
|
|
7601 2662 TIP3 H1 39.2747670139 37.5518476238 32.9470226925 SOLV 2461 0.0000000000
|
|
7602 2662 TIP3 H2 40.7695034650 37.5339810231 32.8312887959 SOLV 2461 0.0000000000
|
|
7603 2663 TIP3 OH2 48.3462771179 37.6759837661 30.0273861166 SOLV 2462 0.0000000000
|
|
7604 2663 TIP3 H1 47.4140133664 37.8819126218 29.8162963240 SOLV 2462 0.0000000000
|
|
7605 2663 TIP3 H2 48.3297986535 37.7446005145 31.0014183780 SOLV 2462 0.0000000000
|
|
7606 2664 TIP3 OH2 40.1616605023 36.2431881196 29.3638085842 SOLV 2463 0.0000000000
|
|
7607 2664 TIP3 H1 40.2018176185 35.9667280099 30.2996767143 SOLV 2463 0.0000000000
|
|
7608 2664 TIP3 H2 41.0810189129 36.0477916765 29.0949517554 SOLV 2463 0.0000000000
|
|
7609 2665 TIP3 OH2 42.4800156040 34.7029109402 28.2911381373 SOLV 2464 0.0000000000
|
|
7610 2665 TIP3 H1 42.3535581057 33.8335727152 28.7086013914 SOLV 2464 0.0000000000
|
|
7611 2665 TIP3 H2 42.8426865797 35.2428737109 29.0254242105 SOLV 2464 0.0000000000
|
|
7612 2666 TIP3 OH2 47.4161381060 20.6396318307 27.8216173766 SOLV 2465 0.0000000000
|
|
7613 2666 TIP3 H1 46.8890514247 20.0050397938 28.3553596716 SOLV 2465 0.0000000000
|
|
7614 2666 TIP3 H2 48.3072629747 20.2918173320 27.9821398434 SOLV 2465 0.0000000000
|
|
7615 2667 TIP3 OH2 40.5965558451 19.5543875822 26.0567698171 SOLV 2466 0.0000000000
|
|
7616 2667 TIP3 H1 39.6941429052 19.3494849524 25.7215746626 SOLV 2466 0.0000000000
|
|
7617 2667 TIP3 H2 41.0382849097 18.6801036618 25.9099530416 SOLV 2466 0.0000000000
|
|
7618 2668 TIP3 OH2 39.2716106595 19.6955233846 21.4952845079 SOLV 2467 0.0000000000
|
|
7619 2668 TIP3 H1 39.9922915690 20.1182645840 20.9969119338 SOLV 2467 0.0000000000
|
|
7620 2668 TIP3 H2 39.1524007541 20.3298249623 22.2284817874 SOLV 2467 0.0000000000
|
|
7621 2669 TIP3 OH2 44.9846006887 19.0383391143 25.9659807260 SOLV 2468 0.0000000000
|
|
7622 2669 TIP3 H1 45.5708175010 19.5128608498 25.3507687697 SOLV 2468 0.0000000000
|
|
7623 2669 TIP3 H2 45.5189458212 19.1281399239 26.7634419029 SOLV 2468 0.0000000000
|
|
7624 2670 TIP3 OH2 39.2616744655 35.9782956019 22.9649548592 SOLV 2469 0.0000000000
|
|
7625 2670 TIP3 H1 38.6459157071 35.7790189351 22.2373224845 SOLV 2469 0.0000000000
|
|
7626 2670 TIP3 H2 39.6743705566 36.7707014078 22.5793833222 SOLV 2469 0.0000000000
|
|
7627 2671 TIP3 OH2 41.3723520028 21.4414832902 20.4091129968 SOLV 2470 0.0000000000
|
|
7628 2671 TIP3 H1 41.6165969631 20.7545142310 19.7594960567 SOLV 2470 0.0000000000
|
|
7629 2671 TIP3 H2 42.2496626982 21.6081348068 20.8153974174 SOLV 2470 0.0000000000
|
|
7630 2672 TIP3 OH2 46.2104603975 21.9474926961 22.5172023261 SOLV 2471 0.0000000000
|
|
7631 2672 TIP3 H1 46.3242469882 21.3352898969 23.2631773863 SOLV 2471 0.0000000000
|
|
7632 2672 TIP3 H2 46.3494708848 22.7936688562 23.0110249137 SOLV 2471 0.0000000000
|
|
7633 2673 TIP3 OH2 48.4730279236 36.5183340290 21.1538155813 SOLV 2472 0.0000000000
|
|
7634 2673 TIP3 H1 49.1617256721 37.0456130094 20.7089597357 SOLV 2472 0.0000000000
|
|
7635 2673 TIP3 H2 48.2515484289 35.9089629620 20.4026873539 SOLV 2472 0.0000000000
|
|
7636 2674 TIP3 OH2 40.6295489952 20.3606310383 35.4628163258 SOLV 2473 0.0000000000
|
|
7637 2674 TIP3 H1 40.1149666081 19.5454060777 35.6162751846 SOLV 2473 0.0000000000
|
|
7638 2674 TIP3 H2 41.4698364218 20.1227984227 35.9242067734 SOLV 2473 0.0000000000
|
|
7639 2675 TIP3 OH2 42.5039178556 19.5703108749 37.2925941617 SOLV 2474 0.0000000000
|
|
7640 2675 TIP3 H1 43.4224701751 19.3609814518 37.0564476727 SOLV 2474 0.0000000000
|
|
7641 2675 TIP3 H2 42.1865848445 18.6900718117 37.5447524263 SOLV 2474 0.0000000000
|
|
7642 2676 TIP3 OH2 41.0130057519 36.0366935033 19.3083234756 SOLV 2475 0.0000000000
|
|
7643 2676 TIP3 H1 41.2046909660 36.0916813478 20.2522191188 SOLV 2475 0.0000000000
|
|
7644 2676 TIP3 H2 41.7671952895 35.4752118246 18.9980186194 SOLV 2475 0.0000000000
|
|
7645 2677 TIP3 OH2 11.9465079075 47.5741137331 25.7987981943 SOLV 2476 0.0000000000
|
|
7646 2677 TIP3 H1 11.6315035314 48.4038657539 26.1576318552 SOLV 2476 0.0000000000
|
|
7647 2677 TIP3 H2 11.4071623257 47.4586903740 24.9863684496 SOLV 2476 0.0000000000
|
|
7648 2678 TIP3 OH2 11.0405371238 46.8300085335 29.6562109052 SOLV 2477 0.0000000000
|
|
7649 2678 TIP3 H1 11.2783780867 46.2722012558 30.4314031830 SOLV 2477 0.0000000000
|
|
7650 2678 TIP3 H2 10.4600560941 46.2194985074 29.1487492103 SOLV 2477 0.0000000000
|
|
7651 2679 TIP3 OH2 3.1264755782 46.4234251234 30.4335305665 SOLV 2478 0.0000000000
|
|
7652 2679 TIP3 H1 3.3391368801 45.6193102141 30.9372652904 SOLV 2478 0.0000000000
|
|
7653 2679 TIP3 H2 3.2177530567 47.0830014194 31.1205598292 SOLV 2478 0.0000000000
|
|
7654 2680 TIP3 OH2 14.3619355239 49.1392736870 27.7239672075 SOLV 2479 0.0000000000
|
|
7655 2680 TIP3 H1 14.2641221848 48.4705489021 28.4217190054 SOLV 2479 0.0000000000
|
|
7656 2680 TIP3 H2 15.0516445098 49.7508095635 28.0572432134 SOLV 2479 0.0000000000
|
|
7657 2681 TIP3 OH2 0.8730360922 44.2644222878 25.0644403251 SOLV 2480 0.0000000000
|
|
7658 2681 TIP3 H1 1.3139941272 45.0561525369 25.3884255150 SOLV 2480 0.0000000000
|
|
7659 2681 TIP3 H2 0.6823574514 43.7631453359 25.8893920220 SOLV 2480 0.0000000000
|
|
7660 2682 TIP3 OH2 2.3204047579 46.3839708556 26.5257902034 SOLV 2481 0.0000000000
|
|
7661 2682 TIP3 H1 2.2245767670 45.8139949927 27.3045406845 SOLV 2481 0.0000000000
|
|
7662 2682 TIP3 H2 2.5945276147 47.2273328925 26.9034056479 SOLV 2481 0.0000000000
|
|
7663 2683 TIP3 OH2 9.4952688693 49.0203397491 30.0539828293 SOLV 2482 0.0000000000
|
|
7664 2683 TIP3 H1 9.9275360228 48.2631066603 29.5937538275 SOLV 2482 0.0000000000
|
|
7665 2683 TIP3 H2 10.2668162914 49.3263858481 30.5806002924 SOLV 2482 0.0000000000
|
|
7666 2684 TIP3 OH2 18.0009512795 41.0062012638 30.5862911944 SOLV 2483 0.0000000000
|
|
7667 2684 TIP3 H1 18.4167138545 41.6243101208 31.2302330742 SOLV 2483 0.0000000000
|
|
7668 2684 TIP3 H2 18.5995080576 41.0870844190 29.8307569286 SOLV 2483 0.0000000000
|
|
7669 2685 TIP3 OH2 12.5634700173 43.7220115201 29.8040592538 SOLV 2484 0.0000000000
|
|
7670 2685 TIP3 H1 12.7115184859 42.7680150604 29.9290341569 SOLV 2484 0.0000000000
|
|
7671 2685 TIP3 H2 12.5153007341 43.7558199169 28.8268576626 SOLV 2484 0.0000000000
|
|
7672 2686 TIP3 OH2 6.0613197077 41.7229255024 27.0815155513 SOLV 2485 0.0000000000
|
|
7673 2686 TIP3 H1 6.1206002084 42.5425967872 26.5460874971 SOLV 2485 0.0000000000
|
|
7674 2686 TIP3 H2 5.5519676699 41.1324478521 26.4873471649 SOLV 2485 0.0000000000
|
|
7675 2687 TIP3 OH2 13.7761256778 41.8747353982 25.4998896243 SOLV 2486 0.0000000000
|
|
7676 2687 TIP3 H1 14.1866073991 41.6957571143 26.3799453599 SOLV 2486 0.0000000000
|
|
7677 2687 TIP3 H2 14.4553031373 42.4560489746 25.0855994088 SOLV 2486 0.0000000000
|
|
7678 2688 TIP3 OH2 2.2707840485 43.7186349310 28.0944544298 SOLV 2487 0.0000000000
|
|
7679 2688 TIP3 H1 3.0636949787 43.6879821882 28.6626143033 SOLV 2487 0.0000000000
|
|
7680 2688 TIP3 H2 2.6768289499 43.6981577758 27.1974600294 SOLV 2487 0.0000000000
|
|
7681 2689 TIP3 OH2 7.3638695031 45.7786978980 27.6106617129 SOLV 2488 0.0000000000
|
|
7682 2689 TIP3 H1 8.2295352165 45.3731460335 27.8379910139 SOLV 2488 0.0000000000
|
|
7683 2689 TIP3 H2 7.0443410948 45.1378016328 26.9432928352 SOLV 2488 0.0000000000
|
|
7684 2690 TIP3 OH2 18.6435808094 42.4984255852 32.8627505233 SOLV 2489 0.0000000000
|
|
7685 2690 TIP3 H1 17.9000108796 43.0985183429 32.6539894644 SOLV 2489 0.0000000000
|
|
7686 2690 TIP3 H2 18.7863527049 42.7359668248 33.7996199023 SOLV 2489 0.0000000000
|
|
7687 2691 TIP3 OH2 4.7242222878 40.8194989016 31.4145644097 SOLV 2490 0.0000000000
|
|
7688 2691 TIP3 H1 4.3933882528 41.2842752092 30.6116630375 SOLV 2490 0.0000000000
|
|
7689 2691 TIP3 H2 4.0604682165 41.1288106142 32.0656660385 SOLV 2490 0.0000000000
|
|
7690 2692 TIP3 OH2 7.1337447060 48.8338579106 31.3153051642 SOLV 2491 0.0000000000
|
|
7691 2692 TIP3 H1 6.5895337824 49.4882033541 30.8223829493 SOLV 2491 0.0000000000
|
|
7692 2692 TIP3 H2 7.9496097672 48.8550614718 30.7717430256 SOLV 2491 0.0000000000
|
|
7693 2693 TIP3 OH2 14.8642282129 41.6922088312 28.0243242847 SOLV 2492 0.0000000000
|
|
7694 2693 TIP3 H1 14.1071782513 41.2989847084 28.5036899707 SOLV 2492 0.0000000000
|
|
7695 2693 TIP3 H2 15.3282595645 42.1778712263 28.7463056511 SOLV 2492 0.0000000000
|
|
7696 2694 TIP3 OH2 4.4732726986 42.5589188256 29.2948759118 SOLV 2493 0.0000000000
|
|
7697 2694 TIP3 H1 5.0793641005 43.1573081257 29.7876479055 SOLV 2493 0.0000000000
|
|
7698 2694 TIP3 H2 5.0287279846 42.2689625425 28.5340339225 SOLV 2493 0.0000000000
|
|
7699 2695 TIP3 OH2 15.5113937347 40.0471749736 31.3391968416 SOLV 2494 0.0000000000
|
|
7700 2695 TIP3 H1 14.9148314168 40.5121463894 30.7381109419 SOLV 2494 0.0000000000
|
|
7701 2695 TIP3 H2 16.3932883716 40.3089179036 30.9852337285 SOLV 2494 0.0000000000
|
|
7702 2696 TIP3 OH2 8.1796187013 37.8316893074 28.8592244029 SOLV 2495 0.0000000000
|
|
7703 2696 TIP3 H1 7.8088516687 36.9309023450 28.8184107628 SOLV 2495 0.0000000000
|
|
7704 2696 TIP3 H2 7.3863942853 38.3249901251 29.1724790370 SOLV 2495 0.0000000000
|
|
7705 2697 TIP3 OH2 10.8592499116 46.8313402129 23.4852773441 SOLV 2496 0.0000000000
|
|
7706 2697 TIP3 H1 10.1531190506 47.4724736853 23.2024337401 SOLV 2496 0.0000000000
|
|
7707 2697 TIP3 H2 11.5558807358 46.9489973822 22.8178266984 SOLV 2496 0.0000000000
|
|
7708 2698 TIP3 OH2 10.8935895987 45.7183060955 19.9650288671 SOLV 2497 0.0000000000
|
|
7709 2698 TIP3 H1 11.5258963944 46.0234025708 20.6473920675 SOLV 2497 0.0000000000
|
|
7710 2698 TIP3 H2 11.4798562694 45.1035303039 19.4686591548 SOLV 2497 0.0000000000
|
|
7711 2699 TIP3 OH2 17.8719202743 46.4864571832 31.6264244807 SOLV 2498 0.0000000000
|
|
7712 2699 TIP3 H1 17.1364751404 47.1383417247 31.6753915276 SOLV 2498 0.0000000000
|
|
7713 2699 TIP3 H2 18.3976116251 46.8105761942 30.8753078062 SOLV 2498 0.0000000000
|
|
7714 2700 TIP3 OH2 14.2058248153 46.5749795815 24.6075671817 SOLV 2499 0.0000000000
|
|
7715 2700 TIP3 H1 13.4450420096 46.9084644754 25.1443137918 SOLV 2499 0.0000000000
|
|
7716 2700 TIP3 H2 14.8728244816 46.3944214834 25.3040564636 SOLV 2499 0.0000000000
|
|
7717 2701 TIP3 OH2 13.9475290432 45.2743291509 33.8147543639 SOLV 2500 0.0000000000
|
|
7718 2701 TIP3 H1 13.7428558202 45.9876844281 34.4619123395 SOLV 2500 0.0000000000
|
|
7719 2701 TIP3 H2 13.3046133653 45.4900586917 33.1031884356 SOLV 2500 0.0000000000
|
|
7720 2702 TIP3 OH2 5.6584328316 47.6248705676 26.3637267089 SOLV 2501 0.0000000000
|
|
7721 2702 TIP3 H1 5.4393736426 47.1539173693 25.5324673202 SOLV 2501 0.0000000000
|
|
7722 2702 TIP3 H2 6.3183172607 47.0165272678 26.7658504502 SOLV 2501 0.0000000000
|
|
7723 2703 TIP3 OH2 6.2460116226 46.3953398624 29.9540184041 SOLV 2502 0.0000000000
|
|
7724 2703 TIP3 H1 6.6066225958 46.2288776041 29.0507177557 SOLV 2502 0.0000000000
|
|
7725 2703 TIP3 H2 6.8727273455 47.0451016272 30.3200992297 SOLV 2502 0.0000000000
|
|
7726 2704 TIP3 OH2 13.0566572601 46.4810386291 21.9006520589 SOLV 2503 0.0000000000
|
|
7727 2704 TIP3 H1 13.6662398842 46.8062372190 22.5985279844 SOLV 2503 0.0000000000
|
|
7728 2704 TIP3 H2 13.5032120752 46.8431234933 21.1054618593 SOLV 2503 0.0000000000
|
|
7729 2705 TIP3 OH2 4.1646780027 46.8164173568 33.7020739337 SOLV 2504 0.0000000000
|
|
7730 2705 TIP3 H1 4.2957453236 47.4962760511 34.4025563345 SOLV 2504 0.0000000000
|
|
7731 2705 TIP3 H2 3.1832487407 46.7920087150 33.7039972091 SOLV 2504 0.0000000000
|
|
7732 2706 TIP3 OH2 16.7680427681 38.0344061633 22.1328374030 SOLV 2505 0.0000000000
|
|
7733 2706 TIP3 H1 15.8257963258 38.1939688380 22.3567418524 SOLV 2505 0.0000000000
|
|
7734 2706 TIP3 H2 17.0133622203 38.8810118003 21.6910186461 SOLV 2505 0.0000000000
|
|
7735 2707 TIP3 OH2 4.8652017724 46.6724516932 23.8715540392 SOLV 2506 0.0000000000
|
|
7736 2707 TIP3 H1 4.4799396034 47.3884648799 23.3326221675 SOLV 2506 0.0000000000
|
|
7737 2707 TIP3 H2 4.4108810254 45.9021054558 23.5157750024 SOLV 2506 0.0000000000
|
|
7738 2708 TIP3 OH2 15.7723894393 43.7692241835 35.6937116717 SOLV 2507 0.0000000000
|
|
7739 2708 TIP3 H1 15.2376455733 44.2135156059 35.0092116923 SOLV 2507 0.0000000000
|
|
7740 2708 TIP3 H2 15.8742812370 42.8666527673 35.3076198626 SOLV 2507 0.0000000000
|
|
7741 2709 TIP3 OH2 5.9022253375 39.1433876630 29.7084508844 SOLV 2508 0.0000000000
|
|
7742 2709 TIP3 H1 5.0798911441 39.0791866513 29.1755147965 SOLV 2508 0.0000000000
|
|
7743 2709 TIP3 H2 5.5906761848 39.7327563866 30.4261581903 SOLV 2508 0.0000000000
|
|
7744 2710 TIP3 OH2 10.5413836963 38.5340125236 33.0609346759 SOLV 2509 0.0000000000
|
|
7745 2710 TIP3 H1 11.0314493145 38.0519752215 33.7575691752 SOLV 2509 0.0000000000
|
|
7746 2710 TIP3 H2 9.6089787599 38.5042904867 33.3588122924 SOLV 2509 0.0000000000
|
|
7747 2711 TIP3 OH2 13.3901825462 42.7068897161 33.8883158400 SOLV 2510 0.0000000000
|
|
7748 2711 TIP3 H1 12.7780697916 42.4902849316 34.6350976626 SOLV 2510 0.0000000000
|
|
7749 2711 TIP3 H2 13.4559642473 43.6814998973 33.9164335583 SOLV 2510 0.0000000000
|
|
7750 2712 TIP3 OH2 14.1710759954 47.6238935594 19.8144709663 SOLV 2511 0.0000000000
|
|
7751 2712 TIP3 H1 14.2620904650 47.3750945704 18.8741542456 SOLV 2511 0.0000000000
|
|
7752 2712 TIP3 H2 15.1281395376 47.7624323796 20.0069568319 SOLV 2511 0.0000000000
|
|
7753 2713 TIP3 OH2 10.0297795131 40.9879299504 20.4349386169 SOLV 2512 0.0000000000
|
|
7754 2713 TIP3 H1 9.4880764902 40.8784542078 21.2352560079 SOLV 2512 0.0000000000
|
|
7755 2713 TIP3 H2 9.5722071348 40.3392807199 19.8653439329 SOLV 2512 0.0000000000
|
|
7756 2714 TIP3 OH2 5.9530577219 43.9799139616 31.0607368145 SOLV 2513 0.0000000000
|
|
7757 2714 TIP3 H1 5.1256937564 43.9825236987 31.5881541333 SOLV 2513 0.0000000000
|
|
7758 2714 TIP3 H2 5.9489300761 44.9011035234 30.7065056210 SOLV 2513 0.0000000000
|
|
7759 2715 TIP3 OH2 6.1396630105 44.2232750435 25.7286964278 SOLV 2514 0.0000000000
|
|
7760 2715 TIP3 H1 5.1564704407 44.2000735882 25.6460754347 SOLV 2514 0.0000000000
|
|
7761 2715 TIP3 H2 6.3674658148 44.1317480942 24.7896864656 SOLV 2514 0.0000000000
|
|
7762 2716 TIP3 OH2 11.3962636086 44.2632021816 24.4497258119 SOLV 2515 0.0000000000
|
|
7763 2716 TIP3 H1 11.1977547444 45.1870430345 24.1800479326 SOLV 2515 0.0000000000
|
|
7764 2716 TIP3 H2 12.1215907665 44.0467125092 23.8341572535 SOLV 2515 0.0000000000
|
|
7765 2717 TIP3 OH2 10.7997479389 44.4613291965 35.6535875162 SOLV 2516 0.0000000000
|
|
7766 2717 TIP3 H1 10.1741335621 43.8098252696 36.0320693680 SOLV 2516 0.0000000000
|
|
7767 2717 TIP3 H2 11.5644128176 44.3610751130 36.2542212301 SOLV 2516 0.0000000000
|
|
7768 2718 TIP3 OH2 12.3620603050 43.6205561685 27.1290438101 SOLV 2517 0.0000000000
|
|
7769 2718 TIP3 H1 11.8995738252 44.2611437646 26.5559783808 SOLV 2517 0.0000000000
|
|
7770 2718 TIP3 H2 12.6832549623 43.0058634087 26.4415301367 SOLV 2517 0.0000000000
|
|
7771 2719 TIP3 OH2 3.5059973494 44.1166498327 32.2844580512 SOLV 2518 0.0000000000
|
|
7772 2719 TIP3 H1 3.5262296524 44.8000740860 32.9822356333 SOLV 2518 0.0000000000
|
|
7773 2719 TIP3 H2 3.0244925380 43.3766133191 32.7226355226 SOLV 2518 0.0000000000
|
|
7774 2720 TIP3 OH2 6.7727591082 41.4145509548 19.2976980458 SOLV 2519 0.0000000000
|
|
7775 2720 TIP3 H1 6.3619390553 41.2165448527 20.1730438714 SOLV 2519 0.0000000000
|
|
7776 2720 TIP3 H2 6.2894039214 42.2184469879 19.0513162653 SOLV 2519 0.0000000000
|
|
7777 2721 TIP3 OH2 0.7980195111 41.5995280031 26.2259850798 SOLV 2520 0.0000000000
|
|
7778 2721 TIP3 H1 0.8812673037 41.6603899693 27.1932574905 SOLV 2520 0.0000000000
|
|
7779 2721 TIP3 H2 1.3462212542 40.8365983081 26.0461231463 SOLV 2520 0.0000000000
|
|
7780 2722 TIP3 OH2 1.8429375365 42.2759476393 22.2793938426 SOLV 2521 0.0000000000
|
|
7781 2722 TIP3 H1 1.9571866601 41.6130412813 21.5945166125 SOLV 2521 0.0000000000
|
|
7782 2722 TIP3 H2 1.8717775192 43.1111831059 21.7510092502 SOLV 2521 0.0000000000
|
|
7783 2723 TIP3 OH2 11.9629968411 45.3994629674 31.7556222244 SOLV 2522 0.0000000000
|
|
7784 2723 TIP3 H1 12.3043593988 44.6666516874 31.1733237260 SOLV 2522 0.0000000000
|
|
7785 2723 TIP3 H2 11.2286339011 44.9625392650 32.2272598215 SOLV 2522 0.0000000000
|
|
7786 2724 TIP3 OH2 9.0003521772 41.3265234013 26.6491131549 SOLV 2523 0.0000000000
|
|
7787 2724 TIP3 H1 8.1024015718 41.4195766287 27.0241236438 SOLV 2523 0.0000000000
|
|
7788 2724 TIP3 H2 9.4658808414 40.9416632470 27.4288446236 SOLV 2523 0.0000000000
|
|
7789 2725 TIP3 OH2 3.5730912221 43.2561972909 25.6038694331 SOLV 2524 0.0000000000
|
|
7790 2725 TIP3 H1 2.7793792411 43.3219102332 25.0335436285 SOLV 2524 0.0000000000
|
|
7791 2725 TIP3 H2 3.8134282986 42.3110513107 25.4408360236 SOLV 2524 0.0000000000
|
|
7792 2726 TIP3 OH2 6.4656594198 43.2411505268 23.1620011031 SOLV 2525 0.0000000000
|
|
7793 2726 TIP3 H1 7.4365835854 43.2203119138 23.2422916316 SOLV 2525 0.0000000000
|
|
7794 2726 TIP3 H2 6.3415751410 43.8176535014 22.3594208957 SOLV 2525 0.0000000000
|
|
7795 2727 TIP3 OH2 12.7307105628 41.0587323331 29.7950300976 SOLV 2526 0.0000000000
|
|
7796 2727 TIP3 H1 12.3768021645 40.9702993267 30.7103931684 SOLV 2526 0.0000000000
|
|
7797 2727 TIP3 H2 11.9809364774 40.6823748477 29.2952130549 SOLV 2526 0.0000000000
|
|
7798 2728 TIP3 OH2 6.0363373983 44.3856502078 20.7972672350 SOLV 2527 0.0000000000
|
|
7799 2728 TIP3 H1 5.5475703563 44.0248362865 20.0382871921 SOLV 2527 0.0000000000
|
|
7800 2728 TIP3 H2 6.7981102452 44.7938936179 20.3355477739 SOLV 2527 0.0000000000
|
|
7801 2729 TIP3 OH2 4.2021290090 48.8345161579 35.6681693224 SOLV 2528 0.0000000000
|
|
7802 2729 TIP3 H1 4.5385852149 49.4872507329 36.2975141747 SOLV 2528 0.0000000000
|
|
7803 2729 TIP3 H2 3.2285795877 48.9388644827 35.7423922767 SOLV 2528 0.0000000000
|
|
7804 2730 TIP3 OH2 9.5780911940 44.5154722216 28.6237773097 SOLV 2529 0.0000000000
|
|
7805 2730 TIP3 H1 10.2212895259 43.8219746895 28.4149658192 SOLV 2529 0.0000000000
|
|
7806 2730 TIP3 H2 9.0768575345 44.0974609645 29.3558982389 SOLV 2529 0.0000000000
|
|
7807 2731 TIP3 OH2 4.1884848463 40.6400449814 25.3850348444 SOLV 2530 0.0000000000
|
|
7808 2731 TIP3 H1 3.8008690751 39.7570434104 25.6025655989 SOLV 2530 0.0000000000
|
|
7809 2731 TIP3 H2 4.5883175514 40.4294307060 24.5310178567 SOLV 2530 0.0000000000
|
|
7810 2732 TIP3 OH2 8.4804363436 43.1687489232 30.9196363376 SOLV 2531 0.0000000000
|
|
7811 2732 TIP3 H1 7.6243179959 43.6162855787 31.0864134795 SOLV 2531 0.0000000000
|
|
7812 2732 TIP3 H2 9.0531358198 43.5451058370 31.6207947140 SOLV 2531 0.0000000000
|
|
7813 2733 TIP3 OH2 9.0165925034 48.5802916288 22.7228047925 SOLV 2532 0.0000000000
|
|
7814 2733 TIP3 H1 8.2504871421 48.1756575215 22.2687644303 SOLV 2532 0.0000000000
|
|
7815 2733 TIP3 H2 8.5726766815 48.8086631431 23.5795303919 SOLV 2532 0.0000000000
|
|
7816 2734 TIP3 OH2 15.8600980563 48.4104846147 31.5844525604 SOLV 2533 0.0000000000
|
|
7817 2734 TIP3 H1 16.4431896804 48.8326911386 30.9222217080 SOLV 2533 0.0000000000
|
|
7818 2734 TIP3 H2 15.0896702372 48.1476999663 31.0329815026 SOLV 2533 0.0000000000
|
|
7819 2735 TIP3 OH2 12.4656387493 41.6282134212 21.3606071021 SOLV 2534 0.0000000000
|
|
7820 2735 TIP3 H1 11.5507847720 41.5931437917 21.0023340013 SOLV 2534 0.0000000000
|
|
7821 2735 TIP3 H2 12.6345926657 42.5815672363 21.4873428449 SOLV 2534 0.0000000000
|
|
7822 2736 TIP3 OH2 10.7426844463 48.3711778839 34.0262450097 SOLV 2535 0.0000000000
|
|
7823 2736 TIP3 H1 10.7548222321 48.0333714008 34.9437615427 SOLV 2535 0.0000000000
|
|
7824 2736 TIP3 H2 11.0545678450 49.2715543542 34.1966337374 SOLV 2535 0.0000000000
|
|
7825 2737 TIP3 OH2 13.4066077467 43.9356509679 22.4384773593 SOLV 2536 0.0000000000
|
|
7826 2737 TIP3 H1 14.2335899553 44.0010076105 22.9342680636 SOLV 2536 0.0000000000
|
|
7827 2737 TIP3 H2 13.2500520711 44.8593868189 22.1317264653 SOLV 2536 0.0000000000
|
|
7828 2738 TIP3 OH2 4.4046011007 48.6433102664 28.7234076434 SOLV 2537 0.0000000000
|
|
7829 2738 TIP3 H1 4.9449237038 48.3952490113 27.9486223107 SOLV 2537 0.0000000000
|
|
7830 2738 TIP3 H2 4.3561153573 47.7968889180 29.2081474949 SOLV 2537 0.0000000000
|
|
7831 2739 TIP3 OH2 1.5533515104 46.3330748712 33.7181174748 SOLV 2538 0.0000000000
|
|
7832 2739 TIP3 H1 1.2080073268 46.2943977634 34.6361799556 SOLV 2538 0.0000000000
|
|
7833 2739 TIP3 H2 0.9777044200 46.9846549137 33.2994611278 SOLV 2538 0.0000000000
|
|
7834 2740 TIP3 OH2 8.2332079268 46.1047071330 35.7351827943 SOLV 2539 0.0000000000
|
|
7835 2740 TIP3 H1 7.6315107574 45.6523400121 35.1152679247 SOLV 2539 0.0000000000
|
|
7836 2740 TIP3 H2 9.0346576120 45.5621093432 35.6590844447 SOLV 2539 0.0000000000
|
|
7837 2741 TIP3 OH2 18.0045262116 44.2892119959 22.2149726543 SOLV 2540 0.0000000000
|
|
7838 2741 TIP3 H1 17.3692177707 44.1592925750 21.4722444766 SOLV 2540 0.0000000000
|
|
7839 2741 TIP3 H2 18.2623717353 45.2097864781 21.9936473268 SOLV 2540 0.0000000000
|
|
7840 2742 TIP3 OH2 18.4577841099 49.4410462312 34.8707206870 SOLV 2541 0.0000000000
|
|
7841 2742 TIP3 H1 17.7386581982 50.0646966969 34.6488649480 SOLV 2541 0.0000000000
|
|
7842 2742 TIP3 H2 18.8732957768 49.3794059299 33.9872624519 SOLV 2541 0.0000000000
|
|
7843 2743 TIP3 OH2 13.8785542239 47.4117761288 29.8640633247 SOLV 2542 0.0000000000
|
|
7844 2743 TIP3 H1 12.9277526791 47.2669470865 29.7052324124 SOLV 2542 0.0000000000
|
|
7845 2743 TIP3 H2 14.2324050292 46.6227698990 29.4119193091 SOLV 2542 0.0000000000
|
|
7846 2744 TIP3 OH2 2.1291305649 47.0078871544 20.2122436269 SOLV 2543 0.0000000000
|
|
7847 2744 TIP3 H1 2.8527997952 47.3017730530 20.8149450586 SOLV 2543 0.0000000000
|
|
7848 2744 TIP3 H2 1.7130672832 47.8535858127 19.9923688110 SOLV 2543 0.0000000000
|
|
7849 2745 TIP3 OH2 7.5777239149 48.8419036922 24.9756074374 SOLV 2544 0.0000000000
|
|
7850 2745 TIP3 H1 7.4842571931 49.8142486768 25.1013310061 SOLV 2544 0.0000000000
|
|
7851 2745 TIP3 H2 6.8572471059 48.5122376426 25.5484448970 SOLV 2544 0.0000000000
|
|
7852 2746 TIP3 OH2 11.7006293219 49.3712337026 31.5398509017 SOLV 2545 0.0000000000
|
|
7853 2746 TIP3 H1 11.5271068243 48.8540503424 32.3488192165 SOLV 2545 0.0000000000
|
|
7854 2746 TIP3 H2 12.3426552025 48.8051559155 31.0931066483 SOLV 2545 0.0000000000
|
|
7855 2747 TIP3 OH2 2.6570038338 41.4243056169 33.1995820349 SOLV 2546 0.0000000000
|
|
7856 2747 TIP3 H1 1.8625840563 41.0386776243 32.7970775872 SOLV 2546 0.0000000000
|
|
7857 2747 TIP3 H2 2.8122436566 40.8127413730 33.9292188623 SOLV 2546 0.0000000000
|
|
7858 2748 TIP3 OH2 14.8862084261 48.7693307074 22.9295723452 SOLV 2547 0.0000000000
|
|
7859 2748 TIP3 H1 14.7373455669 48.0582751812 23.5765226853 SOLV 2547 0.0000000000
|
|
7860 2748 TIP3 H2 15.8151833372 48.6272142498 22.6579698055 SOLV 2547 0.0000000000
|
|
7861 2749 TIP3 OH2 3.8824437985 48.4175327393 21.7619353641 SOLV 2548 0.0000000000
|
|
7862 2749 TIP3 H1 3.2473634306 49.1577888676 21.8299759203 SOLV 2548 0.0000000000
|
|
7863 2749 TIP3 H2 4.6286298371 48.8501288508 21.3083295525 SOLV 2548 0.0000000000
|
|
7864 2750 TIP3 OH2 11.5152409129 40.9967231879 32.4999529565 SOLV 2549 0.0000000000
|
|
7865 2750 TIP3 H1 12.2409458946 41.2183826647 33.1008002176 SOLV 2549 0.0000000000
|
|
7866 2750 TIP3 H2 11.1805871859 40.1445344971 32.8775728488 SOLV 2549 0.0000000000
|
|
7867 2751 TIP3 OH2 12.1052208361 40.7056474271 23.8292141206 SOLV 2550 0.0000000000
|
|
7868 2751 TIP3 H1 12.3522368275 40.9770469554 22.9112034472 SOLV 2550 0.0000000000
|
|
7869 2751 TIP3 H2 12.7392621686 41.2310839558 24.3747397471 SOLV 2550 0.0000000000
|
|
7870 2752 TIP3 OH2 9.0531365383 42.7150259248 24.2907871037 SOLV 2551 0.0000000000
|
|
7871 2752 TIP3 H1 9.7666569477 43.3948572589 24.3499460007 SOLV 2551 0.0000000000
|
|
7872 2752 TIP3 H2 9.0599887153 42.3090330013 25.1891413918 SOLV 2551 0.0000000000
|
|
7873 2753 TIP3 OH2 10.3139800608 43.7412542892 33.0769831788 SOLV 2552 0.0000000000
|
|
7874 2753 TIP3 H1 10.4772276544 43.9119049535 34.0284602477 SOLV 2552 0.0000000000
|
|
7875 2753 TIP3 H2 10.6789277031 42.8355722018 32.9724879283 SOLV 2552 0.0000000000
|
|
7876 2754 TIP3 OH2 9.9948807264 39.4397702210 24.9038009259 SOLV 2553 0.0000000000
|
|
7877 2754 TIP3 H1 9.6597034206 40.1593345818 25.4768067090 SOLV 2553 0.0000000000
|
|
7878 2754 TIP3 H2 10.7898975746 39.8885707380 24.5324083912 SOLV 2553 0.0000000000
|
|
7879 2755 TIP3 OH2 6.0168686727 40.8680830614 21.8207301219 SOLV 2554 0.0000000000
|
|
7880 2755 TIP3 H1 5.9241797452 41.6328270353 22.4276857038 SOLV 2554 0.0000000000
|
|
7881 2755 TIP3 H2 6.9034228452 40.5311389876 22.0808526358 SOLV 2554 0.0000000000
|
|
7882 2756 TIP3 OH2 15.7916402804 41.4691542936 34.1942364766 SOLV 2555 0.0000000000
|
|
7883 2756 TIP3 H1 14.8385721101 41.7129506955 34.0994187425 SOLV 2555 0.0000000000
|
|
7884 2756 TIP3 H2 16.0155800237 41.1704755189 33.2992525337 SOLV 2555 0.0000000000
|
|
7885 2757 TIP3 OH2 14.5324090583 45.1632545670 28.2053944588 SOLV 2556 0.0000000000
|
|
7886 2757 TIP3 H1 13.7876770657 44.6361701041 27.8840956076 SOLV 2556 0.0000000000
|
|
7887 2757 TIP3 H2 14.9885198203 44.5258937359 28.8025441328 SOLV 2556 0.0000000000
|
|
7888 2758 TIP3 OH2 1.6266603782 44.2584018085 20.3723555814 SOLV 2557 0.0000000000
|
|
7889 2758 TIP3 H1 1.8634113630 45.1989241167 20.2989342716 SOLV 2557 0.0000000000
|
|
7890 2758 TIP3 H2 1.3846119625 44.0215118646 19.4551423638 SOLV 2557 0.0000000000
|
|
7891 2759 TIP3 OH2 3.5194890418 38.7919044014 28.5909384609 SOLV 2558 0.0000000000
|
|
7892 2759 TIP3 H1 3.4218527979 38.5396493704 27.6452266736 SOLV 2558 0.0000000000
|
|
7893 2759 TIP3 H2 3.1451599278 37.9614794654 28.9625430564 SOLV 2558 0.0000000000
|
|
7894 2760 TIP3 OH2 1.5001768419 49.1168456727 36.1295747867 SOLV 2559 0.0000000000
|
|
7895 2760 TIP3 H1 1.4311853501 48.1609482089 36.3174868196 SOLV 2559 0.0000000000
|
|
7896 2760 TIP3 H2 0.6074382683 49.4006370008 36.3721954600 SOLV 2559 0.0000000000
|
|
7897 2761 TIP3 OH2 5.9674009702 49.1493933244 19.9659974699 SOLV 2560 0.0000000000
|
|
7898 2761 TIP3 H1 6.3225257089 48.5115479457 20.6378667296 SOLV 2560 0.0000000000
|
|
7899 2761 TIP3 H2 6.5489899284 48.9237498825 19.2148163941 SOLV 2560 0.0000000000
|
|
7900 2762 TIP3 OH2 7.5629277223 48.2196988961 37.2710276770 SOLV 2561 0.0000000000
|
|
7901 2762 TIP3 H1 7.8189412948 48.9325657038 36.6713444319 SOLV 2561 0.0000000000
|
|
7902 2762 TIP3 H2 7.7254489436 47.4481146918 36.6555524351 SOLV 2561 0.0000000000
|
|
7903 2763 TIP3 OH2 13.8301234477 49.2886980054 34.3647154227 SOLV 2562 0.0000000000
|
|
7904 2763 TIP3 H1 14.6111432768 49.8665653310 34.2462146831 SOLV 2562 0.0000000000
|
|
7905 2763 TIP3 H2 13.1590397334 49.7946237936 33.8866431373 SOLV 2562 0.0000000000
|
|
7906 2764 TIP3 OH2 1.9341322319 46.3107255168 36.5775723329 SOLV 2563 0.0000000000
|
|
7907 2764 TIP3 H1 2.4793233441 45.5134607757 36.5021857044 SOLV 2563 0.0000000000
|
|
7908 2764 TIP3 H2 2.1850320762 46.6131377073 37.4696517628 SOLV 2563 0.0000000000
|
|
7909 2765 TIP3 OH2 6.9345760951 47.2730155156 21.6409185819 SOLV 2564 0.0000000000
|
|
7910 2765 TIP3 H1 6.4205771420 46.7716664604 22.3046921809 SOLV 2564 0.0000000000
|
|
7911 2765 TIP3 H2 7.4270774735 46.5741393235 21.1519107535 SOLV 2564 0.0000000000
|
|
7912 2766 TIP3 OH2 6.4346969932 45.4419960136 33.7706672942 SOLV 2565 0.0000000000
|
|
7913 2766 TIP3 H1 5.5339027900 45.8337736636 33.7378251238 SOLV 2565 0.0000000000
|
|
7914 2766 TIP3 H2 6.8619552579 45.8374448946 32.9863958437 SOLV 2565 0.0000000000
|
|
7915 2767 TIP3 OH2 8.2486506406 45.6230974914 19.8668905525 SOLV 2566 0.0000000000
|
|
7916 2767 TIP3 H1 8.2417661245 45.7392795483 18.8945218637 SOLV 2566 0.0000000000
|
|
7917 2767 TIP3 H2 9.2130251986 45.5257597153 20.0246749727 SOLV 2566 0.0000000000
|
|
7918 2768 TIP3 OH2 11.2709647498 48.0537797183 36.7653705119 SOLV 2567 0.0000000000
|
|
7919 2768 TIP3 H1 11.8754587589 48.5616012599 37.3331442797 SOLV 2567 0.0000000000
|
|
7920 2768 TIP3 H2 10.7064220036 47.5525237224 37.3762535932 SOLV 2567 0.0000000000
|
|
7921 2769 TIP3 OH2 16.8357980957 48.1598777692 19.7785838532 SOLV 2568 0.0000000000
|
|
7922 2769 TIP3 H1 16.8792839070 48.1870563805 18.7937316186 SOLV 2568 0.0000000000
|
|
7923 2769 TIP3 H2 16.9899185717 49.0944823318 20.0422192637 SOLV 2568 0.0000000000
|
|
7924 2770 TIP3 OH2 6.7110826095 42.8753263914 34.6458550633 SOLV 2569 0.0000000000
|
|
7925 2770 TIP3 H1 6.8279192894 42.2495016576 33.9089537797 SOLV 2569 0.0000000000
|
|
7926 2770 TIP3 H2 6.6271828110 43.7636190615 34.1997380434 SOLV 2569 0.0000000000
|
|
7927 2771 TIP3 OH2 7.3023994711 41.0699075115 32.5250498723 SOLV 2570 0.0000000000
|
|
7928 2771 TIP3 H1 7.8518857878 41.5602370570 31.8833211342 SOLV 2570 0.0000000000
|
|
7929 2771 TIP3 H2 6.4186131626 41.1104601032 32.1004172592 SOLV 2570 0.0000000000
|
|
7930 2772 TIP3 OH2 8.3513323245 46.5961081937 32.1939870460 SOLV 2571 0.0000000000
|
|
7931 2772 TIP3 H1 9.1373719252 46.8507459004 32.7014394692 SOLV 2571 0.0000000000
|
|
7932 2772 TIP3 H2 7.8425327857 47.4330451141 32.2050898224 SOLV 2571 0.0000000000
|
|
7933 2773 TIP3 OH2 13.0250837886 44.0153997008 37.4454308944 SOLV 2572 0.0000000000
|
|
7934 2773 TIP3 H1 13.6489971843 43.2618892270 37.3966834348 SOLV 2572 0.0000000000
|
|
7935 2773 TIP3 H2 13.5173507539 44.6817905647 36.9498937845 SOLV 2572 0.0000000000
|
|
7936 2774 TIP3 OH2 14.3646932748 47.0648987778 35.9193364313 SOLV 2573 0.0000000000
|
|
7937 2774 TIP3 H1 14.1142552083 47.8881229218 35.4482731718 SOLV 2573 0.0000000000
|
|
7938 2774 TIP3 H2 15.3398341348 47.0658658930 35.8384062775 SOLV 2573 0.0000000000
|
|
7939 2775 TIP3 OH2 5.3506954292 43.2521680045 36.9840625899 SOLV 2574 0.0000000000
|
|
7940 2775 TIP3 H1 4.5112997730 42.7706061582 36.8288099597 SOLV 2574 0.0000000000
|
|
7941 2775 TIP3 H2 5.7360237213 43.2869619960 36.0757101546 SOLV 2574 0.0000000000
|
|
7942 2776 TIP3 OH2 7.7529072846 38.4817770925 33.2118362630 SOLV 2575 0.0000000000
|
|
7943 2776 TIP3 H1 7.6040159176 39.4157918437 32.9319918681 SOLV 2575 0.0000000000
|
|
7944 2776 TIP3 H2 7.1037685176 38.0139774932 32.6605236884 SOLV 2575 0.0000000000
|
|
7945 2777 TIP3 OH2 9.0858887336 42.4787177618 36.3313485273 SOLV 2576 0.0000000000
|
|
7946 2777 TIP3 H1 8.5682252379 42.1802238471 37.0970723541 SOLV 2576 0.0000000000
|
|
7947 2777 TIP3 H2 8.3776253917 42.5579142419 35.6643392439 SOLV 2576 0.0000000000
|
|
7948 2778 TIP3 OH2 11.7777372013 41.6212216216 35.6939172464 SOLV 2577 0.0000000000
|
|
7949 2778 TIP3 H1 10.8287988406 41.7193088272 35.9161727578 SOLV 2577 0.0000000000
|
|
7950 2778 TIP3 H2 12.1402412108 41.2610056218 36.5206061680 SOLV 2577 0.0000000000
|
|
7951 2779 TIP3 OH2 13.3996077400 40.7247007963 37.7225591574 SOLV 2578 0.0000000000
|
|
7952 2779 TIP3 H1 13.4312139646 39.7487888434 37.5810067767 SOLV 2578 0.0000000000
|
|
7953 2779 TIP3 H2 13.2435970580 40.8056702086 38.6774257765 SOLV 2578 0.0000000000
|
|
7954 2780 TIP3 OH2 3.1838380353 41.5601309576 36.9346341906 SOLV 2579 0.0000000000
|
|
7955 2780 TIP3 H1 2.9875895253 40.7959989580 36.3543246682 SOLV 2579 0.0000000000
|
|
7956 2780 TIP3 H2 3.2543573564 41.0945305337 37.7966673336 SOLV 2579 0.0000000000
|
|
7957 2781 TIP3 OH2 7.6912517766 37.8250618989 35.9496202784 SOLV 2580 0.0000000000
|
|
7958 2781 TIP3 H1 8.3483569890 37.1018969137 35.9304312191 SOLV 2580 0.0000000000
|
|
7959 2781 TIP3 H2 7.6354156083 37.9654549320 34.9845114341 SOLV 2580 0.0000000000
|
|
7960 2782 TIP3 OH2 8.3336302093 39.3116061176 38.1633092984 SOLV 2581 0.0000000000
|
|
7961 2782 TIP3 H1 8.1824117623 38.7881950135 37.3427446761 SOLV 2581 0.0000000000
|
|
7962 2782 TIP3 H2 7.7925611077 40.0944721292 37.9232229608 SOLV 2581 0.0000000000
|
|
7963 2783 TIP3 OH2 17.7323454258 48.4544080086 23.2270435158 SOLV 2582 0.0000000000
|
|
7964 2783 TIP3 H1 17.8372868396 49.3689357500 23.5240131440 SOLV 2582 0.0000000000
|
|
7965 2783 TIP3 H2 17.8726733110 47.9486660433 24.0477347267 SOLV 2582 0.0000000000
|
|
7966 2784 TIP3 OH2 18.4285317727 46.7507241328 25.3833605894 SOLV 2583 0.0000000000
|
|
7967 2784 TIP3 H1 17.6014679817 46.3721335420 25.7958462871 SOLV 2583 0.0000000000
|
|
7968 2784 TIP3 H2 19.0281601656 46.8304780176 26.1633360736 SOLV 2583 0.0000000000
|
|
7969 2785 TIP3 OH2 17.9221603894 49.6433434976 30.3207262603 SOLV 2584 0.0000000000
|
|
7970 2785 TIP3 H1 18.4633786570 49.0430418229 29.7585507929 SOLV 2584 0.0000000000
|
|
7971 2785 TIP3 H2 17.7587094895 50.3936207898 29.7294117132 SOLV 2584 0.0000000000
|
|
7972 2786 TIP3 OH2 18.5461062350 46.8119333104 21.3262815189 SOLV 2585 0.0000000000
|
|
7973 2786 TIP3 H1 17.8232319706 47.0752042376 20.7244891733 SOLV 2585 0.0000000000
|
|
7974 2786 TIP3 H2 18.3534298338 47.4242201327 22.0770342632 SOLV 2585 0.0000000000
|
|
7975 2787 TIP3 OH2 16.6860850555 43.9530977476 19.8219811259 SOLV 2586 0.0000000000
|
|
7976 2787 TIP3 H1 16.8761230562 44.4453449095 19.0113213993 SOLV 2586 0.0000000000
|
|
7977 2787 TIP3 H2 16.5550726195 43.0556719908 19.4462103451 SOLV 2586 0.0000000000
|
|
7978 2788 TIP3 OH2 16.1813163671 45.5672826940 26.0945161109 SOLV 2587 0.0000000000
|
|
7979 2788 TIP3 H1 16.1290713201 44.6945886240 25.6636948111 SOLV 2587 0.0000000000
|
|
7980 2788 TIP3 H2 15.7537521160 45.4211609010 26.9600821194 SOLV 2587 0.0000000000
|
|
7981 2789 TIP3 OH2 17.1197599689 47.4080813504 35.9626866138 SOLV 2588 0.0000000000
|
|
7982 2789 TIP3 H1 17.6983604716 46.6130961853 35.9035410941 SOLV 2588 0.0000000000
|
|
7983 2789 TIP3 H2 17.7044633863 48.0957825878 35.5673545049 SOLV 2588 0.0000000000
|
|
7984 2790 TIP3 OH2 18.3785156554 45.0371076754 35.4532178582 SOLV 2589 0.0000000000
|
|
7985 2790 TIP3 H1 17.4729712302 44.7061146958 35.6130138331 SOLV 2589 0.0000000000
|
|
7986 2790 TIP3 H2 18.9563443707 44.2733286275 35.6782894733 SOLV 2589 0.0000000000
|
|
7987 2791 TIP3 OH2 16.0815309862 41.4730465891 18.7989908641 SOLV 2590 0.0000000000
|
|
7988 2791 TIP3 H1 16.5367361914 40.9474957123 19.4829774749 SOLV 2590 0.0000000000
|
|
7989 2791 TIP3 H2 15.1443695408 41.1899008228 18.8755090685 SOLV 2590 0.0000000000
|
|
7990 2792 TIP3 OH2 15.8363797033 43.2382373624 24.0728915989 SOLV 2591 0.0000000000
|
|
7991 2792 TIP3 H1 16.0112104741 42.2710558539 24.0712289404 SOLV 2591 0.0000000000
|
|
7992 2792 TIP3 H2 16.5828756982 43.5343103294 23.5250334991 SOLV 2591 0.0000000000
|
|
7993 2793 TIP3 OH2 16.0720183319 43.4665807339 29.7542629223 SOLV 2592 0.0000000000
|
|
7994 2793 TIP3 H1 17.0154862818 43.4658565209 29.4914106146 SOLV 2592 0.0000000000
|
|
7995 2793 TIP3 H2 16.1819688168 43.6179856667 30.7110464166 SOLV 2592 0.0000000000
|
|
7996 2794 TIP3 OH2 16.3934168239 44.2018476525 32.4280543703 SOLV 2593 0.0000000000
|
|
7997 2794 TIP3 H1 15.4998286630 44.4378298384 32.7237572986 SOLV 2593 0.0000000000
|
|
7998 2794 TIP3 H2 16.8441746389 45.0683888754 32.3264787523 SOLV 2593 0.0000000000
|
|
7999 2795 TIP3 OH2 1.0325896303 43.1615172156 36.7594531716 SOLV 2594 0.0000000000
|
|
8000 2795 TIP3 H1 1.8591221146 42.6338365650 36.7008282348 SOLV 2594 0.0000000000
|
|
8001 2795 TIP3 H2 0.3990031900 42.5661793721 36.3124791005 SOLV 2594 0.0000000000
|
|
8002 2796 TIP3 OH2 18.6568797483 38.7264084966 37.5329875836 SOLV 2595 0.0000000000
|
|
8003 2796 TIP3 H1 19.3826227813 38.1266845199 37.2239424218 SOLV 2595 0.0000000000
|
|
8004 2796 TIP3 H2 18.6524877890 39.3690285959 36.7833946529 SOLV 2595 0.0000000000
|
|
8005 2797 TIP3 OH2 16.3791847037 40.5551193278 24.0386521283 SOLV 2596 0.0000000000
|
|
8006 2797 TIP3 H1 16.6003057517 40.2110078918 24.9382325589 SOLV 2596 0.0000000000
|
|
8007 2797 TIP3 H2 15.7647361891 39.8770337840 23.6914923766 SOLV 2596 0.0000000000
|
|
8008 2798 TIP3 OH2 1.7982834798 40.8429498517 28.6602755233 SOLV 2597 0.0000000000
|
|
8009 2798 TIP3 H1 2.4699773104 40.1307908207 28.6517107283 SOLV 2597 0.0000000000
|
|
8010 2798 TIP3 H2 2.3553180357 41.6417248894 28.7371219982 SOLV 2597 0.0000000000
|
|
8011 2799 TIP3 OH2 -0.2167936239 43.4553580845 29.3037623468 SOLV 2598 0.0000000000
|
|
8012 2799 TIP3 H1 0.6408634155 43.5343246977 28.8420901034 SOLV 2598 0.0000000000
|
|
8013 2799 TIP3 H2 0.0376850789 43.7023302551 30.1949033091 SOLV 2598 0.0000000000
|
|
8014 2800 TIP3 OH2 18.0343662397 40.2861622098 35.3806461968 SOLV 2599 0.0000000000
|
|
8015 2800 TIP3 H1 17.2050666531 40.7862485407 35.2157035474 SOLV 2599 0.0000000000
|
|
8016 2800 TIP3 H2 17.8740477429 39.5334967704 34.7679058765 SOLV 2599 0.0000000000
|
|
8017 2801 TIP3 OH2 17.7518620617 40.1152607783 20.7463959686 SOLV 2600 0.0000000000
|
|
8018 2801 TIP3 H1 18.1758772738 39.6069025971 20.0062894081 SOLV 2600 0.0000000000
|
|
8019 2801 TIP3 H2 18.4857276961 40.6580682359 21.0744122372 SOLV 2600 0.0000000000
|
|
8020 2802 TIP3 OH2 1.7225388554 39.8791562377 23.5973290102 SOLV 2601 0.0000000000
|
|
8021 2802 TIP3 H1 0.9146655339 39.6779584962 24.0835107185 SOLV 2601 0.0000000000
|
|
8022 2802 TIP3 H2 1.5817201484 40.8231030666 23.4150313631 SOLV 2601 0.0000000000
|
|
8023 2803 TIP3 OH2 0.8734838262 39.1205604212 32.0894923688 SOLV 2602 0.0000000000
|
|
8024 2803 TIP3 H1 -0.0523555866 38.8877847251 32.3026833801 SOLV 2602 0.0000000000
|
|
8025 2803 TIP3 H2 0.8098910364 39.3105733941 31.1415879483 SOLV 2602 0.0000000000
|
|
8026 2804 TIP3 OH2 17.1513931382 38.1185475884 33.8349691560 SOLV 2603 0.0000000000
|
|
8027 2804 TIP3 H1 16.3368604310 38.1055764684 33.3067482477 SOLV 2603 0.0000000000
|
|
8028 2804 TIP3 H2 17.5518581651 37.2391117768 33.6245288919 SOLV 2603 0.0000000000
|
|
8029 2805 TIP3 OH2 10.5088748979 39.9771982138 28.3964315363 SOLV 2604 0.0000000000
|
|
8030 2805 TIP3 H1 10.1134335590 39.1100758855 28.5760029123 SOLV 2604 0.0000000000
|
|
8031 2805 TIP3 H2 11.2483931120 39.7245368750 27.8176738395 SOLV 2604 0.0000000000
|
|
8032 2806 TIP3 OH2 15.5110505896 38.1152903604 27.9532938609 SOLV 2605 0.0000000000
|
|
8033 2806 TIP3 H1 16.1086960681 38.6393063511 27.3730559522 SOLV 2605 0.0000000000
|
|
8034 2806 TIP3 H2 14.6608942505 38.5743857597 27.8331137233 SOLV 2605 0.0000000000
|
|
8035 2807 TIP3 OH2 17.3415416094 39.1248283173 26.2910316627 SOLV 2606 0.0000000000
|
|
8036 2807 TIP3 H1 18.0018351375 38.4687591186 25.9920263704 SOLV 2606 0.0000000000
|
|
8037 2807 TIP3 H2 17.9812702470 39.7969820261 26.6403344052 SOLV 2606 0.0000000000
|
|
8038 2808 TIP3 OH2 3.2032993321 38.1656198409 26.0195503390 SOLV 2607 0.0000000000
|
|
8039 2808 TIP3 H1 2.2766301055 38.0061514267 25.7288711687 SOLV 2607 0.0000000000
|
|
8040 2808 TIP3 H2 3.5941872086 37.2803206192 25.8582527896 SOLV 2607 0.0000000000
|
|
8041 2809 TIP3 OH2 1.8164669566 38.2331895009 21.3690202021 SOLV 2608 0.0000000000
|
|
8042 2809 TIP3 H1 2.4232175728 38.6133107188 20.7125411946 SOLV 2608 0.0000000000
|
|
8043 2809 TIP3 H2 1.9343924234 38.8367888200 22.1306108283 SOLV 2608 0.0000000000
|
|
8044 2810 TIP3 OH2 7.4575201378 37.9919040482 26.0098779365 SOLV 2609 0.0000000000
|
|
8045 2810 TIP3 H1 8.1758154120 38.3405997456 25.4705261440 SOLV 2609 0.0000000000
|
|
8046 2810 TIP3 H2 7.8300018088 38.0683450682 26.9101777780 SOLV 2609 0.0000000000
|
|
8047 2811 TIP3 OH2 12.7767884500 38.7372679623 27.1034493029 SOLV 2610 0.0000000000
|
|
8048 2811 TIP3 H1 12.8667808390 38.3576978856 26.2215796835 SOLV 2610 0.0000000000
|
|
8049 2811 TIP3 H2 12.5245528405 37.9391622689 27.6358015883 SOLV 2610 0.0000000000
|
|
8050 2812 TIP3 OH2 14.3043276053 38.8314802262 23.3745969076 SOLV 2611 0.0000000000
|
|
8051 2812 TIP3 H1 13.5656066917 39.4059720039 23.6497455241 SOLV 2611 0.0000000000
|
|
8052 2812 TIP3 H2 13.9601340418 37.9263214094 23.5163775226 SOLV 2611 0.0000000000
|
|
8053 2813 TIP3 OH2 3.8413004772 40.1531368060 20.3065848560 SOLV 2612 0.0000000000
|
|
8054 2813 TIP3 H1 4.3504529988 39.6675373732 19.6235134900 SOLV 2612 0.0000000000
|
|
8055 2813 TIP3 H2 4.5794075334 40.3411198491 20.9136022643 SOLV 2612 0.0000000000
|
|
8056 2814 TIP3 OH2 8.6149904517 40.6037896504 22.7418886365 SOLV 2613 0.0000000000
|
|
8057 2814 TIP3 H1 9.0041820002 40.0652919332 23.4394130628 SOLV 2613 0.0000000000
|
|
8058 2814 TIP3 H2 8.7905851290 41.4887958216 23.1295671939 SOLV 2613 0.0000000000
|
|
8059 2815 TIP3 OH2 2.9390238718 39.1031599263 35.5443058116 SOLV 2614 0.0000000000
|
|
8060 2815 TIP3 H1 2.4692780219 38.2584353118 35.5995906639 SOLV 2614 0.0000000000
|
|
8061 2815 TIP3 H2 3.7569386526 38.8696853576 36.0366498370 SOLV 2614 0.0000000000
|
|
8062 2816 TIP3 OH2 5.1204031313 38.4525157332 37.1969197944 SOLV 2615 0.0000000000
|
|
8063 2816 TIP3 H1 6.0157143245 38.2292985788 36.8652316814 SOLV 2615 0.0000000000
|
|
8064 2816 TIP3 H2 4.8268218786 37.5570277247 37.4862475740 SOLV 2615 0.0000000000
|
|
8065 2817 TIP3 OH2 13.4765310389 37.9860219305 37.3390768164 SOLV 2616 0.0000000000
|
|
8066 2817 TIP3 H1 13.3473229442 37.4658247849 38.1625209101 SOLV 2616 0.0000000000
|
|
8067 2817 TIP3 H2 14.3762882317 37.6915682986 37.1055546939 SOLV 2616 0.0000000000
|
|
8068 2818 TIP3 OH2 30.8957791235 47.5909254665 25.7409780139 SOLV 2617 0.0000000000
|
|
8069 2818 TIP3 H1 30.7324812346 48.3083232233 26.3613870871 SOLV 2617 0.0000000000
|
|
8070 2818 TIP3 H2 30.1719380952 47.6997817942 25.0974138477 SOLV 2617 0.0000000000
|
|
8071 2819 TIP3 OH2 29.7587819404 46.7867276091 29.4090056881 SOLV 2618 0.0000000000
|
|
8072 2819 TIP3 H1 29.8339238042 46.3815721446 30.2888702023 SOLV 2618 0.0000000000
|
|
8073 2819 TIP3 H2 29.1788255722 46.1582314582 28.9143160868 SOLV 2618 0.0000000000
|
|
8074 2820 TIP3 OH2 21.7346201873 46.3310469346 30.9318249636 SOLV 2619 0.0000000000
|
|
8075 2820 TIP3 H1 21.8548141540 45.4545645909 31.3542018313 SOLV 2619 0.0000000000
|
|
8076 2820 TIP3 H2 22.2866334461 46.8822652124 31.4994062359 SOLV 2619 0.0000000000
|
|
8077 2821 TIP3 OH2 33.0298417059 49.2359614232 27.8603396554 SOLV 2620 0.0000000000
|
|
8078 2821 TIP3 H1 32.9868721442 48.6201051411 28.6145025867 SOLV 2620 0.0000000000
|
|
8079 2821 TIP3 H2 33.7875885049 49.8261561671 28.0674513248 SOLV 2620 0.0000000000
|
|
8080 2822 TIP3 OH2 19.8833308749 44.2608828452 24.5109998543 SOLV 2621 0.0000000000
|
|
8081 2822 TIP3 H1 19.6529602241 45.1809826724 24.7133368491 SOLV 2621 0.0000000000
|
|
8082 2822 TIP3 H2 19.3178327839 44.1023148506 23.7484894677 SOLV 2621 0.0000000000
|
|
8083 2823 TIP3 OH2 20.3436070251 46.8033537556 27.3199588100 SOLV 2622 0.0000000000
|
|
8084 2823 TIP3 H1 20.6682435304 45.8802452354 27.4330944008 SOLV 2622 0.0000000000
|
|
8085 2823 TIP3 H2 21.1622497167 47.2952175157 27.5501816920 SOLV 2622 0.0000000000
|
|
8086 2824 TIP3 OH2 28.2764505091 48.9918140065 29.9508789761 SOLV 2623 0.0000000000
|
|
8087 2824 TIP3 H1 28.7787742294 48.2778778140 29.4942951250 SOLV 2623 0.0000000000
|
|
8088 2824 TIP3 H2 28.9468390102 49.2268640814 30.6321159436 SOLV 2623 0.0000000000
|
|
8089 2825 TIP3 OH2 37.0183718446 41.2259796257 30.6407093864 SOLV 2624 0.0000000000
|
|
8090 2825 TIP3 H1 37.0427306948 41.6546561657 31.5210120325 SOLV 2624 0.0000000000
|
|
8091 2825 TIP3 H2 37.2340139026 42.0036470491 30.0925111147 SOLV 2624 0.0000000000
|
|
8092 2826 TIP3 OH2 31.3652473618 43.7035879755 29.9708304504 SOLV 2625 0.0000000000
|
|
8093 2826 TIP3 H1 31.5164964451 42.7364521972 29.9376396101 SOLV 2625 0.0000000000
|
|
8094 2826 TIP3 H2 31.2434163709 43.9133377079 29.0231074493 SOLV 2625 0.0000000000
|
|
8095 2827 TIP3 OH2 24.7451782879 41.7066698993 27.0978133086 SOLV 2626 0.0000000000
|
|
8096 2827 TIP3 H1 24.9473921582 42.4810579951 26.5436873017 SOLV 2626 0.0000000000
|
|
8097 2827 TIP3 H2 24.2148605445 41.1700148823 26.4780258523 SOLV 2626 0.0000000000
|
|
8098 2828 TIP3 OH2 32.8569323808 41.9218995627 25.5211963109 SOLV 2627 0.0000000000
|
|
8099 2828 TIP3 H1 33.1059440009 41.8174806037 26.4705090939 SOLV 2627 0.0000000000
|
|
8100 2828 TIP3 H2 33.5947882151 42.4565439133 25.1485604042 SOLV 2627 0.0000000000
|
|
8101 2829 TIP3 OH2 21.1724031065 44.3038036810 27.8726869153 SOLV 2628 0.0000000000
|
|
8102 2829 TIP3 H1 21.7526802596 43.8331508427 28.4923711470 SOLV 2628 0.0000000000
|
|
8103 2829 TIP3 H2 21.4722275294 43.9358524826 27.0152545248 SOLV 2628 0.0000000000
|
|
8104 2830 TIP3 OH2 26.0067718490 45.8370530581 27.5791558358 SOLV 2629 0.0000000000
|
|
8105 2830 TIP3 H1 26.8409549776 45.4173340938 27.8614991301 SOLV 2629 0.0000000000
|
|
8106 2830 TIP3 H2 25.7206867817 45.1668459720 26.9323926111 SOLV 2629 0.0000000000
|
|
8107 2831 TIP3 OH2 37.2275638464 42.4053947896 33.0735355949 SOLV 2630 0.0000000000
|
|
8108 2831 TIP3 H1 36.6743189519 43.1988125413 32.9151444178 SOLV 2630 0.0000000000
|
|
8109 2831 TIP3 H2 37.6069352721 42.6453618104 33.9366163263 SOLV 2630 0.0000000000
|
|
8110 2832 TIP3 OH2 23.6693093173 40.8725108166 31.3412278344 SOLV 2631 0.0000000000
|
|
8111 2832 TIP3 H1 23.2698358587 41.3674291424 30.5915446657 SOLV 2631 0.0000000000
|
|
8112 2832 TIP3 H2 22.9237399003 40.9370171496 31.9743229757 SOLV 2631 0.0000000000
|
|
8113 2833 TIP3 OH2 25.7460380075 48.5645422256 30.9204418507 SOLV 2632 0.0000000000
|
|
8114 2833 TIP3 H1 25.3475802099 49.4611624419 30.9379549494 SOLV 2632 0.0000000000
|
|
8115 2833 TIP3 H2 26.6230168806 48.7940119155 30.5438823109 SOLV 2632 0.0000000000
|
|
8116 2834 TIP3 OH2 33.5692345781 41.6265438812 28.1432871526 SOLV 2633 0.0000000000
|
|
8117 2834 TIP3 H1 32.7652959651 41.3022557738 28.5914907917 SOLV 2633 0.0000000000
|
|
8118 2834 TIP3 H2 33.9598418556 42.2047214994 28.8425858633 SOLV 2633 0.0000000000
|
|
8119 2835 TIP3 OH2 23.2258345167 42.6665010305 29.2302320541 SOLV 2634 0.0000000000
|
|
8120 2835 TIP3 H1 23.8423109219 43.2696024598 29.7164279795 SOLV 2634 0.0000000000
|
|
8121 2835 TIP3 H2 23.7861362983 42.4122786063 28.4513426878 SOLV 2634 0.0000000000
|
|
8122 2836 TIP3 OH2 34.5052017573 39.8555143449 31.1146712956 SOLV 2635 0.0000000000
|
|
8123 2836 TIP3 H1 33.8154152682 40.3900776740 30.6904580241 SOLV 2635 0.0000000000
|
|
8124 2836 TIP3 H2 35.3283411389 40.2632858167 30.7779137917 SOLV 2635 0.0000000000
|
|
8125 2837 TIP3 OH2 26.9579886581 38.0900482333 28.8770293355 SOLV 2636 0.0000000000
|
|
8126 2837 TIP3 H1 26.6966713190 37.1462497760 28.7879249249 SOLV 2636 0.0000000000
|
|
8127 2837 TIP3 H2 26.1059616648 38.4887664776 29.2024223363 SOLV 2636 0.0000000000
|
|
8128 2838 TIP3 OH2 29.4859401007 47.0340031370 23.4299141618 SOLV 2637 0.0000000000
|
|
8129 2838 TIP3 H1 28.8127055809 47.6482166020 23.0769314013 SOLV 2637 0.0000000000
|
|
8130 2838 TIP3 H2 30.2371918071 47.1973593295 22.8328904190 SOLV 2637 0.0000000000
|
|
8131 2839 TIP3 OH2 29.7435212215 45.6318613024 19.8517212952 SOLV 2638 0.0000000000
|
|
8132 2839 TIP3 H1 30.4294877991 45.9648481311 20.4742522140 SOLV 2638 0.0000000000
|
|
8133 2839 TIP3 H2 29.6281756077 44.7640431835 20.2668360840 SOLV 2638 0.0000000000
|
|
8134 2840 TIP3 OH2 36.7065371237 46.4075419787 31.5953641248 SOLV 2639 0.0000000000
|
|
8135 2840 TIP3 H1 36.0994398872 47.1720135634 31.7336978413 SOLV 2639 0.0000000000
|
|
8136 2840 TIP3 H2 37.2826315649 46.7606857853 30.8779416038 SOLV 2639 0.0000000000
|
|
8137 2841 TIP3 OH2 32.7733992843 46.2774956832 24.2572670269 SOLV 2640 0.0000000000
|
|
8138 2841 TIP3 H1 32.1021079450 46.7823153427 24.7769427684 SOLV 2640 0.0000000000
|
|
8139 2841 TIP3 H2 33.4661626483 46.1700948415 24.9470018448 SOLV 2640 0.0000000000
|
|
8140 2842 TIP3 OH2 33.0226955146 45.1625867888 33.6714707950 SOLV 2641 0.0000000000
|
|
8141 2842 TIP3 H1 32.9933857948 45.9072706222 34.3084267796 SOLV 2641 0.0000000000
|
|
8142 2842 TIP3 H2 32.3283338269 45.4357349717 33.0410858949 SOLV 2641 0.0000000000
|
|
8143 2843 TIP3 OH2 24.4081293003 47.5199955743 26.0937904130 SOLV 2642 0.0000000000
|
|
8144 2843 TIP3 H1 24.2297446722 47.1251315369 25.2066188101 SOLV 2642 0.0000000000
|
|
8145 2843 TIP3 H2 25.0754787827 46.9117858266 26.4811992600 SOLV 2642 0.0000000000
|
|
8146 2844 TIP3 OH2 24.6628020463 46.3654585152 29.8576485160 SOLV 2643 0.0000000000
|
|
8147 2844 TIP3 H1 25.0545930962 46.2722484796 28.9536517136 SOLV 2643 0.0000000000
|
|
8148 2844 TIP3 H2 25.2147269689 47.0957323767 30.2180797596 SOLV 2643 0.0000000000
|
|
8149 2845 TIP3 OH2 31.7137022615 46.0768410116 21.6555557539 SOLV 2644 0.0000000000
|
|
8150 2845 TIP3 H1 32.1336313291 46.0797497823 22.5452369737 SOLV 2644 0.0000000000
|
|
8151 2845 TIP3 H2 32.4162923257 46.5320183410 21.1600904098 SOLV 2644 0.0000000000
|
|
8152 2846 TIP3 OH2 23.0856631963 46.6883848655 33.7815376755 SOLV 2645 0.0000000000
|
|
8153 2846 TIP3 H1 23.2416223693 47.4622249376 34.3633886875 SOLV 2645 0.0000000000
|
|
8154 2846 TIP3 H2 22.1524012295 46.5327685280 33.9896528828 SOLV 2645 0.0000000000
|
|
8155 2847 TIP3 OH2 35.6054489136 38.1586207724 22.0056737713 SOLV 2646 0.0000000000
|
|
8156 2847 TIP3 H1 34.7450975035 38.4172267788 22.3830317030 SOLV 2646 0.0000000000
|
|
8157 2847 TIP3 H2 35.8665839660 38.9942862002 21.5525240177 SOLV 2646 0.0000000000
|
|
8158 2848 TIP3 OH2 23.5208972478 46.4964587403 23.7023628884 SOLV 2647 0.0000000000
|
|
8159 2848 TIP3 H1 23.1638487788 47.3057894108 23.2782009973 SOLV 2647 0.0000000000
|
|
8160 2848 TIP3 H2 22.9344360131 45.8300795370 23.3286087797 SOLV 2647 0.0000000000
|
|
8161 2849 TIP3 OH2 19.6492582883 49.2000162184 32.5744624337 SOLV 2648 0.0000000000
|
|
8162 2849 TIP3 H1 19.1147488801 49.0540390845 31.7689785971 SOLV 2648 0.0000000000
|
|
8163 2849 TIP3 H2 20.1567056471 48.3736763823 32.6085420291 SOLV 2648 0.0000000000
|
|
8164 2850 TIP3 OH2 34.6671107816 43.7680605572 35.7766447599 SOLV 2649 0.0000000000
|
|
8165 2850 TIP3 H1 34.0630971767 44.1510416559 35.1042425102 SOLV 2649 0.0000000000
|
|
8166 2850 TIP3 H2 34.6597844927 42.8120011063 35.5207752131 SOLV 2649 0.0000000000
|
|
8167 2851 TIP3 OH2 24.6588368869 39.0161383337 29.7608676576 SOLV 2650 0.0000000000
|
|
8168 2851 TIP3 H1 23.8223777964 38.9445642815 29.2678231037 SOLV 2650 0.0000000000
|
|
8169 2851 TIP3 H2 24.4115281628 39.7031733217 30.4166850319 SOLV 2650 0.0000000000
|
|
8170 2852 TIP3 OH2 29.4063473887 38.4513729672 33.1215958083 SOLV 2651 0.0000000000
|
|
8171 2852 TIP3 H1 29.8116829646 38.0940583606 33.9346593888 SOLV 2651 0.0000000000
|
|
8172 2852 TIP3 H2 28.4449426225 38.4498832414 33.3060287744 SOLV 2651 0.0000000000
|
|
8173 2853 TIP3 OH2 32.0798224633 42.6738847490 33.7249576088 SOLV 2652 0.0000000000
|
|
8174 2853 TIP3 H1 31.4197733184 42.4829219685 34.4399159924 SOLV 2652 0.0000000000
|
|
8175 2853 TIP3 H2 32.1115695431 43.6454462023 33.6921786281 SOLV 2652 0.0000000000
|
|
8176 2854 TIP3 OH2 33.6966059756 46.7175371508 19.7222485301 SOLV 2653 0.0000000000
|
|
8177 2854 TIP3 H1 33.2446142599 47.3176471701 19.0991442694 SOLV 2653 0.0000000000
|
|
8178 2854 TIP3 H2 34.5105667792 47.2539894151 19.8661346241 SOLV 2653 0.0000000000
|
|
8179 2855 TIP3 OH2 29.5344211405 40.5509094298 20.3718118039 SOLV 2654 0.0000000000
|
|
8180 2855 TIP3 H1 29.0518964122 40.5778785301 21.2208463096 SOLV 2654 0.0000000000
|
|
8181 2855 TIP3 H2 28.8323456393 40.1814850999 19.7834599124 SOLV 2654 0.0000000000
|
|
8182 2856 TIP3 OH2 24.7782534177 43.9802671972 30.9741150770 SOLV 2655 0.0000000000
|
|
8183 2856 TIP3 H1 23.9813617517 43.8967081696 31.5375164508 SOLV 2655 0.0000000000
|
|
8184 2856 TIP3 H2 24.5969949379 44.8505262922 30.5427916637 SOLV 2655 0.0000000000
|
|
8185 2857 TIP3 OH2 24.9421111215 44.0832760595 25.7719701737 SOLV 2656 0.0000000000
|
|
8186 2857 TIP3 H1 23.9675169499 44.0611785504 25.6581563791 SOLV 2656 0.0000000000
|
|
8187 2857 TIP3 H2 25.2365077636 44.0128884934 24.8347213109 SOLV 2656 0.0000000000
|
|
8188 2858 TIP3 OH2 30.3564528270 44.6679650472 24.6479965910 SOLV 2657 0.0000000000
|
|
8189 2858 TIP3 H1 29.9224211241 45.4676383163 24.2713848342 SOLV 2657 0.0000000000
|
|
8190 2858 TIP3 H2 31.2781408153 44.8903238137 24.4501134573 SOLV 2657 0.0000000000
|
|
8191 2859 TIP3 OH2 29.4395304494 44.4045481981 35.7374446364 SOLV 2658 0.0000000000
|
|
8192 2859 TIP3 H1 28.8541976899 43.7096353676 36.1261647763 SOLV 2658 0.0000000000
|
|
8193 2859 TIP3 H2 30.2400095630 44.3490614936 36.3020516269 SOLV 2658 0.0000000000
|
|
8194 2860 TIP3 OH2 31.1686111587 43.8068127070 27.1894540116 SOLV 2659 0.0000000000
|
|
8195 2860 TIP3 H1 30.6259484222 44.4393626133 26.6752651967 SOLV 2659 0.0000000000
|
|
8196 2860 TIP3 H2 31.3637795127 43.1793038492 26.4690690919 SOLV 2659 0.0000000000
|
|
8197 2861 TIP3 OH2 22.3869302211 43.9108762166 32.1640512869 SOLV 2660 0.0000000000
|
|
8198 2861 TIP3 H1 22.5506429343 44.4835091781 32.9219992059 SOLV 2660 0.0000000000
|
|
8199 2861 TIP3 H2 22.0035870107 43.0950128604 32.5767546561 SOLV 2660 0.0000000000
|
|
8200 2862 TIP3 OH2 25.5599953195 41.4779632408 19.2720181027 SOLV 2661 0.0000000000
|
|
8201 2862 TIP3 H1 25.2070168949 41.2698376371 20.1633365335 SOLV 2661 0.0000000000
|
|
8202 2862 TIP3 H2 25.1039831792 42.3052724682 19.0424607210 SOLV 2661 0.0000000000
|
|
8203 2863 TIP3 OH2 19.0864220070 40.9605140846 26.8329640526 SOLV 2662 0.0000000000
|
|
8204 2863 TIP3 H1 19.7740315702 41.0030635361 27.5231131671 SOLV 2662 0.0000000000
|
|
8205 2863 TIP3 H2 19.5553872912 41.1300582188 25.9929463716 SOLV 2662 0.0000000000
|
|
8206 2864 TIP3 OH2 19.3806897352 42.0380325319 21.7879023942 SOLV 2663 0.0000000000
|
|
8207 2864 TIP3 H1 20.1212306682 42.4906538728 21.3176442981 SOLV 2663 0.0000000000
|
|
8208 2864 TIP3 H2 18.8151347536 42.8294640437 21.9574303280 SOLV 2663 0.0000000000
|
|
8209 2865 TIP3 OH2 30.5353241123 45.4758777241 31.7793163393 SOLV 2664 0.0000000000
|
|
8210 2865 TIP3 H1 31.0188778169 44.8148956743 31.2320304961 SOLV 2664 0.0000000000
|
|
8211 2865 TIP3 H2 29.8726633734 44.9238796449 32.2557117424 SOLV 2664 0.0000000000
|
|
8212 2866 TIP3 OH2 27.6911093717 41.7277811567 26.9359981329 SOLV 2665 0.0000000000
|
|
8213 2866 TIP3 H1 26.7703966239 41.6749332599 27.2478097731 SOLV 2665 0.0000000000
|
|
8214 2866 TIP3 H2 28.1496719707 41.1111953841 27.5348821482 SOLV 2665 0.0000000000
|
|
8215 2867 TIP3 OH2 22.2398558045 43.3691166618 25.5695585508 SOLV 2666 0.0000000000
|
|
8216 2867 TIP3 H1 21.4764205234 43.7064727462 25.0348067931 SOLV 2666 0.0000000000
|
|
8217 2867 TIP3 H2 22.3071327293 42.4520915123 25.2511262247 SOLV 2666 0.0000000000
|
|
8218 2868 TIP3 OH2 25.4661477576 43.2724664499 23.2202093257 SOLV 2667 0.0000000000
|
|
8219 2868 TIP3 H1 26.3684225661 43.0192175670 22.9930623983 SOLV 2667 0.0000000000
|
|
8220 2868 TIP3 H2 25.2035703388 43.7613772339 22.4032482179 SOLV 2667 0.0000000000
|
|
8221 2869 TIP3 OH2 31.4354260749 41.0355339602 29.7070368802 SOLV 2668 0.0000000000
|
|
8222 2869 TIP3 H1 31.2414397673 40.8142740920 30.6541450830 SOLV 2668 0.0000000000
|
|
8223 2869 TIP3 H2 30.6065320636 40.7144003235 29.3067869067 SOLV 2668 0.0000000000
|
|
8224 2870 TIP3 OH2 24.8621509495 44.2861369774 20.8028910726 SOLV 2669 0.0000000000
|
|
8225 2870 TIP3 H1 24.2481634615 44.0163673018 20.0843112908 SOLV 2669 0.0000000000
|
|
8226 2870 TIP3 H2 25.5530225472 44.7304388038 20.2774898239 SOLV 2669 0.0000000000
|
|
8227 2871 TIP3 OH2 23.0133445568 48.5625132218 35.9154111413 SOLV 2670 0.0000000000
|
|
8228 2871 TIP3 H1 23.5513169857 49.0448056541 36.5580250904 SOLV 2670 0.0000000000
|
|
8229 2871 TIP3 H2 22.1116386257 48.8338475402 36.2401763089 SOLV 2670 0.0000000000
|
|
8230 2872 TIP3 OH2 28.3083263604 44.5306740801 28.5476614482 SOLV 2671 0.0000000000
|
|
8231 2872 TIP3 H1 28.8968509779 43.7811976425 28.3595143891 SOLV 2671 0.0000000000
|
|
8232 2872 TIP3 H2 27.9012071385 44.2324594780 29.3901391120 SOLV 2671 0.0000000000
|
|
8233 2873 TIP3 OH2 23.0373376344 40.7109706687 25.2654837592 SOLV 2672 0.0000000000
|
|
8234 2873 TIP3 H1 22.5015353108 39.9888207831 25.6652751855 SOLV 2672 0.0000000000
|
|
8235 2873 TIP3 H2 23.6155845208 40.2071603030 24.6755479633 SOLV 2672 0.0000000000
|
|
8236 2874 TIP3 OH2 27.3729851568 43.1607026598 30.9006894898 SOLV 2673 0.0000000000
|
|
8237 2874 TIP3 H1 26.4957410051 43.5675957425 31.0677666081 SOLV 2673 0.0000000000
|
|
8238 2874 TIP3 H2 27.9122603057 43.5372024490 31.6255213625 SOLV 2673 0.0000000000
|
|
8239 2875 TIP3 OH2 27.6153046203 48.7446440630 22.5802735299 SOLV 2674 0.0000000000
|
|
8240 2875 TIP3 H1 26.8710015666 48.2177360776 22.2172883906 SOLV 2674 0.0000000000
|
|
8241 2875 TIP3 H2 27.2486898755 48.9349076344 23.4711500480 SOLV 2674 0.0000000000
|
|
8242 2876 TIP3 OH2 34.7362644498 48.3940194814 31.4104903049 SOLV 2675 0.0000000000
|
|
8243 2876 TIP3 H1 35.3280264645 48.7564792018 30.7133685886 SOLV 2675 0.0000000000
|
|
8244 2876 TIP3 H2 33.9308728656 48.1457724362 30.9106037253 SOLV 2675 0.0000000000
|
|
8245 2877 TIP3 OH2 29.7933800898 49.5431339037 34.6034916746 SOLV 2676 0.0000000000
|
|
8246 2877 TIP3 H1 29.8325456885 48.7921445034 35.2448831688 SOLV 2676 0.0000000000
|
|
8247 2877 TIP3 H2 29.0177670495 50.0159137175 35.0067698146 SOLV 2676 0.0000000000
|
|
8248 2878 TIP3 OH2 22.5945446927 48.0309886559 28.2626091461 SOLV 2677 0.0000000000
|
|
8249 2878 TIP3 H1 23.3149150515 47.8754438516 27.6045280405 SOLV 2677 0.0000000000
|
|
8250 2878 TIP3 H2 22.8609091519 47.4672816102 29.0193313416 SOLV 2677 0.0000000000
|
|
8251 2879 TIP3 OH2 20.0026253447 46.3900688193 33.6538007110 SOLV 2678 0.0000000000
|
|
8252 2879 TIP3 H1 19.6575267853 46.0573980656 34.5004481328 SOLV 2678 0.0000000000
|
|
8253 2879 TIP3 H2 19.2468650049 46.2488236299 33.0510140438 SOLV 2678 0.0000000000
|
|
8254 2880 TIP3 OH2 27.1028121191 45.8484429671 36.0969926940 SOLV 2679 0.0000000000
|
|
8255 2880 TIP3 H1 26.5317106943 45.5923391297 35.3459189697 SOLV 2679 0.0000000000
|
|
8256 2880 TIP3 H2 27.9455820023 45.4703838637 35.7875009264 SOLV 2679 0.0000000000
|
|
8257 2881 TIP3 OH2 37.2149741982 43.9211602115 22.5082328152 SOLV 2680 0.0000000000
|
|
8258 2881 TIP3 H1 36.9195439072 43.4423134726 21.7209109455 SOLV 2680 0.0000000000
|
|
8259 2881 TIP3 H2 37.2694379569 44.8393740881 22.1740537520 SOLV 2680 0.0000000000
|
|
8260 2882 TIP3 OH2 37.3923013277 49.3957416184 34.8765803487 SOLV 2681 0.0000000000
|
|
8261 2882 TIP3 H1 36.7863701812 50.1282307647 34.6486651908 SOLV 2681 0.0000000000
|
|
8262 2882 TIP3 H2 37.7596762917 49.2648058094 33.9702537878 SOLV 2681 0.0000000000
|
|
8263 2883 TIP3 OH2 32.6766212541 47.3131623438 29.8213872208 SOLV 2682 0.0000000000
|
|
8264 2883 TIP3 H1 31.7038774932 47.2168373746 29.7390254278 SOLV 2682 0.0000000000
|
|
8265 2883 TIP3 H2 32.9628795887 46.5555750554 29.2603448763 SOLV 2682 0.0000000000
|
|
8266 2884 TIP3 OH2 21.2117107587 46.5560034339 20.5933791111 SOLV 2683 0.0000000000
|
|
8267 2884 TIP3 H1 21.6832015910 47.1769706425 21.1990800039 SOLV 2683 0.0000000000
|
|
8268 2884 TIP3 H2 20.2663764770 46.7180526146 20.8216618396 SOLV 2683 0.0000000000
|
|
8269 2885 TIP3 OH2 26.4930735104 48.9906355998 24.9648354888 SOLV 2684 0.0000000000
|
|
8270 2885 TIP3 H1 26.3126998624 49.9256835028 25.2241088676 SOLV 2684 0.0000000000
|
|
8271 2885 TIP3 H2 25.9901495983 48.4924089860 25.6224000289 SOLV 2684 0.0000000000
|
|
8272 2886 TIP3 OH2 30.1637717570 48.8040219262 31.8833358510 SOLV 2685 0.0000000000
|
|
8273 2886 TIP3 H1 30.3115869086 48.7530620709 32.8454635072 SOLV 2685 0.0000000000
|
|
8274 2886 TIP3 H2 31.0534513424 48.6675940553 31.5368662515 SOLV 2685 0.0000000000
|
|
8275 2887 TIP3 OH2 21.5105811580 41.5117447418 33.1202165886 SOLV 2686 0.0000000000
|
|
8276 2887 TIP3 H1 20.5452962427 41.6748081859 33.1111782781 SOLV 2686 0.0000000000
|
|
8277 2887 TIP3 H2 21.5938445810 40.8329692320 33.8245778972 SOLV 2686 0.0000000000
|
|
8278 2888 TIP3 OH2 33.5265439689 48.6366046378 22.5071429516 SOLV 2687 0.0000000000
|
|
8279 2888 TIP3 H1 33.7341814792 48.0183991393 23.2263931981 SOLV 2687 0.0000000000
|
|
8280 2888 TIP3 H2 34.3980289971 48.9646688450 22.2128545287 SOLV 2687 0.0000000000
|
|
8281 2889 TIP3 OH2 22.4626157801 48.4090697015 22.0457930545 SOLV 2688 0.0000000000
|
|
8282 2889 TIP3 H1 21.7765054287 49.1107394627 22.1408954945 SOLV 2688 0.0000000000
|
|
8283 2889 TIP3 H2 23.0888934496 48.8815462572 21.4682399728 SOLV 2688 0.0000000000
|
|
8284 2890 TIP3 OH2 30.7938159047 40.5361386395 32.2069095033 SOLV 2689 0.0000000000
|
|
8285 2890 TIP3 H1 31.1983586899 41.0436767380 32.9343654011 SOLV 2689 0.0000000000
|
|
8286 2890 TIP3 H2 30.2938481503 39.8382646390 32.6781004540 SOLV 2689 0.0000000000
|
|
8287 2891 TIP3 OH2 31.1319746342 40.5533294541 23.9510592922 SOLV 2690 0.0000000000
|
|
8288 2891 TIP3 H1 30.7411886609 41.0830223633 23.2551080118 SOLV 2690 0.0000000000
|
|
8289 2891 TIP3 H2 31.7353955636 41.1954996934 24.3953911258 SOLV 2690 0.0000000000
|
|
8290 2892 TIP3 OH2 28.4236242670 42.4811979265 24.4506534892 SOLV 2691 0.0000000000
|
|
8291 2892 TIP3 H1 28.8569438742 43.3535653587 24.4455456485 SOLV 2691 0.0000000000
|
|
8292 2892 TIP3 H2 28.0045637038 42.4360184314 25.3419762085 SOLV 2691 0.0000000000
|
|
8293 2893 TIP3 OH2 28.9456750433 43.7889566264 33.1713021766 SOLV 2692 0.0000000000
|
|
8294 2893 TIP3 H1 29.0668427323 44.0614505883 34.0982052475 SOLV 2692 0.0000000000
|
|
8295 2893 TIP3 H2 29.1905925412 42.8465321706 33.1985567601 SOLV 2692 0.0000000000
|
|
8296 2894 TIP3 OH2 28.8949873219 39.4216686694 25.0757826071 SOLV 2693 0.0000000000
|
|
8297 2894 TIP3 H1 28.5223284525 40.2342319877 25.4397820791 SOLV 2693 0.0000000000
|
|
8298 2894 TIP3 H2 29.7209667049 39.7845435940 24.6750972537 SOLV 2693 0.0000000000
|
|
8299 2895 TIP3 OH2 24.8563967535 40.9960868757 21.7797596982 SOLV 2694 0.0000000000
|
|
8300 2895 TIP3 H1 24.6680369726 41.6439684499 22.4783697413 SOLV 2694 0.0000000000
|
|
8301 2895 TIP3 H2 25.7486884151 40.6803115128 22.0092276364 SOLV 2694 0.0000000000
|
|
8302 2896 TIP3 OH2 34.4963726563 41.3864626062 34.3397490683 SOLV 2695 0.0000000000
|
|
8303 2896 TIP3 H1 33.6158267426 41.7272213677 34.0635070939 SOLV 2695 0.0000000000
|
|
8304 2896 TIP3 H2 35.0101294434 41.4256398410 33.5264231585 SOLV 2695 0.0000000000
|
|
8305 2897 TIP3 OH2 33.3333374830 45.1739995834 28.1380773197 SOLV 2696 0.0000000000
|
|
8306 2897 TIP3 H1 32.5802738564 44.6495259753 27.8003281162 SOLV 2696 0.0000000000
|
|
8307 2897 TIP3 H2 33.7945132888 44.5366230877 28.7276926465 SOLV 2696 0.0000000000
|
|
8308 2898 TIP3 OH2 20.8281454893 43.8909156324 20.2450095881 SOLV 2697 0.0000000000
|
|
8309 2898 TIP3 H1 21.1433627732 44.7997489763 20.4269668972 SOLV 2697 0.0000000000
|
|
8310 2898 TIP3 H2 20.5227227463 43.9522670093 19.3337455116 SOLV 2697 0.0000000000
|
|
8311 2899 TIP3 OH2 22.1357666125 38.6731769883 28.8798627582 SOLV 2698 0.0000000000
|
|
8312 2899 TIP3 H1 21.9923396306 38.5522553080 27.9142067928 SOLV 2698 0.0000000000
|
|
8313 2899 TIP3 H2 21.7713430711 37.8297261339 29.2285551592 SOLV 2698 0.0000000000
|
|
8314 2900 TIP3 OH2 20.4483206608 48.9355921428 36.5484755696 SOLV 2699 0.0000000000
|
|
8315 2900 TIP3 H1 20.3774364664 47.9659529317 36.6098518187 SOLV 2699 0.0000000000
|
|
8316 2900 TIP3 H2 19.7477393282 49.1637449043 35.8996737734 SOLV 2699 0.0000000000
|
|
8317 2901 TIP3 OH2 24.7753348835 49.1151624127 19.9222378138 SOLV 2700 0.0000000000
|
|
8318 2901 TIP3 H1 25.1059325279 48.5226669560 20.6320343631 SOLV 2700 0.0000000000
|
|
8319 2901 TIP3 H2 25.3855030421 48.8804573495 19.2055831243 SOLV 2700 0.0000000000
|
|
8320 2902 TIP3 OH2 26.3447673873 48.4105467012 36.4890249276 SOLV 2701 0.0000000000
|
|
8321 2902 TIP3 H1 26.0387580304 47.4889368000 36.3987824693 SOLV 2701 0.0000000000
|
|
8322 2902 TIP3 H2 27.2994922543 48.2524870020 36.4857649571 SOLV 2701 0.0000000000
|
|
8323 2903 TIP3 OH2 32.4919454914 49.1504760633 34.1916334672 SOLV 2702 0.0000000000
|
|
8324 2903 TIP3 H1 33.0623617424 49.8997415660 33.9465141345 SOLV 2702 0.0000000000
|
|
8325 2903 TIP3 H2 31.6034745869 49.5650576625 34.2661978692 SOLV 2702 0.0000000000
|
|
8326 2904 TIP3 OH2 21.2188052435 46.1685059695 36.9078557411 SOLV 2703 0.0000000000
|
|
8327 2904 TIP3 H1 22.1513131991 46.2364035151 36.6366423298 SOLV 2703 0.0000000000
|
|
8328 2904 TIP3 H2 21.2629924385 46.3931045836 37.8617302681 SOLV 2703 0.0000000000
|
|
8329 2905 TIP3 OH2 25.5954508843 47.1811312067 21.7469433701 SOLV 2704 0.0000000000
|
|
8330 2905 TIP3 H1 24.9395370037 46.7349550647 22.3085027205 SOLV 2704 0.0000000000
|
|
8331 2905 TIP3 H2 25.9709253694 46.4370985411 21.2436409667 SOLV 2704 0.0000000000
|
|
8332 2906 TIP3 OH2 25.5306312585 45.4674030790 33.9554532431 SOLV 2705 0.0000000000
|
|
8333 2906 TIP3 H1 24.6679133616 45.9333672614 33.8793735017 SOLV 2705 0.0000000000
|
|
8334 2906 TIP3 H2 26.0543975972 45.8266337383 33.1990403675 SOLV 2705 0.0000000000
|
|
8335 2907 TIP3 OH2 26.9797606672 45.7224183079 19.8033401111 SOLV 2706 0.0000000000
|
|
8336 2907 TIP3 H1 26.9691577423 45.6186386652 18.8240464910 SOLV 2706 0.0000000000
|
|
8337 2907 TIP3 H2 27.9361152046 45.8656175312 19.9286303091 SOLV 2706 0.0000000000
|
|
8338 2908 TIP3 OH2 30.0264311832 47.9992220645 36.8253055342 SOLV 2707 0.0000000000
|
|
8339 2908 TIP3 H1 30.6608244928 48.4875038488 37.3830192379 SOLV 2707 0.0000000000
|
|
8340 2908 TIP3 H2 29.7817524387 47.2403273159 37.3818987293 SOLV 2707 0.0000000000
|
|
8341 2909 TIP3 OH2 35.9303939018 48.2838663494 19.6151786911 SOLV 2708 0.0000000000
|
|
8342 2909 TIP3 H1 35.8642409334 48.2099980944 18.6359601639 SOLV 2708 0.0000000000
|
|
8343 2909 TIP3 H2 36.0272859375 49.2410788368 19.7586296395 SOLV 2708 0.0000000000
|
|
8344 2910 TIP3 OH2 25.6658000475 42.8065026753 34.6730780984 SOLV 2709 0.0000000000
|
|
8345 2910 TIP3 H1 25.7344104904 42.1487238985 33.9491638099 SOLV 2709 0.0000000000
|
|
8346 2910 TIP3 H2 25.5995137987 43.6712767127 34.2156652493 SOLV 2709 0.0000000000
|
|
8347 2911 TIP3 OH2 26.1132193763 41.1052688120 32.5562026988 SOLV 2710 0.0000000000
|
|
8348 2911 TIP3 H1 26.7117615399 41.5380382556 31.9167136718 SOLV 2710 0.0000000000
|
|
8349 2911 TIP3 H2 25.2693492437 41.1415102704 32.0499536086 SOLV 2710 0.0000000000
|
|
8350 2912 TIP3 OH2 27.2798101434 46.5929266906 32.3162234565 SOLV 2711 0.0000000000
|
|
8351 2912 TIP3 H1 28.1139547411 47.0694255917 32.2426527673 SOLV 2711 0.0000000000
|
|
8352 2912 TIP3 H2 26.6519698319 47.3009751693 32.0805021612 SOLV 2711 0.0000000000
|
|
8353 2913 TIP3 OH2 31.5675526890 44.0632717765 37.5282785987 SOLV 2712 0.0000000000
|
|
8354 2913 TIP3 H1 31.9525655158 43.2160305204 37.7971157491 SOLV 2712 0.0000000000
|
|
8355 2913 TIP3 H2 32.3237510027 44.5116150165 37.1079769402 SOLV 2712 0.0000000000
|
|
8356 2914 TIP3 OH2 33.2436598012 47.0463808381 35.7867485494 SOLV 2713 0.0000000000
|
|
8357 2914 TIP3 H1 32.9408709770 47.8467631909 35.3038334700 SOLV 2713 0.0000000000
|
|
8358 2914 TIP3 H2 34.2146476800 47.1742556411 35.7587973020 SOLV 2713 0.0000000000
|
|
8359 2915 TIP3 OH2 24.0276628112 43.6181000019 37.1262141800 SOLV 2714 0.0000000000
|
|
8360 2915 TIP3 H1 23.2111120927 43.0789376451 37.0453164837 SOLV 2714 0.0000000000
|
|
8361 2915 TIP3 H2 24.4945844523 43.3796029278 36.3083669911 SOLV 2714 0.0000000000
|
|
8362 2916 TIP3 OH2 26.6201075667 38.3858493079 32.8969552512 SOLV 2715 0.0000000000
|
|
8363 2916 TIP3 H1 26.3194383553 39.3220115610 32.8764834902 SOLV 2715 0.0000000000
|
|
8364 2916 TIP3 H2 25.8945254177 37.9411819024 32.4313645879 SOLV 2715 0.0000000000
|
|
8365 2917 TIP3 OH2 27.7655626269 42.4419560624 36.6246801132 SOLV 2716 0.0000000000
|
|
8366 2917 TIP3 H1 27.3067170813 42.0655168689 37.4072837635 SOLV 2716 0.0000000000
|
|
8367 2917 TIP3 H2 27.0618974249 42.3292862497 35.9495227133 SOLV 2716 0.0000000000
|
|
8368 2918 TIP3 OH2 30.5015057523 41.6977939189 35.6026534030 SOLV 2717 0.0000000000
|
|
8369 2918 TIP3 H1 29.5858654951 41.8062966442 35.9322347176 SOLV 2717 0.0000000000
|
|
8370 2918 TIP3 H2 30.9572733501 41.3469832045 36.3910731456 SOLV 2717 0.0000000000
|
|
8371 2919 TIP3 OH2 32.2097557332 40.7769936344 37.6850083684 SOLV 2718 0.0000000000
|
|
8372 2919 TIP3 H1 32.2914990207 39.8019323478 37.5343309733 SOLV 2718 0.0000000000
|
|
8373 2919 TIP3 H2 32.0571514392 40.8211664285 38.6487096285 SOLV 2718 0.0000000000
|
|
8374 2920 TIP3 OH2 21.8735265866 41.7831237978 37.0048446112 SOLV 2719 0.0000000000
|
|
8375 2920 TIP3 H1 22.0751183545 40.9899042949 36.4583059730 SOLV 2719 0.0000000000
|
|
8376 2920 TIP3 H2 21.9103756072 41.4234721997 37.9238551506 SOLV 2719 0.0000000000
|
|
8377 2921 TIP3 OH2 26.9873095407 38.0855412019 35.6607300009 SOLV 2720 0.0000000000
|
|
8378 2921 TIP3 H1 27.4198528500 37.2063290250 35.6535581041 SOLV 2720 0.0000000000
|
|
8379 2921 TIP3 H2 26.8028972584 38.1704466634 34.6996827847 SOLV 2720 0.0000000000
|
|
8380 2922 TIP3 OH2 27.2408361253 39.3281435985 38.0824799307 SOLV 2721 0.0000000000
|
|
8381 2922 TIP3 H1 27.2257928515 38.8346823015 37.2343080659 SOLV 2721 0.0000000000
|
|
8382 2922 TIP3 H2 26.5861989530 40.0216089958 37.8668843226 SOLV 2721 0.0000000000
|
|
8383 2923 TIP3 OH2 36.6606658066 48.6356151598 23.0581539623 SOLV 2722 0.0000000000
|
|
8384 2923 TIP3 H1 37.1454429152 49.4623287161 23.1694396319 SOLV 2722 0.0000000000
|
|
8385 2923 TIP3 H2 36.6873286759 48.2515016383 23.9522402046 SOLV 2722 0.0000000000
|
|
8386 2924 TIP3 OH2 36.8911593676 47.3425066577 25.6908023838 SOLV 2723 0.0000000000
|
|
8387 2924 TIP3 H1 36.0644330634 46.8216693305 25.7978901017 SOLV 2723 0.0000000000
|
|
8388 2924 TIP3 H2 37.3574144312 47.1007187357 26.5101710198 SOLV 2723 0.0000000000
|
|
8389 2925 TIP3 OH2 36.7022654062 49.7043698926 30.1858453804 SOLV 2724 0.0000000000
|
|
8390 2925 TIP3 H1 37.2473208841 49.3541703192 29.4662240297 SOLV 2724 0.0000000000
|
|
8391 2925 TIP3 H2 36.2412694073 50.4603352064 29.7799320454 SOLV 2724 0.0000000000
|
|
8392 2926 TIP3 OH2 37.2762457166 46.6018806942 21.2718403161 SOLV 2725 0.0000000000
|
|
8393 2926 TIP3 H1 36.6995296387 46.9580865895 20.5623110956 SOLV 2725 0.0000000000
|
|
8394 2926 TIP3 H2 37.1072065058 47.2888974384 21.9544123444 SOLV 2725 0.0000000000
|
|
8395 2927 TIP3 OH2 34.7813920250 45.7204045225 25.9578541208 SOLV 2726 0.0000000000
|
|
8396 2927 TIP3 H1 34.7486673964 44.8033630759 25.6204998272 SOLV 2726 0.0000000000
|
|
8397 2927 TIP3 H2 34.4015000151 45.6172508440 26.8540014161 SOLV 2726 0.0000000000
|
|
8398 2928 TIP3 OH2 19.7063599495 47.4853017491 29.8185952929 SOLV 2727 0.0000000000
|
|
8399 2928 TIP3 H1 19.7227170402 47.1334946439 28.9044290866 SOLV 2727 0.0000000000
|
|
8400 2928 TIP3 H2 20.5480966412 47.1454488267 30.1869726673 SOLV 2727 0.0000000000
|
|
8401 2929 TIP3 OH2 35.9337007757 47.4767202715 35.9277971728 SOLV 2728 0.0000000000
|
|
8402 2929 TIP3 H1 36.4889057619 46.6760575059 35.8744246366 SOLV 2728 0.0000000000
|
|
8403 2929 TIP3 H2 36.5242902696 48.1358107361 35.5023549504 SOLV 2728 0.0000000000
|
|
8404 2930 TIP3 OH2 37.1506073542 45.0383479903 35.3618074305 SOLV 2729 0.0000000000
|
|
8405 2930 TIP3 H1 36.2383769233 44.7556968215 35.5747894025 SOLV 2729 0.0000000000
|
|
8406 2930 TIP3 H2 37.6642321602 44.2322542154 35.5923170685 SOLV 2729 0.0000000000
|
|
8407 2931 TIP3 OH2 34.3957095380 41.8811839255 19.7092536892 SOLV 2730 0.0000000000
|
|
8408 2931 TIP3 H1 35.0282842436 41.2871370422 20.1629886920 SOLV 2730 0.0000000000
|
|
8409 2931 TIP3 H2 33.6295871895 41.2912112620 19.5598926364 SOLV 2730 0.0000000000
|
|
8410 2932 TIP3 OH2 35.0665937202 43.1885638250 24.5034452110 SOLV 2731 0.0000000000
|
|
8411 2932 TIP3 H1 35.8271122852 42.7346912320 24.8781748679 SOLV 2731 0.0000000000
|
|
8412 2932 TIP3 H2 35.4641799388 43.6183063808 23.7252425266 SOLV 2731 0.0000000000
|
|
8413 2933 TIP3 OH2 34.7695236243 43.3752675324 29.7898062818 SOLV 2732 0.0000000000
|
|
8414 2933 TIP3 H1 35.6958377042 43.3567639352 29.4818035321 SOLV 2732 0.0000000000
|
|
8415 2933 TIP3 H2 34.9235041260 43.6087472988 30.7316470701 SOLV 2732 0.0000000000
|
|
8416 2934 TIP3 OH2 35.3181220803 44.2125633267 32.3096069912 SOLV 2733 0.0000000000
|
|
8417 2934 TIP3 H1 34.4479529824 44.4079178149 32.7129072638 SOLV 2733 0.0000000000
|
|
8418 2934 TIP3 H2 35.7147034948 45.1062704211 32.1953877848 SOLV 2733 0.0000000000
|
|
8419 2935 TIP3 OH2 19.5690232089 42.5512178692 35.5760476072 SOLV 2734 0.0000000000
|
|
8420 2935 TIP3 H1 20.3845305447 42.2740932790 36.0496021190 SOLV 2734 0.0000000000
|
|
8421 2935 TIP3 H2 18.9977291808 41.7659774254 35.6963559760 SOLV 2734 0.0000000000
|
|
8422 2936 TIP3 OH2 37.6607468876 38.5465044932 37.6578228953 SOLV 2735 0.0000000000
|
|
8423 2936 TIP3 H1 38.3137194604 37.9878409273 37.1885852636 SOLV 2735 0.0000000000
|
|
8424 2936 TIP3 H2 37.5508883801 39.2439347209 36.9732667652 SOLV 2735 0.0000000000
|
|
8425 2937 TIP3 OH2 20.7639987468 40.9788563720 28.9616583645 SOLV 2736 0.0000000000
|
|
8426 2937 TIP3 H1 21.2312809525 40.1162357425 29.0189445897 SOLV 2736 0.0000000000
|
|
8427 2937 TIP3 H2 21.5084296172 41.5760890196 28.8443855722 SOLV 2736 0.0000000000
|
|
8428 2938 TIP3 OH2 18.9206719467 43.9431622240 29.5726106212 SOLV 2737 0.0000000000
|
|
8429 2938 TIP3 H1 19.5679251350 43.7736389241 28.8621873206 SOLV 2737 0.0000000000
|
|
8430 2938 TIP3 H2 19.4002450325 44.5834421020 30.1073695894 SOLV 2737 0.0000000000
|
|
8431 2939 TIP3 OH2 37.0631417360 40.1948222456 35.5966883674 SOLV 2738 0.0000000000
|
|
8432 2939 TIP3 H1 36.2378041435 40.6900253649 35.7618822629 SOLV 2738 0.0000000000
|
|
8433 2939 TIP3 H2 36.7352442099 39.5968770113 34.8868686862 SOLV 2738 0.0000000000
|
|
8434 2940 TIP3 OH2 36.6289249113 40.4307813368 20.7977475987 SOLV 2739 0.0000000000
|
|
8435 2940 TIP3 H1 36.8889319240 39.8956803006 20.0031183434 SOLV 2739 0.0000000000
|
|
8436 2940 TIP3 H2 37.4712220509 40.9049579687 20.9568396996 SOLV 2739 0.0000000000
|
|
8437 2941 TIP3 OH2 19.2743763712 40.2232140004 23.7422939413 SOLV 2740 0.0000000000
|
|
8438 2941 TIP3 H1 18.3022801064 40.1901233430 23.7706324219 SOLV 2740 0.0000000000
|
|
8439 2941 TIP3 H2 19.4025892939 40.8783449774 23.0399237890 SOLV 2740 0.0000000000
|
|
8440 2942 TIP3 OH2 19.4324744406 39.0309376653 32.1635477977 SOLV 2741 0.0000000000
|
|
8441 2942 TIP3 H1 18.6799276973 38.6831587481 32.6708774852 SOLV 2741 0.0000000000
|
|
8442 2942 TIP3 H2 19.0300426689 39.5838780285 31.4728444957 SOLV 2741 0.0000000000
|
|
8443 2943 TIP3 OH2 36.1162093149 38.3142007091 33.8580140774 SOLV 2742 0.0000000000
|
|
8444 2943 TIP3 H1 35.2724269249 38.5228609307 33.4352736541 SOLV 2742 0.0000000000
|
|
8445 2943 TIP3 H2 36.3210286725 37.4292269728 33.4717508151 SOLV 2742 0.0000000000
|
|
8446 2944 TIP3 OH2 29.0608618204 39.9453866510 28.5600207833 SOLV 2743 0.0000000000
|
|
8447 2944 TIP3 H1 28.3638380517 39.2816425143 28.7517342871 SOLV 2743 0.0000000000
|
|
8448 2944 TIP3 H2 29.7048840151 39.3915571735 28.1106759463 SOLV 2743 0.0000000000
|
|
8449 2945 TIP3 OH2 34.5765597798 38.1646085785 28.0636546926 SOLV 2744 0.0000000000
|
|
8450 2945 TIP3 H1 34.6448812720 38.9309633688 28.6464078474 SOLV 2744 0.0000000000
|
|
8451 2945 TIP3 H2 33.6216257842 38.1800110722 27.7923815931 SOLV 2744 0.0000000000
|
|
8452 2946 TIP3 OH2 21.6124081369 38.5693503572 26.1899836762 SOLV 2745 0.0000000000
|
|
8453 2946 TIP3 H1 20.7132626249 38.4546175775 25.8336055233 SOLV 2745 0.0000000000
|
|
8454 2946 TIP3 H2 21.9261170645 37.6364999009 26.0921341202 SOLV 2745 0.0000000000
|
|
8455 2947 TIP3 OH2 20.6251038365 38.4821442879 21.5799525337 SOLV 2746 0.0000000000
|
|
8456 2947 TIP3 H1 21.2884865485 39.0042730053 21.1012816357 SOLV 2746 0.0000000000
|
|
8457 2947 TIP3 H2 20.4208201927 39.0715902144 22.3378691685 SOLV 2746 0.0000000000
|
|
8458 2948 TIP3 OH2 26.2100320096 38.8757105640 25.6674214574 SOLV 2747 0.0000000000
|
|
8459 2948 TIP3 H1 27.1192811675 38.8714996177 25.3293424090 SOLV 2747 0.0000000000
|
|
8460 2948 TIP3 H2 26.3478032524 38.6703304021 26.5871510443 SOLV 2747 0.0000000000
|
|
8461 2949 TIP3 OH2 32.0758762348 37.9918788814 26.8408462229 SOLV 2748 0.0000000000
|
|
8462 2949 TIP3 H1 31.4985963418 38.0986242851 26.0691994362 SOLV 2748 0.0000000000
|
|
8463 2949 TIP3 H2 31.6101651561 37.2754945696 27.3477609526 SOLV 2748 0.0000000000
|
|
8464 2950 TIP3 OH2 33.5250837386 38.7801540397 23.8257953908 SOLV 2749 0.0000000000
|
|
8465 2950 TIP3 H1 32.7457184377 39.3702477062 23.9204735658 SOLV 2749 0.0000000000
|
|
8466 2950 TIP3 H2 33.0793356328 37.9387876998 23.6320180992 SOLV 2749 0.0000000000
|
|
8467 2951 TIP3 OH2 22.4538034779 40.1749156366 20.4731152061 SOLV 2750 0.0000000000
|
|
8468 2951 TIP3 H1 22.8387965754 39.6106559770 19.7654968123 SOLV 2750 0.0000000000
|
|
8469 2951 TIP3 H2 23.2710400196 40.3463012567 20.9700400511 SOLV 2750 0.0000000000
|
|
8470 2952 TIP3 OH2 27.8807871785 40.6156479041 22.4521131083 SOLV 2751 0.0000000000
|
|
8471 2952 TIP3 H1 27.4208737673 39.9498791678 22.9779290474 SOLV 2751 0.0000000000
|
|
8472 2952 TIP3 H2 28.0501598869 41.3216132906 23.1178020246 SOLV 2751 0.0000000000
|
|
8473 2953 TIP3 OH2 21.9438157347 39.5615794084 35.2788571283 SOLV 2752 0.0000000000
|
|
8474 2953 TIP3 H1 21.4399617811 38.7687857843 35.5899586490 SOLV 2752 0.0000000000
|
|
8475 2953 TIP3 H2 22.8297798660 39.3177983014 35.5954276552 SOLV 2752 0.0000000000
|
|
8476 2954 TIP3 OH2 23.6309153019 38.1022255350 37.4490243933 SOLV 2753 0.0000000000
|
|
8477 2954 TIP3 H1 24.2804315222 37.3680887322 37.4190168153 SOLV 2753 0.0000000000
|
|
8478 2954 TIP3 H2 22.8477275589 37.5738205411 37.2018769407 SOLV 2753 0.0000000000
|
|
8479 2955 TIP3 OH2 32.4874839952 38.1033765902 37.3723011452 SOLV 2754 0.0000000000
|
|
8480 2955 TIP3 H1 32.1523508312 37.4990541194 38.0684556335 SOLV 2754 0.0000000000
|
|
8481 2955 TIP3 H2 33.3178346277 37.6591025377 37.1380181165 SOLV 2754 0.0000000000
|
|
8482 2956 TIP3 OH2 49.0101947452 48.0521131141 26.1361185752 SOLV 2755 0.0000000000
|
|
8483 2956 TIP3 H1 49.2539009937 48.9260989173 25.8186895702 SOLV 2755 0.0000000000
|
|
8484 2956 TIP3 H2 48.7136434952 47.6170589498 25.3141736158 SOLV 2755 0.0000000000
|
|
8485 2957 TIP3 OH2 41.0172305291 46.5263638444 30.9160657497 SOLV 2756 0.0000000000
|
|
8486 2957 TIP3 H1 40.8942241964 45.6288442466 31.2598466725 SOLV 2756 0.0000000000
|
|
8487 2957 TIP3 H2 41.2433447897 46.9835374438 31.7572398580 SOLV 2756 0.0000000000
|
|
8488 2958 TIP3 OH2 38.5368739878 45.3238833012 24.8958437409 SOLV 2757 0.0000000000
|
|
8489 2958 TIP3 H1 37.9232183252 46.0127571617 24.6101958323 SOLV 2757 0.0000000000
|
|
8490 2958 TIP3 H2 38.3922115013 44.5758688893 24.2928190490 SOLV 2757 0.0000000000
|
|
8491 2959 TIP3 OH2 39.1980435185 46.5337363480 27.2913183505 SOLV 2758 0.0000000000
|
|
8492 2959 TIP3 H1 39.1143268382 46.1446174823 26.3986271975 SOLV 2758 0.0000000000
|
|
8493 2959 TIP3 H2 40.1257422132 46.8136188343 27.2993605220 SOLV 2758 0.0000000000
|
|
8494 2960 TIP3 OH2 47.0632875763 50.1121321162 29.7348362229 SOLV 2759 0.0000000000
|
|
8495 2960 TIP3 H1 47.5074983811 49.2852249229 29.4639549230 SOLV 2759 0.0000000000
|
|
8496 2960 TIP3 H2 47.8549938872 50.7011559286 29.7739269159 SOLV 2759 0.0000000000
|
|
8497 2961 TIP3 OH2 45.4629962151 45.1433247339 26.8011118031 SOLV 2760 0.0000000000
|
|
8498 2961 TIP3 H1 46.1783474089 45.0338466234 27.4732081921 SOLV 2760 0.0000000000
|
|
8499 2961 TIP3 H2 46.0016853390 45.3175197305 26.0215112119 SOLV 2760 0.0000000000
|
|
8500 2962 TIP3 OH2 42.4201638040 40.9760988021 31.6052006429 SOLV 2761 0.0000000000
|
|
8501 2962 TIP3 H1 42.0413092391 41.4195452342 30.8376859430 SOLV 2761 0.0000000000
|
|
8502 2962 TIP3 H2 41.6575398768 41.0169049780 32.2361080761 SOLV 2761 0.0000000000
|
|
8503 2963 TIP3 OH2 45.0823021767 48.5485693445 31.0699252305 SOLV 2762 0.0000000000
|
|
8504 2963 TIP3 H1 44.4622638939 49.1583884089 31.4883068904 SOLV 2762 0.0000000000
|
|
8505 2963 TIP3 H2 45.5722922002 49.1675901480 30.5033160552 SOLV 2762 0.0000000000
|
|
8506 2964 TIP3 OH2 45.8778035181 38.2442009663 28.8871785940 SOLV 2763 0.0000000000
|
|
8507 2964 TIP3 H1 45.2567426869 37.5214926084 29.1340245565 SOLV 2763 0.0000000000
|
|
8508 2964 TIP3 H2 45.2407069874 38.9743779381 29.0414737592 SOLV 2763 0.0000000000
|
|
8509 2965 TIP3 OH2 48.7974427926 47.3345660517 23.3812073147 SOLV 2764 0.0000000000
|
|
8510 2965 TIP3 H1 47.9754532023 47.8229653670 23.1381190562 SOLV 2764 0.0000000000
|
|
8511 2965 TIP3 H2 49.4668349987 47.8478751744 22.9080655069 SOLV 2764 0.0000000000
|
|
8512 2966 TIP3 OH2 48.4280404346 45.5251682024 20.0070806987 SOLV 2765 0.0000000000
|
|
8513 2966 TIP3 H1 48.4623454110 45.5429648179 20.9788236746 SOLV 2765 0.0000000000
|
|
8514 2966 TIP3 H2 48.9949640939 44.7531170786 19.8637050970 SOLV 2765 0.0000000000
|
|
8515 2967 TIP3 OH2 43.1433908106 47.0555882055 26.3734634445 SOLV 2766 0.0000000000
|
|
8516 2967 TIP3 H1 42.6358013708 47.0492711860 25.5237673510 SOLV 2766 0.0000000000
|
|
8517 2967 TIP3 H2 43.8725743369 46.4677033458 26.1237449063 SOLV 2766 0.0000000000
|
|
8518 2968 TIP3 OH2 43.9303553469 46.4453524350 29.6664589103 SOLV 2767 0.0000000000
|
|
8519 2968 TIP3 H1 44.3829239438 46.5841670613 28.8300504975 SOLV 2767 0.0000000000
|
|
8520 2968 TIP3 H2 44.2472399759 47.1965223499 30.1978540728 SOLV 2767 0.0000000000
|
|
8521 2969 TIP3 OH2 41.6647593018 47.1741474336 33.4693344653 SOLV 2768 0.0000000000
|
|
8522 2969 TIP3 H1 41.8636825220 47.7751351682 34.2149767980 SOLV 2768 0.0000000000
|
|
8523 2969 TIP3 H2 40.7686724800 46.8968854758 33.7190642399 SOLV 2768 0.0000000000
|
|
8524 2970 TIP3 OH2 42.2635087555 46.6618539282 23.9042640516 SOLV 2769 0.0000000000
|
|
8525 2970 TIP3 H1 42.0851310012 47.3905371414 23.2744370107 SOLV 2769 0.0000000000
|
|
8526 2970 TIP3 H2 41.8959904332 45.9153080540 23.4088078014 SOLV 2769 0.0000000000
|
|
8527 2971 TIP3 OH2 38.3154606323 49.0759882300 32.4877539267 SOLV 2770 0.0000000000
|
|
8528 2971 TIP3 H1 37.8438047560 49.0123583100 31.6458160818 SOLV 2770 0.0000000000
|
|
8529 2971 TIP3 H2 38.8864736870 48.2989968547 32.4390060302 SOLV 2770 0.0000000000
|
|
8530 2972 TIP3 OH2 43.7732949985 39.8193509066 29.4716045615 SOLV 2771 0.0000000000
|
|
8531 2972 TIP3 H1 43.5189870884 38.8671678046 29.4351323428 SOLV 2771 0.0000000000
|
|
8532 2972 TIP3 H2 43.2122667210 40.0222264169 30.2421862450 SOLV 2771 0.0000000000
|
|
8533 2973 TIP3 OH2 48.1862015745 38.5095204858 32.8362161036 SOLV 2772 0.0000000000
|
|
8534 2973 TIP3 H1 48.4282339283 37.9932448305 33.6408209883 SOLV 2772 0.0000000000
|
|
8535 2973 TIP3 H2 47.2037075169 38.3806242000 32.7894950485 SOLV 2772 0.0000000000
|
|
8536 2974 TIP3 OH2 47.8935719676 40.9622075830 20.3388275978 SOLV 2773 0.0000000000
|
|
8537 2974 TIP3 H1 47.3659751333 41.1957637825 21.1290204127 SOLV 2773 0.0000000000
|
|
8538 2974 TIP3 H2 47.2657931321 40.3551334944 19.9085793740 SOLV 2773 0.0000000000
|
|
8539 2975 TIP3 OH2 43.4584316016 43.9040645389 30.5936306961 SOLV 2774 0.0000000000
|
|
8540 2975 TIP3 H1 42.5816632631 43.9070240128 31.0249243296 SOLV 2774 0.0000000000
|
|
8541 2975 TIP3 H2 43.5795071820 44.8709911611 30.5198378256 SOLV 2774 0.0000000000
|
|
8542 2976 TIP3 OH2 48.1440830950 44.6606349243 24.0781832764 SOLV 2775 0.0000000000
|
|
8543 2976 TIP3 H1 48.2309756338 45.5952993793 23.8182744523 SOLV 2775 0.0000000000
|
|
8544 2976 TIP3 H2 49.0698994748 44.4150028447 24.2918949076 SOLV 2775 0.0000000000
|
|
8545 2977 TIP3 OH2 48.4547971424 44.5023561030 35.5179183589 SOLV 2776 0.0000000000
|
|
8546 2977 TIP3 H1 47.9980978483 43.7753702271 35.9779667621 SOLV 2776 0.0000000000
|
|
8547 2977 TIP3 H2 49.2702885200 44.5887476574 36.0453759366 SOLV 2776 0.0000000000
|
|
8548 2978 TIP3 OH2 41.3058175601 44.0117918445 32.0826460255 SOLV 2777 0.0000000000
|
|
8549 2978 TIP3 H1 41.7880356308 44.3969746148 32.8398938182 SOLV 2777 0.0000000000
|
|
8550 2978 TIP3 H2 40.8435324146 43.2635449065 32.5171411982 SOLV 2777 0.0000000000
|
|
8551 2979 TIP3 OH2 44.6653230522 41.6044899843 19.4207798625 SOLV 2778 0.0000000000
|
|
8552 2979 TIP3 H1 44.2222502550 41.2915782474 20.2362167998 SOLV 2778 0.0000000000
|
|
8553 2979 TIP3 H2 44.0407094343 42.2928147412 19.1413487339 SOLV 2778 0.0000000000
|
|
8554 2980 TIP3 OH2 37.5211519935 40.8349182214 26.4971391025 SOLV 2779 0.0000000000
|
|
8555 2980 TIP3 H1 38.1656596844 41.1868537365 27.1354250651 SOLV 2779 0.0000000000
|
|
8556 2980 TIP3 H2 38.0960799780 40.3557905590 25.8719753725 SOLV 2779 0.0000000000
|
|
8557 2981 TIP3 OH2 38.8909735599 41.9526468706 21.5957198705 SOLV 2780 0.0000000000
|
|
8558 2981 TIP3 H1 39.3171250693 42.3452031439 20.8002418709 SOLV 2780 0.0000000000
|
|
8559 2981 TIP3 H2 38.7791669562 42.7648603202 22.1098267271 SOLV 2780 0.0000000000
|
|
8560 2982 TIP3 OH2 45.8304262089 41.5465587614 26.9079226078 SOLV 2781 0.0000000000
|
|
8561 2982 TIP3 H1 45.4207572661 40.6795941589 26.8471423797 SOLV 2781 0.0000000000
|
|
8562 2982 TIP3 H2 46.7527424704 41.2866055917 27.1269257381 SOLV 2781 0.0000000000
|
|
8563 2983 TIP3 OH2 43.7148964844 43.0415508751 23.1852202043 SOLV 2782 0.0000000000
|
|
8564 2983 TIP3 H1 44.5706886171 43.2193978294 23.6152493921 SOLV 2782 0.0000000000
|
|
8565 2983 TIP3 H2 43.6719250174 43.7403819748 22.4908340192 SOLV 2782 0.0000000000
|
|
8566 2984 TIP3 OH2 43.7826286734 44.5416210156 20.9697743051 SOLV 2783 0.0000000000
|
|
8567 2984 TIP3 H1 43.1911978739 44.1970736281 20.2751710289 SOLV 2783 0.0000000000
|
|
8568 2984 TIP3 H2 44.5273134753 44.8350809357 20.3994442379 SOLV 2783 0.0000000000
|
|
8569 2985 TIP3 OH2 41.7875653448 48.7162873940 35.7731108258 SOLV 2784 0.0000000000
|
|
8570 2985 TIP3 H1 42.4795622981 49.1503637484 36.3132766069 SOLV 2784 0.0000000000
|
|
8571 2985 TIP3 H2 40.9758077395 48.8829419287 36.2960767618 SOLV 2784 0.0000000000
|
|
8572 2986 TIP3 OH2 47.1515216507 44.3013029421 28.7367179086 SOLV 2785 0.0000000000
|
|
8573 2986 TIP3 H1 48.1059236793 44.1355814572 28.8648810454 SOLV 2785 0.0000000000
|
|
8574 2986 TIP3 H2 46.7960586064 43.7620847120 29.4757989785 SOLV 2785 0.0000000000
|
|
8575 2987 TIP3 OH2 42.1456384050 40.6010378516 25.7526284318 SOLV 2786 0.0000000000
|
|
8576 2987 TIP3 H1 41.6605726122 39.7586325288 25.8527659102 SOLV 2786 0.0000000000
|
|
8577 2987 TIP3 H2 42.6429202774 40.4587433884 24.9447449881 SOLV 2786 0.0000000000
|
|
8578 2988 TIP3 OH2 45.9132945905 42.9523917425 30.9829577772 SOLV 2787 0.0000000000
|
|
8579 2988 TIP3 H1 45.0438466694 43.3752213530 31.1282177204 SOLV 2787 0.0000000000
|
|
8580 2988 TIP3 H2 46.4486167111 43.3923186890 31.6837762894 SOLV 2787 0.0000000000
|
|
8581 2989 TIP3 OH2 46.5321549809 48.5448921439 22.8258259266 SOLV 2788 0.0000000000
|
|
8582 2989 TIP3 H1 45.8281867381 48.1535740824 22.2724701644 SOLV 2788 0.0000000000
|
|
8583 2989 TIP3 H2 46.0099357478 48.8405894924 23.6027300927 SOLV 2788 0.0000000000
|
|
8584 2990 TIP3 OH2 47.7495840267 49.1079629811 35.0775436124 SOLV 2789 0.0000000000
|
|
8585 2990 TIP3 H1 48.3989874107 48.6976332955 35.6778634495 SOLV 2789 0.0000000000
|
|
8586 2990 TIP3 H2 48.2839880589 49.3077390479 34.2929566131 SOLV 2789 0.0000000000
|
|
8587 2991 TIP3 OH2 41.6031876550 47.9629525842 28.4743612399 SOLV 2790 0.0000000000
|
|
8588 2991 TIP3 H1 42.3388279791 47.6507680041 27.9084901668 SOLV 2790 0.0000000000
|
|
8589 2991 TIP3 H2 41.5894261249 47.3268163078 29.2228293129 SOLV 2790 0.0000000000
|
|
8590 2992 TIP3 OH2 39.0325685306 46.3835614301 33.7924814120 SOLV 2791 0.0000000000
|
|
8591 2992 TIP3 H1 38.6638966150 46.0445258832 34.6361422362 SOLV 2791 0.0000000000
|
|
8592 2992 TIP3 H2 38.2913152350 46.2015564363 33.1867435699 SOLV 2791 0.0000000000
|
|
8593 2993 TIP3 OH2 45.9753792575 46.1787730048 35.6983849812 SOLV 2792 0.0000000000
|
|
8594 2993 TIP3 H1 45.3781487941 45.6403174808 35.1521969345 SOLV 2792 0.0000000000
|
|
8595 2993 TIP3 H2 46.7980916472 45.6656217136 35.6060070426 SOLV 2792 0.0000000000
|
|
8596 2994 TIP3 OH2 39.9634675087 46.6407409866 20.6525576945 SOLV 2793 0.0000000000
|
|
8597 2994 TIP3 H1 40.4058956178 47.2350468977 21.2978940827 SOLV 2793 0.0000000000
|
|
8598 2994 TIP3 H2 39.0110125379 46.7190023168 20.8484358577 SOLV 2793 0.0000000000
|
|
8599 2995 TIP3 OH2 45.0308781533 48.8342255878 25.1287473471 SOLV 2794 0.0000000000
|
|
8600 2995 TIP3 H1 44.9402067280 49.8121671877 25.1621410892 SOLV 2794 0.0000000000
|
|
8601 2995 TIP3 H2 44.5716880479 48.5944632667 25.9512524110 SOLV 2794 0.0000000000
|
|
8602 2996 TIP3 OH2 40.2865045065 41.5895908857 33.2035533547 SOLV 2795 0.0000000000
|
|
8603 2996 TIP3 H1 39.3301092393 41.7139081282 33.1004825152 SOLV 2795 0.0000000000
|
|
8604 2996 TIP3 H2 40.3219454890 41.0271960375 33.9886935113 SOLV 2795 0.0000000000
|
|
8605 2997 TIP3 OH2 41.4318080045 48.4656161966 21.9870742404 SOLV 2796 0.0000000000
|
|
8606 2997 TIP3 H1 40.8056361221 49.2025446465 22.1558534367 SOLV 2796 0.0000000000
|
|
8607 2997 TIP3 H2 42.1128772046 48.9513228768 21.4923518212 SOLV 2796 0.0000000000
|
|
8608 2998 TIP3 OH2 48.3846387012 41.2951356604 33.3291400964 SOLV 2797 0.0000000000
|
|
8609 2998 TIP3 H1 48.8251118192 41.1636438799 34.1983661981 SOLV 2797 0.0000000000
|
|
8610 2998 TIP3 H2 48.3081238815 40.3869775205 32.9925224366 SOLV 2797 0.0000000000
|
|
8611 2999 TIP3 OH2 49.1102818512 41.3632672765 23.8923663071 SOLV 2798 0.0000000000
|
|
8612 2999 TIP3 H1 49.2508126060 41.7991677452 23.0359607421 SOLV 2798 0.0000000000
|
|
8613 2999 TIP3 H2 49.6196817968 41.9241605346 24.5048816812 SOLV 2798 0.0000000000
|
|
8614 3000 TIP3 OH2 46.2395967917 42.7775578477 24.4505085089 SOLV 2799 0.0000000000
|
|
8615 3000 TIP3 H1 46.8323517637 43.5631596521 24.3651416920 SOLV 2799 0.0000000000
|
|
8616 3000 TIP3 H2 46.2060774739 42.5850240988 25.4122614703 SOLV 2799 0.0000000000
|
|
8617 3001 TIP3 OH2 47.4854446053 43.8606996277 33.0257720344 SOLV 2800 0.0000000000
|
|
8618 3001 TIP3 H1 47.8608077877 44.2267246997 33.8568418589 SOLV 2800 0.0000000000
|
|
8619 3001 TIP3 H2 47.9451714903 42.9956029066 32.9914851516 SOLV 2800 0.0000000000
|
|
8620 3002 TIP3 OH2 47.4814820081 39.3694441138 24.8054482559 SOLV 2801 0.0000000000
|
|
8621 3002 TIP3 H1 47.8071955779 39.4959634762 25.7265168586 SOLV 2801 0.0000000000
|
|
8622 3002 TIP3 H2 48.0252179699 40.0798485210 24.3885454250 SOLV 2801 0.0000000000
|
|
8623 3003 TIP3 OH2 43.5504678814 40.8166729390 21.7140976925 SOLV 2802 0.0000000000
|
|
8624 3003 TIP3 H1 43.3842894854 41.5885813933 22.3123156983 SOLV 2802 0.0000000000
|
|
8625 3003 TIP3 H2 44.4778911102 40.6207749245 21.9756844610 SOLV 2802 0.0000000000
|
|
8626 3004 TIP3 OH2 39.8108668737 43.9820904394 19.9031179686 SOLV 2803 0.0000000000
|
|
8627 3004 TIP3 H1 40.0203838227 44.8928945921 20.1930871505 SOLV 2803 0.0000000000
|
|
8628 3004 TIP3 H2 39.7004049603 44.1002040168 18.9439295895 SOLV 2803 0.0000000000
|
|
8629 3005 TIP3 OH2 40.4936705571 38.9429673887 28.6838450397 SOLV 2804 0.0000000000
|
|
8630 3005 TIP3 H1 40.7583484649 38.6940586531 27.7711490857 SOLV 2804 0.0000000000
|
|
8631 3005 TIP3 H2 40.5718014812 38.0784561502 29.1274415525 SOLV 2804 0.0000000000
|
|
8632 3006 TIP3 OH2 39.2876854489 48.9110549333 36.7342204007 SOLV 2805 0.0000000000
|
|
8633 3006 TIP3 H1 39.3384517114 47.9365173671 36.6370467986 SOLV 2805 0.0000000000
|
|
8634 3006 TIP3 H2 38.6433167649 49.1599438145 36.0443252927 SOLV 2805 0.0000000000
|
|
8635 3007 TIP3 OH2 43.7214886891 49.3870433589 19.8145414226 SOLV 2806 0.0000000000
|
|
8636 3007 TIP3 H1 44.0479764586 48.8107854057 20.5424805746 SOLV 2806 0.0000000000
|
|
8637 3007 TIP3 H2 44.1485301823 48.9470989337 19.0567319371 SOLV 2806 0.0000000000
|
|
8638 3008 TIP3 OH2 45.1749630218 48.3203030370 37.0623658196 SOLV 2807 0.0000000000
|
|
8639 3008 TIP3 H1 45.4598231876 49.0771078334 36.5165598210 SOLV 2807 0.0000000000
|
|
8640 3008 TIP3 H2 45.4614487174 47.5971942950 36.4739802150 SOLV 2807 0.0000000000
|
|
8641 3009 TIP3 OH2 40.0600776928 46.1789219838 36.8288337005 SOLV 2808 0.0000000000
|
|
8642 3009 TIP3 H1 40.9635138749 46.3660714716 36.5202556077 SOLV 2808 0.0000000000
|
|
8643 3009 TIP3 H2 40.1204158522 46.3144505968 37.8087918408 SOLV 2808 0.0000000000
|
|
8644 3010 TIP3 OH2 44.4867656144 47.3786201081 21.3931180060 SOLV 2809 0.0000000000
|
|
8645 3010 TIP3 H1 44.0474392852 46.6998351513 21.9356511794 SOLV 2809 0.0000000000
|
|
8646 3010 TIP3 H2 44.9294515641 46.8180305180 20.7101910339 SOLV 2809 0.0000000000
|
|
8647 3011 TIP3 OH2 43.3839677083 45.1588327640 33.4688588076 SOLV 2810 0.0000000000
|
|
8648 3011 TIP3 H1 42.8475215569 45.9852180989 33.4049030965 SOLV 2810 0.0000000000
|
|
8649 3011 TIP3 H2 44.2480268092 45.4956684805 33.1355272415 SOLV 2810 0.0000000000
|
|
8650 3012 TIP3 OH2 45.8146902751 45.7773904475 19.6414850031 SOLV 2811 0.0000000000
|
|
8651 3012 TIP3 H1 45.7679621099 45.7819704067 18.6569046885 SOLV 2811 0.0000000000
|
|
8652 3012 TIP3 H2 46.7836150058 45.6907858230 19.7443429596 SOLV 2811 0.0000000000
|
|
8653 3013 TIP3 OH2 49.0888998402 47.8690677424 37.1582088318 SOLV 2812 0.0000000000
|
|
8654 3013 TIP3 H1 49.4084552934 47.2893643529 37.8750651374 SOLV 2812 0.0000000000
|
|
8655 3013 TIP3 H2 48.2345114016 47.4481619013 37.0266917809 SOLV 2812 0.0000000000
|
|
8656 3014 TIP3 OH2 44.3613649300 42.9265361099 34.6731197500 SOLV 2813 0.0000000000
|
|
8657 3014 TIP3 H1 44.5364043274 42.2391670837 33.9936575466 SOLV 2813 0.0000000000
|
|
8658 3014 TIP3 H2 43.9880879403 43.6726779116 34.1486190346 SOLV 2813 0.0000000000
|
|
8659 3015 TIP3 OH2 44.8693558975 41.0131119059 32.6285386678 SOLV 2814 0.0000000000
|
|
8660 3015 TIP3 H1 45.3455719936 41.5749997071 31.9945825425 SOLV 2814 0.0000000000
|
|
8661 3015 TIP3 H2 43.9876907093 40.9219848552 32.1919120312 SOLV 2814 0.0000000000
|
|
8662 3016 TIP3 OH2 45.6413000911 46.2968547929 32.5210213525 SOLV 2815 0.0000000000
|
|
8663 3016 TIP3 H1 46.5917209330 46.1615074051 32.4811535287 SOLV 2815 0.0000000000
|
|
8664 3016 TIP3 H2 45.4997636543 47.1535019242 32.0543594706 SOLV 2815 0.0000000000
|
|
8665 3017 TIP3 OH2 42.8210030530 43.2606353342 37.1477767194 SOLV 2816 0.0000000000
|
|
8666 3017 TIP3 H1 42.0074898559 42.7556444784 36.9085006369 SOLV 2816 0.0000000000
|
|
8667 3017 TIP3 H2 43.2544500558 43.3391579288 36.2730836936 SOLV 2816 0.0000000000
|
|
8668 3018 TIP3 OH2 45.4535083128 38.2294964824 32.6812221496 SOLV 2817 0.0000000000
|
|
8669 3018 TIP3 H1 45.2373798624 39.1807062674 32.7312529728 SOLV 2817 0.0000000000
|
|
8670 3018 TIP3 H2 44.7128906282 37.9071785991 32.1233131201 SOLV 2817 0.0000000000
|
|
8671 3019 TIP3 OH2 46.6451448483 42.5422890763 36.5105530496 SOLV 2818 0.0000000000
|
|
8672 3019 TIP3 H1 46.0685831738 42.2444514099 37.2510915715 SOLV 2818 0.0000000000
|
|
8673 3019 TIP3 H2 45.9895510519 42.6259553103 35.7890278372 SOLV 2818 0.0000000000
|
|
8674 3020 TIP3 OH2 49.0855605272 41.2069415862 35.9765717965 SOLV 2819 0.0000000000
|
|
8675 3020 TIP3 H1 48.1855980801 41.5925120977 35.9957054796 SOLV 2819 0.0000000000
|
|
8676 3020 TIP3 H2 49.0006944811 40.6048953828 36.7266341683 SOLV 2819 0.0000000000
|
|
8677 3021 TIP3 OH2 40.6883066633 41.5267321900 36.9113785201 SOLV 2820 0.0000000000
|
|
8678 3021 TIP3 H1 40.7474723935 40.6972775394 36.3958300822 SOLV 2820 0.0000000000
|
|
8679 3021 TIP3 H2 40.7111450367 41.2524966604 37.8483742779 SOLV 2820 0.0000000000
|
|
8680 3022 TIP3 OH2 45.2354677294 37.7240465818 35.7895424227 SOLV 2821 0.0000000000
|
|
8681 3022 TIP3 H1 45.9062096641 37.0212205420 35.8968189189 SOLV 2821 0.0000000000
|
|
8682 3022 TIP3 H2 45.1939053633 37.7462302469 34.8099523272 SOLV 2821 0.0000000000
|
|
8683 3023 TIP3 OH2 46.0261017421 39.2837125759 37.9883147489 SOLV 2822 0.0000000000
|
|
8684 3023 TIP3 H1 45.7648821608 38.7997334979 37.1703740056 SOLV 2822 0.0000000000
|
|
8685 3023 TIP3 H2 45.5034842426 40.1066220455 37.8909275481 SOLV 2822 0.0000000000
|
|
8686 3024 TIP3 OH2 38.6617730916 47.1368907981 29.9193457329 SOLV 2823 0.0000000000
|
|
8687 3024 TIP3 H1 38.8320435715 46.9344922896 28.9700945831 SOLV 2823 0.0000000000
|
|
8688 3024 TIP3 H2 39.5787390581 46.9895495482 30.2780995733 SOLV 2823 0.0000000000
|
|
8689 3025 TIP3 OH2 38.4504189740 42.6046997695 35.6513934406 SOLV 2824 0.0000000000
|
|
8690 3025 TIP3 H1 39.3462031886 42.4482936919 35.9994525701 SOLV 2824 0.0000000000
|
|
8691 3025 TIP3 H2 38.0832948620 41.6894462344 35.7321977509 SOLV 2824 0.0000000000
|
|
8692 3026 TIP3 OH2 39.4305641848 41.3397617203 28.9209198543 SOLV 2825 0.0000000000
|
|
8693 3026 TIP3 H1 39.7476098779 40.4191569738 28.7968557098 SOLV 2825 0.0000000000
|
|
8694 3026 TIP3 H2 38.9156744951 41.2636832697 29.7273689739 SOLV 2825 0.0000000000
|
|
8695 3027 TIP3 OH2 37.4943127945 43.7687851216 29.7021195181 SOLV 2826 0.0000000000
|
|
8696 3027 TIP3 H1 38.2107963219 43.6126361219 29.0616201220 SOLV 2826 0.0000000000
|
|
8697 3027 TIP3 H2 37.6028403038 44.7122206814 29.9456098516 SOLV 2826 0.0000000000
|
|
8698 3028 TIP3 OH2 38.1171157453 39.9137617240 23.4457770935 SOLV 2827 0.0000000000
|
|
8699 3028 TIP3 H1 37.4274681584 40.1584937619 22.8145251028 SOLV 2827 0.0000000000
|
|
8700 3028 TIP3 H2 38.7342922213 40.6532076419 23.2978986906 SOLV 2827 0.0000000000
|
|
8701 3029 TIP3 OH2 38.1548285807 38.9714920701 32.1139721637 SOLV 2828 0.0000000000
|
|
8702 3029 TIP3 H1 37.4041294075 38.9403096515 32.7386054365 SOLV 2828 0.0000000000
|
|
8703 3029 TIP3 H2 37.8247750985 39.5746637662 31.4263555787 SOLV 2828 0.0000000000
|
|
8704 3030 TIP3 OH2 47.8023875771 39.7427699548 27.5596469447 SOLV 2829 0.0000000000
|
|
8705 3030 TIP3 H1 47.2148027672 39.1270148064 28.0378699062 SOLV 2829 0.0000000000
|
|
8706 3030 TIP3 H2 48.6301374486 39.6471183616 28.0671543078 SOLV 2829 0.0000000000
|
|
8707 3031 TIP3 OH2 40.8085605083 38.2576122938 25.9228159435 SOLV 2830 0.0000000000
|
|
8708 3031 TIP3 H1 39.8666561523 38.0979343554 25.7199177389 SOLV 2830 0.0000000000
|
|
8709 3031 TIP3 H2 41.1649824837 37.3433727075 25.8846560724 SOLV 2830 0.0000000000
|
|
8710 3032 TIP3 OH2 39.5112739663 38.4744972789 21.4866105165 SOLV 2831 0.0000000000
|
|
8711 3032 TIP3 H1 40.1624361413 39.0814059458 21.0826322149 SOLV 2831 0.0000000000
|
|
8712 3032 TIP3 H2 39.2169109512 38.9917586077 22.2577226984 SOLV 2831 0.0000000000
|
|
8713 3033 TIP3 OH2 45.2723346824 37.9525410981 26.1089027283 SOLV 2832 0.0000000000
|
|
8714 3033 TIP3 H1 45.9393238340 38.2935334913 25.4951528672 SOLV 2832 0.0000000000
|
|
8715 3033 TIP3 H2 45.7940927297 37.8655855250 26.9233993911 SOLV 2832 0.0000000000
|
|
8716 3034 TIP3 OH2 41.3536947076 40.1830108614 20.3121886098 SOLV 2833 0.0000000000
|
|
8717 3034 TIP3 H1 41.6881808190 39.5320379753 19.6631052820 SOLV 2833 0.0000000000
|
|
8718 3034 TIP3 H2 42.1836306530 40.3743795310 20.8085217066 SOLV 2833 0.0000000000
|
|
8719 3035 TIP3 OH2 46.1793318642 40.8320202549 22.4994043904 SOLV 2834 0.0000000000
|
|
8720 3035 TIP3 H1 46.3966702775 40.2103630130 23.2139188714 SOLV 2834 0.0000000000
|
|
8721 3035 TIP3 H2 46.2364511168 41.6724333009 23.0141300611 SOLV 2834 0.0000000000
|
|
8722 3036 TIP3 OH2 40.5917740427 39.2383902011 35.3534359358 SOLV 2835 0.0000000000
|
|
8723 3036 TIP3 H1 39.9836917959 38.5045873622 35.5970447948 SOLV 2835 0.0000000000
|
|
8724 3036 TIP3 H2 41.4147802235 38.8844642682 35.7484388803 SOLV 2835 0.0000000000
|
|
8725 3037 TIP3 OH2 42.4894296470 38.4540752880 37.2219230004 SOLV 2836 0.0000000000
|
|
8726 3037 TIP3 H1 43.4145922892 38.2799260541 36.9745024553 SOLV 2836 0.0000000000
|
|
8727 3037 TIP3 H2 42.1940626715 37.5489469018 37.4392747063 SOLV 2836 0.0000000000
|
|
8728 3038 TIP3 OH2 12.2745836216 10.0966905061 44.5465161210 SOLV 2837 0.0000000000
|
|
8729 3038 TIP3 H1 12.0759753693 11.0406031780 44.4047362877 SOLV 2837 0.0000000000
|
|
8730 3038 TIP3 H2 11.5796448375 9.6719087653 44.0011796296 SOLV 2837 0.0000000000
|
|
8731 3039 TIP3 OH2 10.8249134425 9.2082065822 48.6045922424 SOLV 2838 0.0000000000
|
|
8732 3039 TIP3 H1 10.8532275477 8.7727833040 49.4823315642 SOLV 2838 0.0000000000
|
|
8733 3039 TIP3 H2 10.3267181687 8.5539725963 48.0802758185 SOLV 2838 0.0000000000
|
|
8734 3040 TIP3 OH2 3.7510790949 9.0128055574 -0.1066030776 SOLV 2839 0.0000000000
|
|
8735 3040 TIP3 H1 3.3687459768 9.0570076161 0.7892779513 SOLV 2839 0.0000000000
|
|
8736 3040 TIP3 H2 4.2823560648 9.8302382776 -0.1633917286 SOLV 2839 0.0000000000
|
|
8737 3041 TIP3 OH2 14.6652394508 11.8976268061 46.3327393731 SOLV 2840 0.0000000000
|
|
8738 3041 TIP3 H1 14.3484083134 11.1649618391 46.8888369717 SOLV 2840 0.0000000000
|
|
8739 3041 TIP3 H2 14.7166049065 12.6237485860 46.9880682647 SOLV 2840 0.0000000000
|
|
8740 3042 TIP3 OH2 4.2640494720 13.3198805561 48.2039189739 SOLV 2841 0.0000000000
|
|
8741 3042 TIP3 H1 4.1354239058 12.3574295176 48.1101342260 SOLV 2841 0.0000000000
|
|
8742 3042 TIP3 H2 5.2404499532 13.3017862277 48.0860236162 SOLV 2841 0.0000000000
|
|
8743 3043 TIP3 OH2 0.5470376052 7.0749100464 43.8628869189 SOLV 2842 0.0000000000
|
|
8744 3043 TIP3 H1 0.4608074038 8.0107256602 44.1167335057 SOLV 2842 0.0000000000
|
|
8745 3043 TIP3 H2 0.6138608107 6.6327262102 44.7224125934 SOLV 2842 0.0000000000
|
|
8746 3044 TIP3 OH2 2.1437645805 9.3031028452 46.3652761491 SOLV 2843 0.0000000000
|
|
8747 3044 TIP3 H1 2.2006977695 8.3241111781 46.4669993419 SOLV 2843 0.0000000000
|
|
8748 3044 TIP3 H2 1.5703413740 9.4035893219 45.5882607604 SOLV 2843 0.0000000000
|
|
8749 3045 TIP3 OH2 12.2021711981 17.3275331637 46.9722421751 SOLV 2844 0.0000000000
|
|
8750 3045 TIP3 H1 12.4966870122 16.7497195625 46.2390712753 SOLV 2844 0.0000000000
|
|
8751 3045 TIP3 H2 11.9557110330 16.6789869739 47.6329462228 SOLV 2844 0.0000000000
|
|
8752 3046 TIP3 OH2 9.1867765200 12.0018601455 48.5360214883 SOLV 2845 0.0000000000
|
|
8753 3046 TIP3 H1 9.4670629638 11.1238050912 48.2402273228 SOLV 2845 0.0000000000
|
|
8754 3046 TIP3 H2 9.9269528540 12.1797959154 49.1550748339 SOLV 2845 0.0000000000
|
|
8755 3047 TIP3 OH2 18.8053803026 3.4549389560 49.1682005036 SOLV 2846 0.0000000000
|
|
8756 3047 TIP3 H1 18.5136797312 4.1578185258 48.5793202274 SOLV 2846 0.0000000000
|
|
8757 3047 TIP3 H2 19.5484317889 3.0568009876 48.6688357499 SOLV 2846 0.0000000000
|
|
8758 3048 TIP3 OH2 12.5580567951 6.2700147223 49.1727556551 SOLV 2847 0.0000000000
|
|
8759 3048 TIP3 H1 12.7121458177 5.3071308256 49.0632532831 SOLV 2847 0.0000000000
|
|
8760 3048 TIP3 H2 12.2070416834 6.4820371508 48.2986854364 SOLV 2847 0.0000000000
|
|
8761 3049 TIP3 OH2 6.0308044473 4.0756303927 46.1692173113 SOLV 2848 0.0000000000
|
|
8762 3049 TIP3 H1 6.1004028628 4.9578023122 45.7419781794 SOLV 2848 0.0000000000
|
|
8763 3049 TIP3 H2 5.6978535839 3.5249652564 45.4280499362 SOLV 2848 0.0000000000
|
|
8764 3050 TIP3 OH2 13.6601746567 4.2585823685 44.4395583174 SOLV 2849 0.0000000000
|
|
8765 3050 TIP3 H1 14.0490599793 3.9499121202 45.2881153344 SOLV 2849 0.0000000000
|
|
8766 3050 TIP3 H2 14.3371665618 4.8831327578 44.1278992023 SOLV 2849 0.0000000000
|
|
8767 3051 TIP3 OH2 2.0783426288 6.6294028554 46.5286730133 SOLV 2850 0.0000000000
|
|
8768 3051 TIP3 H1 2.6741576929 6.2094227003 47.1912789790 SOLV 2850 0.0000000000
|
|
8769 3051 TIP3 H2 2.4879223304 6.2303655721 45.7304051207 SOLV 2850 0.0000000000
|
|
8770 3052 TIP3 OH2 7.1856267479 8.2589463605 46.4043142057 SOLV 2851 0.0000000000
|
|
8771 3052 TIP3 H1 8.1024307078 7.9097489985 46.5137008062 SOLV 2851 0.0000000000
|
|
8772 3052 TIP3 H2 6.7608899301 7.4839337131 45.9897334821 SOLV 2851 0.0000000000
|
|
8773 3053 TIP3 OH2 11.9664635556 12.6298342842 43.2632140852 SOLV 2852 0.0000000000
|
|
8774 3053 TIP3 H1 11.5836641175 12.5648212783 42.3556388672 SOLV 2852 0.0000000000
|
|
8775 3053 TIP3 H2 11.5722350737 13.4951250776 43.5358142935 SOLV 2852 0.0000000000
|
|
8776 3054 TIP3 OH2 14.8250148907 3.7541494887 46.8134813798 SOLV 2853 0.0000000000
|
|
8777 3054 TIP3 H1 14.0604666302 3.6783174910 47.4254105440 SOLV 2853 0.0000000000
|
|
8778 3054 TIP3 H2 15.4037290144 4.3531717318 47.3143693051 SOLV 2853 0.0000000000
|
|
8779 3055 TIP3 OH2 3.8857835645 5.0224500242 47.7698951919 SOLV 2854 0.0000000000
|
|
8780 3055 TIP3 H1 4.3622915089 5.2512427190 48.5876947777 SOLV 2854 0.0000000000
|
|
8781 3055 TIP3 H2 4.5915584562 4.5245796619 47.2998151794 SOLV 2854 0.0000000000
|
|
8782 3056 TIP3 OH2 1.4342293726 12.5308251360 41.5365723881 SOLV 2855 0.0000000000
|
|
8783 3056 TIP3 H1 0.6902603856 12.9737325629 41.1028607111 SOLV 2855 0.0000000000
|
|
8784 3056 TIP3 H2 1.6585223851 13.1857629918 42.2424884736 SOLV 2855 0.0000000000
|
|
8785 3057 TIP3 OH2 14.8878238070 14.2902488780 47.9410356331 SOLV 2856 0.0000000000
|
|
8786 3057 TIP3 H1 13.9774287731 14.3952937336 48.2413076450 SOLV 2856 0.0000000000
|
|
8787 3057 TIP3 H2 15.2344972788 15.1835136490 48.0628643999 SOLV 2856 0.0000000000
|
|
8788 3058 TIP3 OH2 8.2582127073 1.0084980389 47.4204552179 SOLV 2857 0.0000000000
|
|
8789 3058 TIP3 H1 8.7020906449 0.2091189721 47.7933556752 SOLV 2857 0.0000000000
|
|
8790 3058 TIP3 H2 7.4216541135 1.0111381287 47.9415289527 SOLV 2857 0.0000000000
|
|
8791 3059 TIP3 OH2 13.1814976605 15.9973367399 44.9611976727 SOLV 2858 0.0000000000
|
|
8792 3059 TIP3 H1 13.6335249449 15.1685849275 44.6610849743 SOLV 2858 0.0000000000
|
|
8793 3059 TIP3 H2 13.8978591464 16.6726805410 44.8626122880 SOLV 2858 0.0000000000
|
|
8794 3060 TIP3 OH2 14.3823572830 13.7149385281 44.0871915696 SOLV 2859 0.0000000000
|
|
8795 3060 TIP3 H1 13.6333164343 13.1407749220 43.8093562921 SOLV 2859 0.0000000000
|
|
8796 3060 TIP3 H2 14.7528677541 13.1458632754 44.7788807872 SOLV 2859 0.0000000000
|
|
8797 3061 TIP3 OH2 10.8234385862 9.1365529354 42.5193989004 SOLV 2860 0.0000000000
|
|
8798 3061 TIP3 H1 10.1134760334 9.7735922195 42.2789935675 SOLV 2860 0.0000000000
|
|
8799 3061 TIP3 H2 11.4983231644 9.3242043999 41.8237500647 SOLV 2860 0.0000000000
|
|
8800 3062 TIP3 OH2 10.9431952254 8.1717814661 38.9551947203 SOLV 2861 0.0000000000
|
|
8801 3062 TIP3 H1 11.5455899223 8.5369455404 39.6405150880 SOLV 2861 0.0000000000
|
|
8802 3062 TIP3 H2 11.5414103751 7.5360463068 38.5209675719 SOLV 2861 0.0000000000
|
|
8803 3063 TIP3 OH2 14.5412962533 9.7539740701 42.9774510118 SOLV 2862 0.0000000000
|
|
8804 3063 TIP3 H1 13.7701649045 9.8532053585 43.5858166587 SOLV 2862 0.0000000000
|
|
8805 3063 TIP3 H2 15.1505644891 9.2040904487 43.5235437111 SOLV 2862 0.0000000000
|
|
8806 3064 TIP3 OH2 5.6995875553 9.9697879405 44.9013899173 SOLV 2863 0.0000000000
|
|
8807 3064 TIP3 H1 5.5850721018 9.5072132475 44.0438026798 SOLV 2863 0.0000000000
|
|
8808 3064 TIP3 H2 6.3290819668 9.3837887973 45.3697969366 SOLV 2863 0.0000000000
|
|
8809 3065 TIP3 OH2 6.8444023097 13.2820149932 47.6758911906 SOLV 2864 0.0000000000
|
|
8810 3065 TIP3 H1 6.9358436646 13.5308763788 46.7363035184 SOLV 2864 0.0000000000
|
|
8811 3065 TIP3 H2 7.6814775066 12.7993702940 47.8424493336 SOLV 2864 0.0000000000
|
|
8812 3066 TIP3 OH2 7.1367509106 8.8309057973 48.9804858965 SOLV 2865 0.0000000000
|
|
8813 3066 TIP3 H1 7.2069562874 8.7122096727 48.0022175496 SOLV 2865 0.0000000000
|
|
8814 3066 TIP3 H2 6.4796127159 9.5432556190 49.0402480908 SOLV 2865 0.0000000000
|
|
8815 3067 TIP3 OH2 12.3183329968 14.8143107738 49.6286814277 SOLV 2866 0.0000000000
|
|
8816 3067 TIP3 H1 13.0668420401 14.9949976726 50.2321554609 SOLV 2866 0.0000000000
|
|
8817 3067 TIP3 H2 12.0259904723 13.9176993188 49.9066914049 SOLV 2866 0.0000000000
|
|
8818 3068 TIP3 OH2 13.0704137900 8.8315654556 40.8453527180 SOLV 2867 0.0000000000
|
|
8819 3068 TIP3 H1 13.7168847537 9.2213850308 41.4794477483 SOLV 2867 0.0000000000
|
|
8820 3068 TIP3 H2 13.4760308963 9.0976764825 39.9796169978 SOLV 2867 0.0000000000
|
|
8821 3069 TIP3 OH2 10.7427166679 14.9585648184 43.9969236893 SOLV 2868 0.0000000000
|
|
8822 3069 TIP3 H1 11.3632138098 15.4544618522 44.5451504282 SOLV 2868 0.0000000000
|
|
8823 3069 TIP3 H2 9.9179831893 15.4583705548 44.1650809561 SOLV 2868 0.0000000000
|
|
8824 3070 TIP3 OH2 16.3024712335 0.6575504132 39.6700008621 SOLV 2869 0.0000000000
|
|
8825 3070 TIP3 H1 15.7597384424 0.9480519479 40.4133265982 SOLV 2869 0.0000000000
|
|
8826 3070 TIP3 H2 16.9652131186 1.3790597263 39.6614584061 SOLV 2869 0.0000000000
|
|
8827 3071 TIP3 OH2 5.2340223546 8.9529577654 42.4238057556 SOLV 2870 0.0000000000
|
|
8828 3071 TIP3 H1 4.7047112070 9.7704466202 42.2657762214 SOLV 2870 0.0000000000
|
|
8829 3071 TIP3 H2 4.5786526720 8.2690198527 42.2630022987 SOLV 2870 0.0000000000
|
|
8830 3072 TIP3 OH2 17.9069012829 14.6284780317 39.0486520896 SOLV 2871 0.0000000000
|
|
8831 3072 TIP3 H1 18.1395488534 15.5700006291 39.1901245108 SOLV 2871 0.0000000000
|
|
8832 3072 TIP3 H2 18.7987674472 14.2566730045 39.1880116677 SOLV 2871 0.0000000000
|
|
8833 3073 TIP3 OH2 1.4445056107 14.4554553233 48.0833215628 SOLV 2872 0.0000000000
|
|
8834 3073 TIP3 H1 2.3295168524 14.0665106129 47.9614222536 SOLV 2872 0.0000000000
|
|
8835 3073 TIP3 H2 1.5274377933 14.8974716549 48.9354617549 SOLV 2872 0.0000000000
|
|
8836 3074 TIP3 OH2 10.8263668867 18.2637416680 42.8717822243 SOLV 2873 0.0000000000
|
|
8837 3074 TIP3 H1 10.3763626624 18.2767967268 42.0159998437 SOLV 2873 0.0000000000
|
|
8838 3074 TIP3 H2 10.1269760745 17.9027721926 43.4535656168 SOLV 2873 0.0000000000
|
|
8839 3075 TIP3 OH2 4.0254783357 17.3557768363 44.3658878867 SOLV 2874 0.0000000000
|
|
8840 3075 TIP3 H1 4.9023886113 17.0678089912 44.6607933100 SOLV 2874 0.0000000000
|
|
8841 3075 TIP3 H2 3.4330275396 16.6942964297 44.7435557688 SOLV 2874 0.0000000000
|
|
8842 3076 TIP3 OH2 13.3291473404 17.4382232955 39.4956441861 SOLV 2875 0.0000000000
|
|
8843 3076 TIP3 H1 13.7962232271 16.6718117509 39.0820989542 SOLV 2875 0.0000000000
|
|
8844 3076 TIP3 H2 13.5734617898 17.3173356131 40.4444913280 SOLV 2875 0.0000000000
|
|
8845 3077 TIP3 OH2 13.2502626723 17.2609608863 42.2379980325 SOLV 2876 0.0000000000
|
|
8846 3077 TIP3 H1 12.3494258548 17.5880070129 42.4769641600 SOLV 2876 0.0000000000
|
|
8847 3077 TIP3 H2 13.4262835604 16.6586961339 42.9760687883 SOLV 2876 0.0000000000
|
|
8848 3078 TIP3 OH2 6.0342592381 1.0765354749 49.0638677677 SOLV 2877 0.0000000000
|
|
8849 3078 TIP3 H1 5.1959310282 1.1072214741 48.5630137676 SOLV 2877 0.0000000000
|
|
8850 3078 TIP3 H2 5.9812412087 1.9562304521 49.4927712516 SOLV 2877 0.0000000000
|
|
8851 3079 TIP3 OH2 14.0812892341 9.5325135778 38.5120895329 SOLV 2878 0.0000000000
|
|
8852 3079 TIP3 H1 14.0606042439 9.6633561249 37.5404941690 SOLV 2878 0.0000000000
|
|
8853 3079 TIP3 H2 15.0511938289 9.5708217619 38.6205006168 SOLV 2878 0.0000000000
|
|
8854 3080 TIP3 OH2 10.0738662810 3.2919353388 39.4716184299 SOLV 2879 0.0000000000
|
|
8855 3080 TIP3 H1 9.4423428657 3.1660805917 40.2092740112 SOLV 2879 0.0000000000
|
|
8856 3080 TIP3 H2 9.5941586958 2.7626577216 38.7908971587 SOLV 2879 0.0000000000
|
|
8857 3081 TIP3 OH2 5.6420578331 6.4325008288 49.6180945262 SOLV 2880 0.0000000000
|
|
8858 3081 TIP3 H1 4.7727314664 6.8691638560 49.6274617772 SOLV 2880 0.0000000000
|
|
8859 3081 TIP3 H2 6.1875210108 7.1570108838 49.2389228848 SOLV 2880 0.0000000000
|
|
8860 3082 TIP3 OH2 5.9639742901 6.4377410251 44.7637571224 SOLV 2881 0.0000000000
|
|
8861 3082 TIP3 H1 5.0000608550 6.3675821255 44.5460982297 SOLV 2881 0.0000000000
|
|
8862 3082 TIP3 H2 6.3048319760 6.4465575461 43.8572610554 SOLV 2881 0.0000000000
|
|
8863 3083 TIP3 OH2 11.4959120141 6.6558487346 43.4185040278 SOLV 2882 0.0000000000
|
|
8864 3083 TIP3 H1 11.1573644596 7.4946166218 43.0529474725 SOLV 2882 0.0000000000
|
|
8865 3083 TIP3 H2 12.0363219321 6.3330013688 42.6776710994 SOLV 2882 0.0000000000
|
|
8866 3084 TIP3 OH2 12.1572172506 6.2437514596 46.1816956959 SOLV 2883 0.0000000000
|
|
8867 3084 TIP3 H1 11.8802854138 6.6054876957 45.3103694284 SOLV 2883 0.0000000000
|
|
8868 3084 TIP3 H2 12.6379776092 5.4637456064 45.8544891502 SOLV 2883 0.0000000000
|
|
8869 3085 TIP3 OH2 6.7082347618 3.6953678476 38.1207270880 SOLV 2884 0.0000000000
|
|
8870 3085 TIP3 H1 6.4432600421 3.5702318594 39.0539535284 SOLV 2884 0.0000000000
|
|
8871 3085 TIP3 H2 6.1893031233 4.4942436290 37.8851364795 SOLV 2884 0.0000000000
|
|
8872 3086 TIP3 OH2 0.4543734046 4.0572030185 45.0125525990 SOLV 2885 0.0000000000
|
|
8873 3086 TIP3 H1 0.7593905252 4.1438694427 45.9396919283 SOLV 2885 0.0000000000
|
|
8874 3086 TIP3 H2 0.9264950645 3.2788818469 44.7279215330 SOLV 2885 0.0000000000
|
|
8875 3087 TIP3 OH2 1.9133602048 4.1762108013 41.2286361626 SOLV 2886 0.0000000000
|
|
8876 3087 TIP3 H1 2.1147267737 3.8160911255 40.3523476021 SOLV 2886 0.0000000000
|
|
8877 3087 TIP3 H2 1.8443310589 5.1255236062 40.9948909581 SOLV 2886 0.0000000000
|
|
8878 3088 TIP3 OH2 8.9901547074 4.1257743619 45.5743142891 SOLV 2887 0.0000000000
|
|
8879 3088 TIP3 H1 8.1050674000 4.0045206914 45.9702904191 SOLV 2887 0.0000000000
|
|
8880 3088 TIP3 H2 9.5286280774 3.7197270650 46.2813277120 SOLV 2887 0.0000000000
|
|
8881 3089 TIP3 OH2 3.4084343181 5.7283913850 44.1963280364 SOLV 2888 0.0000000000
|
|
8882 3089 TIP3 H1 2.8042586274 5.8942328590 43.4654829709 SOLV 2888 0.0000000000
|
|
8883 3089 TIP3 H2 3.8247675671 4.8822260871 43.9323914298 SOLV 2888 0.0000000000
|
|
8884 3090 TIP3 OH2 6.3616951206 5.6351217940 42.0565803957 SOLV 2889 0.0000000000
|
|
8885 3090 TIP3 H1 7.3271118377 5.6097241428 42.1533637222 SOLV 2889 0.0000000000
|
|
8886 3090 TIP3 H2 6.2696222224 6.1597639467 41.2214519205 SOLV 2889 0.0000000000
|
|
8887 3091 TIP3 OH2 12.8208990391 3.5633010031 48.6315105662 SOLV 2890 0.0000000000
|
|
8888 3091 TIP3 H1 12.6588217477 3.3089442809 49.5717209336 SOLV 2890 0.0000000000
|
|
8889 3091 TIP3 H2 12.0156923577 3.2259115512 48.1891197583 SOLV 2890 0.0000000000
|
|
8890 3092 TIP3 OH2 6.0404629350 6.9505396978 39.6362986900 SOLV 2891 0.0000000000
|
|
8891 3092 TIP3 H1 5.6268845926 6.4954984919 38.8676357988 SOLV 2891 0.0000000000
|
|
8892 3092 TIP3 H2 6.8677407049 7.2697620371 39.2254376841 SOLV 2891 0.0000000000
|
|
8893 3093 TIP3 OH2 9.5129910168 7.0527166481 47.2596472342 SOLV 2892 0.0000000000
|
|
8894 3093 TIP3 H1 10.2614293799 6.5092511580 46.9683287344 SOLV 2892 0.0000000000
|
|
8895 3093 TIP3 H2 9.2425892311 6.5190434000 48.0424829462 SOLV 2892 0.0000000000
|
|
8896 3094 TIP3 OH2 4.8636176510 2.9135623909 43.9105775232 SOLV 2893 0.0000000000
|
|
8897 3094 TIP3 H1 4.1572976435 2.3774031413 44.3294095218 SOLV 2893 0.0000000000
|
|
8898 3094 TIP3 H2 5.5143499219 2.1942386790 43.7375878695 SOLV 2893 0.0000000000
|
|
8899 3095 TIP3 OH2 9.0720374647 5.4929206135 49.3868256008 SOLV 2894 0.0000000000
|
|
8900 3095 TIP3 H1 8.1780444912 5.5599071744 49.7466205159 SOLV 2894 0.0000000000
|
|
8901 3095 TIP3 H2 9.5396524245 5.0814049111 50.1412804058 SOLV 2894 0.0000000000
|
|
8902 3096 TIP3 OH2 9.0079850701 11.0683564931 41.8117320397 SOLV 2895 0.0000000000
|
|
8903 3096 TIP3 H1 8.2935709402 10.7374311518 41.2268048868 SOLV 2895 0.0000000000
|
|
8904 3096 TIP3 H2 8.4469564861 11.5115527826 42.4905503216 SOLV 2895 0.0000000000
|
|
8905 3097 TIP3 OH2 12.5571708963 3.9396710095 40.0980789102 SOLV 2896 0.0000000000
|
|
8906 3097 TIP3 H1 11.6042566002 3.9817506330 39.8488782638 SOLV 2896 0.0000000000
|
|
8907 3097 TIP3 H2 12.8043878767 4.8685908408 40.2683263651 SOLV 2896 0.0000000000
|
|
8908 3098 TIP3 OH2 13.3506463120 6.1554551165 41.3283858103 SOLV 2897 0.0000000000
|
|
8909 3098 TIP3 H1 14.2319294033 6.1486482401 41.7416823680 SOLV 2897 0.0000000000
|
|
8910 3098 TIP3 H2 13.2501330012 7.1036311054 41.0880160579 SOLV 2897 0.0000000000
|
|
8911 3099 TIP3 OH2 4.4537396062 10.7516152289 47.3418670145 SOLV 2898 0.0000000000
|
|
8912 3099 TIP3 H1 4.9406170607 10.5851987161 46.5095149454 SOLV 2898 0.0000000000
|
|
8913 3099 TIP3 H2 3.6374006080 10.2776853316 47.1046973010 SOLV 2898 0.0000000000
|
|
8914 3100 TIP3 OH2 10.8446470380 12.6888852466 40.7256431937 SOLV 2899 0.0000000000
|
|
8915 3100 TIP3 H1 10.5766151669 13.6205203079 40.9368928584 SOLV 2899 0.0000000000
|
|
8916 3100 TIP3 H2 10.1081194076 12.1635925701 41.1109932461 SOLV 2899 0.0000000000
|
|
8917 3101 TIP3 OH2 17.9743351633 6.5460401291 41.1055149351 SOLV 2900 0.0000000000
|
|
8918 3101 TIP3 H1 17.4059457677 6.3499690016 40.3189821727 SOLV 2900 0.0000000000
|
|
8919 3101 TIP3 H2 18.2585621280 7.4512763240 40.8030385815 SOLV 2900 0.0000000000
|
|
8920 3102 TIP3 OH2 16.9225470209 14.9596614295 41.6936841783 SOLV 2901 0.0000000000
|
|
8921 3102 TIP3 H1 16.2252716258 14.4907129691 42.1652096583 SOLV 2901 0.0000000000
|
|
8922 3102 TIP3 H2 16.8948822510 14.5789037310 40.8026327884 SOLV 2901 0.0000000000
|
|
8923 3103 TIP3 OH2 13.6432068743 9.6308117869 48.1706346874 SOLV 2902 0.0000000000
|
|
8924 3103 TIP3 H1 12.6753358229 9.7111425613 48.0250147485 SOLV 2902 0.0000000000
|
|
8925 3103 TIP3 H2 13.9200116878 9.0173986909 47.4696832805 SOLV 2902 0.0000000000
|
|
8926 3104 TIP3 OH2 6.5846041896 14.2112504037 44.9931116603 SOLV 2903 0.0000000000
|
|
8927 3104 TIP3 H1 7.1649111628 14.9835740925 44.8106432437 SOLV 2903 0.0000000000
|
|
8928 3104 TIP3 H2 5.7406116230 14.5001125181 44.6233015886 SOLV 2903 0.0000000000
|
|
8929 3105 TIP3 OH2 2.2728523513 9.1415652138 39.4034856310 SOLV 2904 0.0000000000
|
|
8930 3105 TIP3 H1 2.9798751473 9.6009784148 39.9159396543 SOLV 2904 0.0000000000
|
|
8931 3105 TIP3 H2 1.4708104481 9.5640684964 39.7326837572 SOLV 2904 0.0000000000
|
|
8932 3106 TIP3 OH2 7.3436903181 11.9291104324 43.7142677162 SOLV 2905 0.0000000000
|
|
8933 3106 TIP3 H1 7.1712048649 12.7865570149 44.1484796102 SOLV 2905 0.0000000000
|
|
8934 3106 TIP3 H2 6.8655209662 11.3187506745 44.3020055993 SOLV 2905 0.0000000000
|
|
8935 3107 TIP3 OH2 14.4010306997 13.2763353726 39.5645728333 SOLV 2906 0.0000000000
|
|
8936 3107 TIP3 H1 14.7603896490 12.8198766379 40.3672538626 SOLV 2906 0.0000000000
|
|
8937 3107 TIP3 H2 13.4925597102 12.9474132772 39.5561771073 SOLV 2906 0.0000000000
|
|
8938 3108 TIP3 OH2 18.6276759881 17.4539777145 39.5779343720 SOLV 2907 0.0000000000
|
|
8939 3108 TIP3 H1 19.0565066884 18.2424578847 39.2193661858 SOLV 2907 0.0000000000
|
|
8940 3108 TIP3 H2 17.8771189913 17.8947612981 40.0520948785 SOLV 2907 0.0000000000
|
|
8941 3109 TIP3 OH2 15.4817827969 11.7682689359 41.3733349527 SOLV 2908 0.0000000000
|
|
8942 3109 TIP3 H1 15.1201633985 10.9915656943 41.8537513523 SOLV 2908 0.0000000000
|
|
8943 3109 TIP3 H2 16.4414667697 11.7082269294 41.5643342534 SOLV 2908 0.0000000000
|
|
8944 3110 TIP3 OH2 7.9946347323 14.2428767425 37.9540496289 SOLV 2909 0.0000000000
|
|
8945 3110 TIP3 H1 8.0926887954 13.4389600203 37.4126787005 SOLV 2909 0.0000000000
|
|
8946 3110 TIP3 H2 7.6509820710 13.8696238856 38.7911276748 SOLV 2909 0.0000000000
|
|
8947 3111 TIP3 OH2 7.0094530512 13.8032187318 40.4738878759 SOLV 2910 0.0000000000
|
|
8948 3111 TIP3 H1 7.6252142432 13.3999305188 41.1043381608 SOLV 2910 0.0000000000
|
|
8949 3111 TIP3 H2 6.9953395482 14.7383884215 40.7645446020 SOLV 2910 0.0000000000
|
|
8950 3112 TIP3 OH2 3.5804897042 10.8524372452 41.0325194716 SOLV 2911 0.0000000000
|
|
8951 3112 TIP3 H1 2.7629687856 11.3219709875 41.3008677116 SOLV 2911 0.0000000000
|
|
8952 3112 TIP3 H2 4.0035713664 11.5911908638 40.5506715197 SOLV 2911 0.0000000000
|
|
8953 3113 TIP3 OH2 12.0605594942 3.0406574551 42.6436512338 SOLV 2912 0.0000000000
|
|
8954 3113 TIP3 H1 12.2953883671 3.3794452418 41.7532969826 SOLV 2912 0.0000000000
|
|
8955 3113 TIP3 H2 12.6483586720 3.5899258494 43.2101018180 SOLV 2912 0.0000000000
|
|
8956 3114 TIP3 OH2 9.8889265931 15.2066356198 41.0143278356 SOLV 2913 0.0000000000
|
|
8957 3114 TIP3 H1 9.0622113991 15.5951197757 41.3541584779 SOLV 2913 0.0000000000
|
|
8958 3114 TIP3 H2 10.3331531011 16.0139481787 40.6996176334 SOLV 2913 0.0000000000
|
|
8959 3115 TIP3 OH2 8.9186643039 5.1917012608 43.0105306310 SOLV 2914 0.0000000000
|
|
8960 3115 TIP3 H1 9.7286859043 5.7130150851 43.1364379307 SOLV 2914 0.0000000000
|
|
8961 3115 TIP3 H2 8.8150917151 4.8192422311 43.9138710595 SOLV 2914 0.0000000000
|
|
8962 3116 TIP3 OH2 9.8253656818 2.1162546161 43.8281965009 SOLV 2915 0.0000000000
|
|
8963 3116 TIP3 H1 9.8630232347 2.8439852893 44.4783318182 SOLV 2915 0.0000000000
|
|
8964 3116 TIP3 H2 10.6878062250 2.2298010517 43.3759942281 SOLV 2915 0.0000000000
|
|
8965 3117 TIP3 OH2 7.3557819200 16.4739277157 41.1261484437 SOLV 2916 0.0000000000
|
|
8966 3117 TIP3 H1 7.3094972521 17.3684160370 40.7278886795 SOLV 2916 0.0000000000
|
|
8967 3117 TIP3 H2 7.4970784862 16.7011879063 42.0653313063 SOLV 2916 0.0000000000
|
|
8968 3118 TIP3 OH2 5.9300518916 3.2567297877 40.6286361384 SOLV 2917 0.0000000000
|
|
8969 3118 TIP3 H1 5.7766595666 3.9814298073 41.2658119199 SOLV 2917 0.0000000000
|
|
8970 3118 TIP3 H2 6.7944367014 2.9352955397 40.9804236541 SOLV 2917 0.0000000000
|
|
8971 3119 TIP3 OH2 14.6435358418 7.3515536405 46.7770571654 SOLV 2918 0.0000000000
|
|
8972 3119 TIP3 H1 13.7200462526 7.0552851534 46.8819676255 SOLV 2918 0.0000000000
|
|
8973 3119 TIP3 H2 15.1169790930 6.8909767067 47.5050202591 SOLV 2918 0.0000000000
|
|
8974 3120 TIP3 OH2 4.5829987419 12.9938647195 39.5834614204 SOLV 2919 0.0000000000
|
|
8975 3120 TIP3 H1 5.4059436170 13.3777483220 39.9552575739 SOLV 2919 0.0000000000
|
|
8976 3120 TIP3 H2 4.9574995700 12.4526074381 38.8540452268 SOLV 2919 0.0000000000
|
|
8977 3121 TIP3 OH2 1.6742269337 6.3494089338 39.3092455207 SOLV 2920 0.0000000000
|
|
8978 3121 TIP3 H1 2.1172685072 7.2124881675 39.3205381282 SOLV 2920 0.0000000000
|
|
8979 3121 TIP3 H2 1.2534789679 6.3509977342 38.4349215729 SOLV 2920 0.0000000000
|
|
8980 3122 TIP3 OH2 15.9184149920 17.1073148281 48.8945746009 SOLV 2921 0.0000000000
|
|
8981 3122 TIP3 H1 15.9057994488 17.7957737213 48.1900346138 SOLV 2921 0.0000000000
|
|
8982 3122 TIP3 H2 16.8520145634 16.8354211857 48.8677617261 SOLV 2921 0.0000000000
|
|
8983 3123 TIP3 OH2 3.6932690430 0.9895186923 47.5604245007 SOLV 2922 0.0000000000
|
|
8984 3123 TIP3 H1 3.3047729034 1.1159825019 46.6699101539 SOLV 2922 0.0000000000
|
|
8985 3123 TIP3 H2 3.8380536529 0.0191364920 47.5204326495 SOLV 2922 0.0000000000
|
|
8986 3124 TIP3 OH2 1.7740017637 14.6083084743 43.2843415372 SOLV 2923 0.0000000000
|
|
8987 3124 TIP3 H1 1.2072188276 14.9260259969 43.9981675503 SOLV 2923 0.0000000000
|
|
8988 3124 TIP3 H2 2.0143606222 15.4679009106 42.8699536012 SOLV 2923 0.0000000000
|
|
8989 3125 TIP3 OH2 9.9875437243 16.0450242744 37.6888545220 SOLV 2924 0.0000000000
|
|
8990 3125 TIP3 H1 9.4218779693 15.2944716264 37.9293157010 SOLV 2924 0.0000000000
|
|
8991 3125 TIP3 H2 10.7901994186 15.5849586758 37.3341364712 SOLV 2924 0.0000000000
|
|
8992 3126 TIP3 OH2 14.6545365978 15.4989822080 38.1656112528 SOLV 2925 0.0000000000
|
|
8993 3126 TIP3 H1 14.7567265255 14.6583063122 38.7054591790 SOLV 2925 0.0000000000
|
|
8994 3126 TIP3 H2 15.4556382977 15.4926801047 37.6242118625 SOLV 2925 0.0000000000
|
|
8995 3127 TIP3 OH2 5.8571564483 11.2708522240 37.9336149504 SOLV 2926 0.0000000000
|
|
8996 3127 TIP3 H1 6.1128277218 10.8039775618 38.7516037207 SOLV 2926 0.0000000000
|
|
8997 3127 TIP3 H2 6.7262155035 11.3012330123 37.4788772765 SOLV 2926 0.0000000000
|
|
8998 3128 TIP3 OH2 11.6314695734 12.8504042212 38.0607479243 SOLV 2927 0.0000000000
|
|
8999 3128 TIP3 H1 11.1812249684 12.8809992232 38.9247950349 SOLV 2927 0.0000000000
|
|
9000 3128 TIP3 H2 11.4518071587 11.9170851462 37.7995540842 SOLV 2927 0.0000000000
|
|
9001 3129 TIP3 OH2 6.8797436919 10.0558321370 40.3570661843 SOLV 2928 0.0000000000
|
|
9002 3129 TIP3 H1 6.2977689981 9.5175623773 40.9343709367 SOLV 2928 0.0000000000
|
|
9003 3129 TIP3 H2 7.3367364072 9.3559298595 39.8461931591 SOLV 2928 0.0000000000
|
|
9004 3130 TIP3 OH2 8.2482895338 8.2157497445 38.6353706183 SOLV 2929 0.0000000000
|
|
9005 3130 TIP3 H1 8.3410399161 8.5137587510 37.6974573688 SOLV 2929 0.0000000000
|
|
9006 3130 TIP3 H2 9.1850322644 8.0722009940 38.8729777489 SOLV 2929 0.0000000000
|
|
9007 3131 TIP3 OH2 16.8672629127 9.9163675300 38.3710920691 SOLV 2930 0.0000000000
|
|
9008 3131 TIP3 H1 17.0135302320 9.6990884287 37.4312014484 SOLV 2930 0.0000000000
|
|
9009 3131 TIP3 H2 16.8160075536 10.9213184195 38.3280260256 SOLV 2930 0.0000000000
|
|
9010 3132 TIP3 OH2 8.0928775704 18.9378734050 40.0143406422 SOLV 2931 0.0000000000
|
|
9011 3132 TIP3 H1 8.9144953230 18.3972545203 40.0030387558 SOLV 2931 0.0000000000
|
|
9012 3132 TIP3 H2 8.2122222431 19.3742075802 39.1502481268 SOLV 2931 0.0000000000
|
|
9013 3133 TIP3 OH2 2.0337542221 14.1149515515 38.5838559573 SOLV 2932 0.0000000000
|
|
9014 3133 TIP3 H1 2.8229769822 13.8814465457 39.0999958837 SOLV 2932 0.0000000000
|
|
9015 3133 TIP3 H2 1.7167699868 13.2292032887 38.3340822782 SOLV 2932 0.0000000000
|
|
9016 3134 TIP3 OH2 0.5627307979 18.6265253000 44.1589593583 SOLV 2933 0.0000000000
|
|
9017 3134 TIP3 H1 -0.3515655218 18.5629724625 43.8207116776 SOLV 2933 0.0000000000
|
|
9018 3134 TIP3 H2 0.6119822760 17.8601940070 44.7639577056 SOLV 2933 0.0000000000
|
|
9019 3135 TIP3 OH2 1.1917362894 16.4958022007 46.1917795355 SOLV 2934 0.0000000000
|
|
9020 3135 TIP3 H1 1.1955929141 15.6015485998 46.5867634030 SOLV 2934 0.0000000000
|
|
9021 3135 TIP3 H2 1.8082258818 16.9625205648 46.7981562390 SOLV 2934 0.0000000000
|
|
9022 3136 TIP3 OH2 18.7912784531 16.8945319777 49.1764169784 SOLV 2935 0.0000000000
|
|
9023 3136 TIP3 H1 18.7900318534 17.3143292620 50.0677544252 SOLV 2935 0.0000000000
|
|
9024 3136 TIP3 H2 19.5843558962 17.3031487382 48.8144289489 SOLV 2935 0.0000000000
|
|
9025 3137 TIP3 OH2 18.0638142719 11.1596437719 41.9793430097 SOLV 2936 0.0000000000
|
|
9026 3137 TIP3 H1 18.8066562364 11.7562231715 42.1737698867 SOLV 2936 0.0000000000
|
|
9027 3137 TIP3 H2 18.0391791284 10.5834831462 42.7708326558 SOLV 2936 0.0000000000
|
|
9028 3138 TIP3 OH2 18.2890899235 9.2034214886 44.1261675843 SOLV 2937 0.0000000000
|
|
9029 3138 TIP3 H1 17.4811198271 8.6778881725 44.3406219479 SOLV 2937 0.0000000000
|
|
9030 3138 TIP3 H2 18.8483925607 9.1184812205 44.9281167318 SOLV 2937 0.0000000000
|
|
9031 3139 TIP3 OH2 19.1180464139 12.2322816382 49.4215833359 SOLV 2938 0.0000000000
|
|
9032 3139 TIP3 H1 19.2917844190 11.4773436190 48.8270276369 SOLV 2938 0.0000000000
|
|
9033 3139 TIP3 H2 19.1459655889 13.0125180251 48.8281051842 SOLV 2938 0.0000000000
|
|
9034 3140 TIP3 OH2 18.5683830832 9.0156947734 40.2139754865 SOLV 2939 0.0000000000
|
|
9035 3140 TIP3 H1 17.8632792914 9.1878602936 39.5425932665 SOLV 2939 0.0000000000
|
|
9036 3140 TIP3 H2 18.4456633691 9.7998610754 40.7993046432 SOLV 2939 0.0000000000
|
|
9037 3141 TIP3 OH2 16.7972015074 6.4017424516 38.7408302187 SOLV 2940 0.0000000000
|
|
9038 3141 TIP3 H1 16.8241285292 6.8328313805 37.8777353809 SOLV 2940 0.0000000000
|
|
9039 3141 TIP3 H2 16.5728324279 5.4924952912 38.4582677805 SOLV 2940 0.0000000000
|
|
9040 3142 TIP3 OH2 15.9598475578 7.9499597958 44.5102260343 SOLV 2941 0.0000000000
|
|
9041 3142 TIP3 H1 15.8172363687 7.0980583281 44.0633370149 SOLV 2941 0.0000000000
|
|
9042 3142 TIP3 H2 15.5785021242 7.7874364301 45.4052970359 SOLV 2941 0.0000000000
|
|
9043 3143 TIP3 OH2 1.1561665375 9.2742562051 48.8943682805 SOLV 2942 0.0000000000
|
|
9044 3143 TIP3 H1 1.2566343384 9.5516461981 47.9598911723 SOLV 2942 0.0000000000
|
|
9045 3143 TIP3 H2 2.1048985745 9.2560402658 49.1403110016 SOLV 2942 0.0000000000
|
|
9046 3144 TIP3 OH2 15.8919934300 4.0401554518 37.7656219605 SOLV 2943 0.0000000000
|
|
9047 3144 TIP3 H1 16.5440513684 3.5296183254 38.2897100676 SOLV 2943 0.0000000000
|
|
9048 3144 TIP3 H2 15.1280916905 3.4360011623 37.7503564933 SOLV 2943 0.0000000000
|
|
9049 3145 TIP3 OH2 15.7998993296 5.6663293276 42.8041331208 SOLV 2944 0.0000000000
|
|
9050 3145 TIP3 H1 16.0984349648 4.7427766013 42.9527608826 SOLV 2944 0.0000000000
|
|
9051 3145 TIP3 H2 16.5424609504 5.9989398461 42.2628785941 SOLV 2944 0.0000000000
|
|
9052 3146 TIP3 OH2 16.1540468604 5.7017474685 48.3427400159 SOLV 2945 0.0000000000
|
|
9053 3146 TIP3 H1 17.0843716149 6.0108430882 48.2392454725 SOLV 2945 0.0000000000
|
|
9054 3146 TIP3 H2 16.2565413831 5.0722883658 49.0831364688 SOLV 2945 0.0000000000
|
|
9055 3147 TIP3 OH2 16.7565499515 3.0614273227 42.9874133723 SOLV 2946 0.0000000000
|
|
9056 3147 TIP3 H1 16.7610162538 2.4832915012 43.7820833111 SOLV 2946 0.0000000000
|
|
9057 3147 TIP3 H2 16.0649147801 2.6114633994 42.4663954647 SOLV 2946 0.0000000000
|
|
9058 3148 TIP3 OH2 1.7792089696 3.2126419827 47.6042007276 SOLV 2947 0.0000000000
|
|
9059 3148 TIP3 H1 2.1938894466 2.3890073438 47.9092578468 SOLV 2947 0.0000000000
|
|
9060 3148 TIP3 H2 2.4815202341 3.8699518689 47.7890244103 SOLV 2947 0.0000000000
|
|
9061 3149 TIP3 OH2 0.5496639972 6.6880952017 49.4603890123 SOLV 2948 0.0000000000
|
|
9062 3149 TIP3 H1 0.5487836463 6.3208138936 48.5681771255 SOLV 2948 0.0000000000
|
|
9063 3149 TIP3 H2 0.6832044564 7.6404007281 49.2654971870 SOLV 2948 0.0000000000
|
|
9064 3150 TIP3 OH2 17.9677332641 2.7490927106 39.5844850012 SOLV 2949 0.0000000000
|
|
9065 3150 TIP3 H1 18.4718149101 2.1541675144 38.9849565433 SOLV 2949 0.0000000000
|
|
9066 3150 TIP3 H2 18.6768867270 3.2621834579 40.0260951220 SOLV 2949 0.0000000000
|
|
9067 3151 TIP3 OH2 1.4813868994 1.9564465866 42.8116300713 SOLV 2950 0.0000000000
|
|
9068 3151 TIP3 H1 0.5283073325 2.1751067202 42.7246764741 SOLV 2950 0.0000000000
|
|
9069 3151 TIP3 H2 1.8370517284 2.8083202958 42.4405671896 SOLV 2950 0.0000000000
|
|
9070 3152 TIP3 OH2 15.0622671084 17.7270585426 44.5600737528 SOLV 2951 0.0000000000
|
|
9071 3152 TIP3 H1 15.9108571256 17.6381941010 44.0803451028 SOLV 2951 0.0000000000
|
|
9072 3152 TIP3 H2 15.3576201464 18.2035793948 45.3572234510 SOLV 2951 0.0000000000
|
|
9073 3153 TIP3 OH2 10.5324570732 19.9210964280 49.3780128784 SOLV 2952 0.0000000000
|
|
9074 3153 TIP3 H1 9.7462883281 19.5916903397 48.8768432100 SOLV 2952 0.0000000000
|
|
9075 3153 TIP3 H2 10.7384658387 19.1685161911 49.9516242654 SOLV 2952 0.0000000000
|
|
9076 3154 TIP3 OH2 2.8576115460 17.7371295525 48.0694316742 SOLV 2953 0.0000000000
|
|
9077 3154 TIP3 H1 2.8067280518 17.6184161297 49.0474792437 SOLV 2953 0.0000000000
|
|
9078 3154 TIP3 H2 3.5844115989 17.1242460294 47.8433659006 SOLV 2953 0.0000000000
|
|
9079 3155 TIP3 OH2 4.6257477382 15.8462188291 47.3507893693 SOLV 2954 0.0000000000
|
|
9080 3155 TIP3 H1 4.5696562645 14.8992442566 47.5671363379 SOLV 2954 0.0000000000
|
|
9081 3155 TIP3 H2 5.5241229825 16.0311484676 47.7039642883 SOLV 2954 0.0000000000
|
|
9082 3156 TIP3 OH2 7.1246789126 16.0578993953 48.2081382117 SOLV 2955 0.0000000000
|
|
9083 3156 TIP3 H1 7.5837823696 15.5923639662 47.4997228418 SOLV 2955 0.0000000000
|
|
9084 3156 TIP3 H2 7.4831054196 15.5848311477 48.9862971785 SOLV 2955 0.0000000000
|
|
9085 3157 TIP3 OH2 10.5325352981 2.5974190957 47.3832194991 SOLV 2956 0.0000000000
|
|
9086 3157 TIP3 H1 9.7802779747 1.9997172453 47.5495446891 SOLV 2956 0.0000000000
|
|
9087 3157 TIP3 H2 11.0908827893 2.0110853192 46.8131751424 SOLV 2956 0.0000000000
|
|
9088 3158 TIP3 OH2 16.1414483210 1.2419627472 47.3452637687 SOLV 2957 0.0000000000
|
|
9089 3158 TIP3 H1 16.8146398268 1.3372494868 46.6315148072 SOLV 2957 0.0000000000
|
|
9090 3158 TIP3 H2 15.7426318345 2.1290196361 47.3792635370 SOLV 2957 0.0000000000
|
|
9091 3159 TIP3 OH2 17.7230314717 1.5436296094 45.2131075253 SOLV 2958 0.0000000000
|
|
9092 3159 TIP3 H1 18.4358951789 0.9908964817 44.8650040797 SOLV 2958 0.0000000000
|
|
9093 3159 TIP3 H2 18.2363025483 2.4049231786 45.3071965882 SOLV 2958 0.0000000000
|
|
9094 3160 TIP3 OH2 3.1015206305 1.0291536111 44.8557916265 SOLV 2959 0.0000000000
|
|
9095 3160 TIP3 H1 2.4248595466 1.2527530492 44.1733548492 SOLV 2959 0.0000000000
|
|
9096 3160 TIP3 H2 3.2707526719 0.0967201810 44.6792151878 SOLV 2959 0.0000000000
|
|
9097 3161 TIP3 OH2 2.2969688650 0.4573108639 40.5837881624 SOLV 2960 0.0000000000
|
|
9098 3161 TIP3 H1 2.5288479055 1.0487013646 39.8472567947 SOLV 2960 0.0000000000
|
|
9099 3161 TIP3 H2 1.9003776236 1.0679178243 41.2223901746 SOLV 2960 0.0000000000
|
|
9100 3162 TIP3 OH2 7.3212893566 1.4587517828 44.4656366005 SOLV 2961 0.0000000000
|
|
9101 3162 TIP3 H1 8.2508006267 1.6980519748 44.2549215868 SOLV 2961 0.0000000000
|
|
9102 3162 TIP3 H2 7.3402243191 1.4980082361 45.4359516128 SOLV 2961 0.0000000000
|
|
9103 3163 TIP3 OH2 12.3050059300 1.2438784885 45.9005807281 SOLV 2962 0.0000000000
|
|
9104 3163 TIP3 H1 12.5906744412 1.5121698274 45.0128798949 SOLV 2962 0.0000000000
|
|
9105 3163 TIP3 H2 12.9398846877 0.5408565969 46.1072857540 SOLV 2962 0.0000000000
|
|
9106 3164 TIP3 OH2 14.6347383669 1.6462092387 42.1338412046 SOLV 2963 0.0000000000
|
|
9107 3164 TIP3 H1 13.6924330588 1.8714203052 42.1235869973 SOLV 2963 0.0000000000
|
|
9108 3164 TIP3 H2 14.5624241744 0.6688229047 42.1093751160 SOLV 2963 0.0000000000
|
|
9109 3165 TIP3 OH2 1.9323055062 16.8097043170 41.6103181701 SOLV 2964 0.0000000000
|
|
9110 3165 TIP3 H1 1.2468792689 16.4698979079 41.0270164404 SOLV 2964 0.0000000000
|
|
9111 3165 TIP3 H2 2.0080898172 17.7233900947 41.2650420970 SOLV 2964 0.0000000000
|
|
9112 3166 TIP3 OH2 3.8012729773 2.5299564781 39.1388018691 SOLV 2965 0.0000000000
|
|
9113 3166 TIP3 H1 4.2700369728 2.0523993767 38.4209697556 SOLV 2965 0.0000000000
|
|
9114 3166 TIP3 H2 4.5517102681 2.8252634849 39.6885046347 SOLV 2965 0.0000000000
|
|
9115 3167 TIP3 OH2 8.4408739466 2.9749944154 41.6493790044 SOLV 2966 0.0000000000
|
|
9116 3167 TIP3 H1 8.9453132462 2.4802995525 42.3299527370 SOLV 2966 0.0000000000
|
|
9117 3167 TIP3 H2 8.5877790465 3.8810111276 42.0018354902 SOLV 2966 0.0000000000
|
|
9118 3168 TIP3 OH2 10.5332093178 17.6332812210 39.8336452102 SOLV 2967 0.0000000000
|
|
9119 3168 TIP3 H1 11.4877704355 17.8414107575 39.7339491154 SOLV 2967 0.0000000000
|
|
9120 3168 TIP3 H2 10.3873411455 17.0983409140 39.0230392052 SOLV 2967 0.0000000000
|
|
9121 3169 TIP3 OH2 17.2029014330 17.2930752826 43.0359530945 SOLV 2968 0.0000000000
|
|
9122 3169 TIP3 H1 17.1686205892 16.4681639050 42.4800305293 SOLV 2968 0.0000000000
|
|
9123 3169 TIP3 H2 17.1282846719 17.9757867732 42.3225416869 SOLV 2968 0.0000000000
|
|
9124 3170 TIP3 OH2 3.7285367410 17.4859006497 38.4249675767 SOLV 2969 0.0000000000
|
|
9125 3170 TIP3 H1 3.5460920622 17.0745350334 39.2856420393 SOLV 2969 0.0000000000
|
|
9126 3170 TIP3 H2 4.4649778676 16.9029604152 38.1123852847 SOLV 2969 0.0000000000
|
|
9127 3171 TIP3 OH2 31.1407844062 10.1039123783 44.5526188102 SOLV 2970 0.0000000000
|
|
9128 3171 TIP3 H1 30.9303846781 11.0515588900 44.4286218735 SOLV 2970 0.0000000000
|
|
9129 3171 TIP3 H2 30.3581587396 9.7160232022 44.0967356713 SOLV 2970 0.0000000000
|
|
9130 3172 TIP3 OH2 29.6445913584 9.1746469023 48.5410986857 SOLV 2971 0.0000000000
|
|
9131 3172 TIP3 H1 29.7086854961 8.7817344250 49.4254454409 SOLV 2971 0.0000000000
|
|
9132 3172 TIP3 H2 29.1753352684 8.4451769183 48.0616994800 SOLV 2971 0.0000000000
|
|
9133 3173 TIP3 OH2 22.3435586768 9.2965826205 -0.3493961606 SOLV 2972 0.0000000000
|
|
9134 3173 TIP3 H1 21.8709843450 9.1100245414 0.4938163635 SOLV 2972 0.0000000000
|
|
9135 3173 TIP3 H2 23.0888607161 9.8472168347 -0.0317976585 SOLV 2972 0.0000000000
|
|
9136 3174 TIP3 OH2 33.4167158881 11.8965644112 46.3544377687 SOLV 2973 0.0000000000
|
|
9137 3174 TIP3 H1 33.2176987930 11.1707172569 46.9684456412 SOLV 2973 0.0000000000
|
|
9138 3174 TIP3 H2 33.6256725174 12.6167308922 46.9742192784 SOLV 2973 0.0000000000
|
|
9139 3175 TIP3 OH2 23.4676305228 13.5416818845 48.3284717828 SOLV 2974 0.0000000000
|
|
9140 3175 TIP3 H1 23.1299594624 12.6713256350 48.0204409534 SOLV 2974 0.0000000000
|
|
9141 3175 TIP3 H2 24.3380742260 13.5572531221 47.8805756456 SOLV 2974 0.0000000000
|
|
9142 3176 TIP3 OH2 19.6301560741 6.8293139443 43.2256927831 SOLV 2975 0.0000000000
|
|
9143 3176 TIP3 H1 19.3323485350 7.7284944151 43.4218235593 SOLV 2975 0.0000000000
|
|
9144 3176 TIP3 H2 19.0489575239 6.5951285729 42.4806228878 SOLV 2975 0.0000000000
|
|
9145 3177 TIP3 OH2 20.3520456653 8.9889142348 45.9592082442 SOLV 2976 0.0000000000
|
|
9146 3177 TIP3 H1 20.7002186577 8.0841104960 46.1056332588 SOLV 2976 0.0000000000
|
|
9147 3177 TIP3 H2 21.1211506490 9.5279643264 45.7041877508 SOLV 2976 0.0000000000
|
|
9148 3178 TIP3 OH2 30.8795754386 17.3531452543 46.9048750269 SOLV 2977 0.0000000000
|
|
9149 3178 TIP3 H1 31.3259057616 16.7281388528 46.2878368733 SOLV 2977 0.0000000000
|
|
9150 3178 TIP3 H2 30.5737167617 16.7553428224 47.5852938588 SOLV 2977 0.0000000000
|
|
9151 3179 TIP3 OH2 27.9382143539 11.8055288657 48.8060027355 SOLV 2978 0.0000000000
|
|
9152 3179 TIP3 H1 28.2043254381 10.9833582009 48.3630133138 SOLV 2978 0.0000000000
|
|
9153 3179 TIP3 H2 28.7803983941 11.9877961619 49.2830406809 SOLV 2978 0.0000000000
|
|
9154 3180 TIP3 OH2 37.7170828421 3.4747304789 49.1364297727 SOLV 2979 0.0000000000
|
|
9155 3180 TIP3 H1 37.5397884891 4.3235052399 48.7179820395 SOLV 2979 0.0000000000
|
|
9156 3180 TIP3 H2 38.4655134118 3.1401193145 48.5900104315 SOLV 2979 0.0000000000
|
|
9157 3181 TIP3 OH2 31.2973195960 6.3005089799 49.2475017692 SOLV 2980 0.0000000000
|
|
9158 3181 TIP3 H1 31.4262384616 5.3276663275 49.1910284402 SOLV 2980 0.0000000000
|
|
9159 3181 TIP3 H2 31.0552530350 6.4902275125 48.3349685299 SOLV 2980 0.0000000000
|
|
9160 3182 TIP3 OH2 25.0015826635 4.0741262252 46.2235855222 SOLV 2981 0.0000000000
|
|
9161 3182 TIP3 H1 24.9518286131 4.9046181750 45.7033154683 SOLV 2981 0.0000000000
|
|
9162 3182 TIP3 H2 24.6505751894 3.4453951292 45.5669826787 SOLV 2981 0.0000000000
|
|
9163 3183 TIP3 OH2 32.5754655465 4.3846003802 44.2520512585 SOLV 2982 0.0000000000
|
|
9164 3183 TIP3 H1 32.9044519226 4.1324713707 45.1441205752 SOLV 2982 0.0000000000
|
|
9165 3183 TIP3 H2 33.2417585968 5.0184770585 43.9545275994 SOLV 2982 0.0000000000
|
|
9166 3184 TIP3 OH2 20.8013753045 6.4472969109 46.6843390701 SOLV 2983 0.0000000000
|
|
9167 3184 TIP3 H1 21.5261614022 6.1051821370 47.2431556968 SOLV 2983 0.0000000000
|
|
9168 3184 TIP3 H2 21.1777039665 6.1569970413 45.8155474160 SOLV 2983 0.0000000000
|
|
9169 3185 TIP3 OH2 26.2470115080 8.1898566321 46.1509352359 SOLV 2984 0.0000000000
|
|
9170 3185 TIP3 H1 27.0200507904 7.7075521909 46.5052174256 SOLV 2984 0.0000000000
|
|
9171 3185 TIP3 H2 25.7353744712 7.4520555951 45.7742186461 SOLV 2984 0.0000000000
|
|
9172 3186 TIP3 OH2 30.3480640729 12.4807469549 43.4412978595 SOLV 2985 0.0000000000
|
|
9173 3186 TIP3 H1 30.2121893081 12.4216742019 42.4788394052 SOLV 2985 0.0000000000
|
|
9174 3186 TIP3 H2 30.1156911297 13.4268847629 43.6062696833 SOLV 2985 0.0000000000
|
|
9175 3187 TIP3 OH2 33.8001926745 3.8929156945 46.6117818182 SOLV 2986 0.0000000000
|
|
9176 3187 TIP3 H1 34.1043318388 3.0610801634 47.0364023229 SOLV 2986 0.0000000000
|
|
9177 3187 TIP3 H2 34.2740279158 4.5189175111 47.1820869043 SOLV 2986 0.0000000000
|
|
9178 3188 TIP3 OH2 22.8354027712 4.9668174269 47.8194293969 SOLV 2987 0.0000000000
|
|
9179 3188 TIP3 H1 23.3045819221 5.2839785312 48.6163491820 SOLV 2987 0.0000000000
|
|
9180 3188 TIP3 H2 23.5860370008 4.5685635877 47.3284618772 SOLV 2987 0.0000000000
|
|
9181 3189 TIP3 OH2 20.2617873291 12.6220704055 41.8384833167 SOLV 2988 0.0000000000
|
|
9182 3189 TIP3 H1 20.0907928420 13.1914363075 41.0649280489 SOLV 2988 0.0000000000
|
|
9183 3189 TIP3 H2 20.3655893928 13.2954663202 42.5497958508 SOLV 2988 0.0000000000
|
|
9184 3190 TIP3 OH2 33.7411971128 14.2151353244 48.0486903556 SOLV 2989 0.0000000000
|
|
9185 3190 TIP3 H1 32.8121338703 14.3406216503 48.2496191499 SOLV 2989 0.0000000000
|
|
9186 3190 TIP3 H2 34.0778892217 15.1172357039 48.1730891531 SOLV 2989 0.0000000000
|
|
9187 3191 TIP3 OH2 26.9977037834 1.0240959682 47.4573706348 SOLV 2990 0.0000000000
|
|
9188 3191 TIP3 H1 27.4639807007 0.2567495667 47.8760733938 SOLV 2990 0.0000000000
|
|
9189 3191 TIP3 H2 26.1259053664 0.9503769645 47.9044534156 SOLV 2990 0.0000000000
|
|
9190 3192 TIP3 OH2 32.1121467777 15.8444168094 45.0246940188 SOLV 2991 0.0000000000
|
|
9191 3192 TIP3 H1 32.5667722796 15.0347359966 44.6905315591 SOLV 2991 0.0000000000
|
|
9192 3192 TIP3 H2 32.8070832179 16.5290605065 44.8547876714 SOLV 2991 0.0000000000
|
|
9193 3193 TIP3 OH2 33.4450865270 13.7191654744 44.0253890337 SOLV 2992 0.0000000000
|
|
9194 3193 TIP3 H1 33.5436827280 13.0431611527 43.3180940275 SOLV 2992 0.0000000000
|
|
9195 3193 TIP3 H2 33.4400077974 13.1227023150 44.8085270573 SOLV 2992 0.0000000000
|
|
9196 3194 TIP3 OH2 29.6468121109 9.2850144525 42.4885644401 SOLV 2993 0.0000000000
|
|
9197 3194 TIP3 H1 29.0620905121 10.0047421238 42.1732275230 SOLV 2993 0.0000000000
|
|
9198 3194 TIP3 H2 30.3989381531 9.3168414050 41.8529460870 SOLV 2993 0.0000000000
|
|
9199 3195 TIP3 OH2 29.7461982416 8.2333699652 38.9441145695 SOLV 2994 0.0000000000
|
|
9200 3195 TIP3 H1 30.3324367548 8.5988192335 39.6361829185 SOLV 2994 0.0000000000
|
|
9201 3195 TIP3 H2 30.3780898826 7.6368858899 38.5026548941 SOLV 2994 0.0000000000
|
|
9202 3196 TIP3 OH2 33.3898808135 9.6458428779 43.0377951342 SOLV 2995 0.0000000000
|
|
9203 3196 TIP3 H1 32.6187088860 9.7764923563 43.6404695366 SOLV 2995 0.0000000000
|
|
9204 3196 TIP3 H2 33.9950372491 9.1149048909 43.6023869131 SOLV 2995 0.0000000000
|
|
9205 3197 TIP3 OH2 24.4579817575 9.9252134523 44.9517324841 SOLV 2996 0.0000000000
|
|
9206 3197 TIP3 H1 24.2665224371 9.5187483282 44.0816359662 SOLV 2996 0.0000000000
|
|
9207 3197 TIP3 H2 25.1983398149 9.3670430055 45.2865570633 SOLV 2996 0.0000000000
|
|
9208 3198 TIP3 OH2 25.8661229843 13.6117743038 47.2573398388 SOLV 2997 0.0000000000
|
|
9209 3198 TIP3 H1 25.9109221293 13.6224954036 46.2757919743 SOLV 2997 0.0000000000
|
|
9210 3198 TIP3 H2 26.4981842478 12.9312759556 47.5328993190 SOLV 2997 0.0000000000
|
|
9211 3199 TIP3 OH2 25.5945436719 8.6977753251 48.8139390157 SOLV 2998 0.0000000000
|
|
9212 3199 TIP3 H1 25.7271198725 8.7102987024 47.8410657404 SOLV 2998 0.0000000000
|
|
9213 3199 TIP3 H2 25.4336029655 9.6310752438 49.0432837921 SOLV 2998 0.0000000000
|
|
9214 3200 TIP3 OH2 31.1864287604 14.8504711611 49.7140677320 SOLV 2999 0.0000000000
|
|
9215 3200 TIP3 H1 31.9718167046 15.0339738931 50.2694144453 SOLV 2999 0.0000000000
|
|
9216 3200 TIP3 H2 30.9716600804 13.9242802056 49.9188157725 SOLV 2999 0.0000000000
|
|
9217 3201 TIP3 OH2 31.8795910455 8.8917316491 40.8174329760 SOLV 3000 0.0000000000
|
|
9218 3201 TIP3 H1 32.5476991656 9.1826453473 41.4829229209 SOLV 3000 0.0000000000
|
|
9219 3201 TIP3 H2 32.3187136858 9.1628151855 39.9661234139 SOLV 3000 0.0000000000
|
|
9220 3202 TIP3 OH2 29.6359018983 15.2337425384 43.9037199438 SOLV 3001 0.0000000000
|
|
9221 3202 TIP3 H1 30.4213233001 15.4581678122 44.4337767028 SOLV 3001 0.0000000000
|
|
9222 3202 TIP3 H2 29.2111484111 16.0920187412 43.7796855497 SOLV 3001 0.0000000000
|
|
9223 3203 TIP3 OH2 35.2089993344 0.6821020584 39.6509534241 SOLV 3002 0.0000000000
|
|
9224 3203 TIP3 H1 34.6104609646 0.9225278223 40.3807714533 SOLV 3002 0.0000000000
|
|
9225 3203 TIP3 H2 35.8637717053 1.3987706387 39.7279852113 SOLV 3002 0.0000000000
|
|
9226 3204 TIP3 OH2 23.6431181986 9.0186205255 42.4060570523 SOLV 3003 0.0000000000
|
|
9227 3204 TIP3 H1 23.1542568707 9.8151713954 42.1338673222 SOLV 3003 0.0000000000
|
|
9228 3204 TIP3 H2 23.1082149976 8.2929175656 42.0635674835 SOLV 3003 0.0000000000
|
|
9229 3205 TIP3 OH2 36.7866857000 14.5941339214 39.1273945791 SOLV 3004 0.0000000000
|
|
9230 3205 TIP3 H1 37.0093347206 15.5471062598 39.0870793516 SOLV 3004 0.0000000000
|
|
9231 3205 TIP3 H2 37.6900394343 14.2562350876 39.3103203380 SOLV 3004 0.0000000000
|
|
9232 3206 TIP3 OH2 19.7276054039 14.5615607115 48.1270054111 SOLV 3005 0.0000000000
|
|
9233 3206 TIP3 H1 20.5918340647 14.6402470184 48.5471683768 SOLV 3005 0.0000000000
|
|
9234 3206 TIP3 H2 19.1960902092 15.2266125280 48.5860956320 SOLV 3005 0.0000000000
|
|
9235 3207 TIP3 OH2 29.5186607748 18.0814302037 42.7473612156 SOLV 3006 0.0000000000
|
|
9236 3207 TIP3 H1 29.3214552847 17.9892522261 41.8001511900 SOLV 3006 0.0000000000
|
|
9237 3207 TIP3 H2 29.1240341027 18.9601842133 42.9432590341 SOLV 3006 0.0000000000
|
|
9238 3208 TIP3 OH2 22.8603655825 16.9071734779 44.7788130460 SOLV 3007 0.0000000000
|
|
9239 3208 TIP3 H1 22.9871416649 16.5616488138 45.6930237150 SOLV 3007 0.0000000000
|
|
9240 3208 TIP3 H2 22.3108733314 16.2019701480 44.3903479658 SOLV 3007 0.0000000000
|
|
9241 3209 TIP3 OH2 32.3043743981 17.6363686027 39.4975566389 SOLV 3008 0.0000000000
|
|
9242 3209 TIP3 H1 32.7233200870 16.7872343042 39.2073084724 SOLV 3008 0.0000000000
|
|
9243 3209 TIP3 H2 32.3771741885 17.5819980603 40.4690400686 SOLV 3008 0.0000000000
|
|
9244 3210 TIP3 OH2 32.0417746188 17.4760350905 42.2090725220 SOLV 3009 0.0000000000
|
|
9245 3210 TIP3 H1 31.1251325590 17.6812690742 42.5122142905 SOLV 3009 0.0000000000
|
|
9246 3210 TIP3 H2 32.3066280860 16.7976472211 42.8563057522 SOLV 3009 0.0000000000
|
|
9247 3211 TIP3 OH2 24.7823075344 0.9829482548 49.1288744335 SOLV 3010 0.0000000000
|
|
9248 3211 TIP3 H1 23.9833769176 1.1482048716 48.5759698750 SOLV 3010 0.0000000000
|
|
9249 3211 TIP3 H2 24.9211899884 1.8796039620 49.4665759727 SOLV 3010 0.0000000000
|
|
9250 3212 TIP3 OH2 32.9400523657 9.4330972648 38.4293434232 SOLV 3011 0.0000000000
|
|
9251 3212 TIP3 H1 32.9158976262 9.4109465053 37.4561162980 SOLV 3011 0.0000000000
|
|
9252 3212 TIP3 H2 33.9105412674 9.5503192558 38.5336045104 SOLV 3011 0.0000000000
|
|
9253 3213 TIP3 OH2 29.0010002981 3.3667271258 39.4638433386 SOLV 3012 0.0000000000
|
|
9254 3213 TIP3 H1 28.4165796733 3.2213425567 40.2295400997 SOLV 3012 0.0000000000
|
|
9255 3213 TIP3 H2 28.5626527699 2.7829568172 38.8018494671 SOLV 3012 0.0000000000
|
|
9256 3214 TIP3 OH2 24.2918752374 6.5421820907 49.7559436345 SOLV 3013 0.0000000000
|
|
9257 3214 TIP3 H1 23.4371062913 6.9950266244 49.8092414733 SOLV 3013 0.0000000000
|
|
9258 3214 TIP3 H2 24.8374935093 7.2537812644 49.3302418262 SOLV 3013 0.0000000000
|
|
9259 3215 TIP3 OH2 24.5986655373 6.2997341553 44.7074495728 SOLV 3014 0.0000000000
|
|
9260 3215 TIP3 H1 23.6449957258 6.1584327831 44.5635462583 SOLV 3014 0.0000000000
|
|
9261 3215 TIP3 H2 24.9614562224 6.1677413228 43.8052142809 SOLV 3014 0.0000000000
|
|
9262 3216 TIP3 OH2 30.3443226961 6.8034837306 43.3701168661 SOLV 3015 0.0000000000
|
|
9263 3216 TIP3 H1 29.9919030065 7.6398657065 42.9831191739 SOLV 3015 0.0000000000
|
|
9264 3216 TIP3 H2 30.8767170379 6.4604659649 42.6350557989 SOLV 3015 0.0000000000
|
|
9265 3217 TIP3 OH2 31.0300409821 6.3160479985 46.1620717229 SOLV 3016 0.0000000000
|
|
9266 3217 TIP3 H1 30.7624255287 6.6740305292 45.2970231830 SOLV 3016 0.0000000000
|
|
9267 3217 TIP3 H2 31.4091577475 5.4732606449 45.8765982645 SOLV 3016 0.0000000000
|
|
9268 3218 TIP3 OH2 25.3536222720 3.5264610571 37.9880159239 SOLV 3017 0.0000000000
|
|
9269 3218 TIP3 H1 25.1300676680 3.5480299472 38.9512449032 SOLV 3017 0.0000000000
|
|
9270 3218 TIP3 H2 24.9692352623 4.3655326188 37.6760869595 SOLV 3017 0.0000000000
|
|
9271 3219 TIP3 OH2 19.2567497619 3.6634290619 45.4375111558 SOLV 3018 0.0000000000
|
|
9272 3219 TIP3 H1 19.9032695850 3.5170140920 46.1652026399 SOLV 3018 0.0000000000
|
|
9273 3219 TIP3 H2 19.6887590916 4.3059333942 44.8653205635 SOLV 3018 0.0000000000
|
|
9274 3220 TIP3 OH2 19.6682278856 4.5050371898 40.7828321766 SOLV 3019 0.0000000000
|
|
9275 3220 TIP3 H1 20.2555951794 4.9551726485 40.1358820041 SOLV 3019 0.0000000000
|
|
9276 3220 TIP3 H2 18.9743994343 5.1907744154 40.9207330974 SOLV 3019 0.0000000000
|
|
9277 3221 TIP3 OH2 27.8856149211 4.1870110345 45.5884494520 SOLV 3020 0.0000000000
|
|
9278 3221 TIP3 H1 27.0128253955 4.0687450332 46.0010705031 SOLV 3020 0.0000000000
|
|
9279 3221 TIP3 H2 28.4196924981 3.6731848179 46.2361380536 SOLV 3020 0.0000000000
|
|
9280 3222 TIP3 OH2 21.9640772524 5.7179224670 44.4049710139 SOLV 3021 0.0000000000
|
|
9281 3222 TIP3 H1 21.2908513218 5.9644703215 43.7247575207 SOLV 3021 0.0000000000
|
|
9282 3222 TIP3 H2 22.3299498789 4.8890560161 44.0359881190 SOLV 3021 0.0000000000
|
|
9283 3223 TIP3 OH2 25.3339919297 5.5012298635 42.0403751822 SOLV 3022 0.0000000000
|
|
9284 3223 TIP3 H1 26.3073578715 5.5920068597 42.1135436938 SOLV 3022 0.0000000000
|
|
9285 3223 TIP3 H2 25.1363007146 6.0917678579 41.2892681371 SOLV 3022 0.0000000000
|
|
9286 3224 TIP3 OH2 31.3950416269 3.5858652571 48.9837833489 SOLV 3023 0.0000000000
|
|
9287 3224 TIP3 H1 31.3586598047 2.9317266554 49.6848121729 SOLV 3023 0.0000000000
|
|
9288 3224 TIP3 H2 30.6907283285 3.2984173760 48.3733034140 SOLV 3023 0.0000000000
|
|
9289 3225 TIP3 OH2 24.9722698990 6.8132713123 39.6606912660 SOLV 3024 0.0000000000
|
|
9290 3225 TIP3 H1 24.5849296414 6.3717558536 38.8885520858 SOLV 3024 0.0000000000
|
|
9291 3225 TIP3 H2 25.7117636423 7.2809565863 39.2286767485 SOLV 3024 0.0000000000
|
|
9292 3226 TIP3 OH2 28.4060827108 6.9504686624 47.4739110525 SOLV 3025 0.0000000000
|
|
9293 3226 TIP3 H1 29.0980687795 6.4217857502 47.0475268583 SOLV 3025 0.0000000000
|
|
9294 3226 TIP3 H2 28.0724186225 6.3256457547 48.1537056968 SOLV 3025 0.0000000000
|
|
9295 3227 TIP3 OH2 23.3550819785 3.2466182367 44.0402483458 SOLV 3026 0.0000000000
|
|
9296 3227 TIP3 H1 22.8284265047 2.5103589047 44.3972977317 SOLV 3026 0.0000000000
|
|
9297 3227 TIP3 H2 24.0494607083 2.7411663318 43.5943703139 SOLV 3026 0.0000000000
|
|
9298 3228 TIP3 OH2 27.5887280967 5.2100608085 49.3094608032 SOLV 3027 0.0000000000
|
|
9299 3228 TIP3 H1 26.8211830462 4.6255868322 49.4105925214 SOLV 3027 0.0000000000
|
|
9300 3228 TIP3 H2 28.0704436287 5.0624977515 50.1543457192 SOLV 3027 0.0000000000
|
|
9301 3229 TIP3 OH2 27.8026606524 11.1829576949 41.7264018114 SOLV 3028 0.0000000000
|
|
9302 3229 TIP3 H1 27.0835366564 10.8378424453 41.1571559531 SOLV 3028 0.0000000000
|
|
9303 3229 TIP3 H2 27.2553477529 11.5412991314 42.4653777868 SOLV 3028 0.0000000000
|
|
9304 3230 TIP3 OH2 31.3576490638 3.9534241773 40.3391266304 SOLV 3029 0.0000000000
|
|
9305 3230 TIP3 H1 30.4524291658 3.9841604379 39.9405518779 SOLV 3029 0.0000000000
|
|
9306 3230 TIP3 H2 31.6027281185 4.8992626537 40.4271348254 SOLV 3029 0.0000000000
|
|
9307 3231 TIP3 OH2 32.1895554770 6.2320562380 41.2927739334 SOLV 3030 0.0000000000
|
|
9308 3231 TIP3 H1 33.0822301480 6.2246800329 41.6805381421 SOLV 3030 0.0000000000
|
|
9309 3231 TIP3 H2 32.1739677135 7.0572705273 40.7826446941 SOLV 3030 0.0000000000
|
|
9310 3232 TIP3 OH2 23.0529800827 10.9638734979 47.2988756555 SOLV 3031 0.0000000000
|
|
9311 3232 TIP3 H1 23.4004444333 10.6542768050 46.4364323363 SOLV 3031 0.0000000000
|
|
9312 3232 TIP3 H2 22.9851183336 10.1609644104 47.8265829758 SOLV 3031 0.0000000000
|
|
9313 3233 TIP3 OH2 29.7932061685 12.6273425521 40.6910132901 SOLV 3032 0.0000000000
|
|
9314 3233 TIP3 H1 29.4601921438 13.5331828463 40.9043905384 SOLV 3032 0.0000000000
|
|
9315 3233 TIP3 H2 29.0803752672 12.0552091011 41.0482088988 SOLV 3032 0.0000000000
|
|
9316 3234 TIP3 OH2 36.7658830350 6.5735752708 41.0268185376 SOLV 3033 0.0000000000
|
|
9317 3234 TIP3 H1 36.2438676753 6.3392749778 40.2106781395 SOLV 3033 0.0000000000
|
|
9318 3234 TIP3 H2 37.0303109295 7.4976238533 40.7919407281 SOLV 3033 0.0000000000
|
|
9319 3235 TIP3 OH2 35.3180594428 15.1966532532 41.5326506844 SOLV 3034 0.0000000000
|
|
9320 3235 TIP3 H1 34.9014623033 14.4652543492 42.0016486130 SOLV 3034 0.0000000000
|
|
9321 3235 TIP3 H2 35.7434368915 14.7818675789 40.7592012321 SOLV 3034 0.0000000000
|
|
9322 3236 TIP3 OH2 32.4560303556 9.6265875704 48.2717476811 SOLV 3035 0.0000000000
|
|
9323 3236 TIP3 H1 31.5678720466 9.7359963174 47.8933866293 SOLV 3035 0.0000000000
|
|
9324 3236 TIP3 H2 32.8123618166 8.8673909771 47.7601627337 SOLV 3035 0.0000000000
|
|
9325 3237 TIP3 OH2 25.2697466414 14.3281822405 44.6770478598 SOLV 3036 0.0000000000
|
|
9326 3237 TIP3 H1 25.6472273736 15.2161304599 44.5803716833 SOLV 3036 0.0000000000
|
|
9327 3237 TIP3 H2 24.3880299497 14.4713366102 44.2974208979 SOLV 3036 0.0000000000
|
|
9328 3238 TIP3 OH2 21.2092973997 9.0274364559 39.4855700088 SOLV 3037 0.0000000000
|
|
9329 3238 TIP3 H1 21.6538449206 9.5417697407 40.1869709651 SOLV 3037 0.0000000000
|
|
9330 3238 TIP3 H2 20.2727394531 9.0373077146 39.7846900278 SOLV 3037 0.0000000000
|
|
9331 3239 TIP3 OH2 26.1632613462 12.0092771112 43.7026125135 SOLV 3038 0.0000000000
|
|
9332 3239 TIP3 H1 25.9001046188 12.8691330030 44.0838212234 SOLV 3038 0.0000000000
|
|
9333 3239 TIP3 H2 25.6972156580 11.3828364352 44.2794257803 SOLV 3038 0.0000000000
|
|
9334 3240 TIP3 OH2 25.4164326278 16.8537954791 43.7295166599 SOLV 3039 0.0000000000
|
|
9335 3240 TIP3 H1 24.5347205434 17.0005975143 44.1357834859 SOLV 3039 0.0000000000
|
|
9336 3240 TIP3 H2 25.8538248139 17.6876467178 44.0128127051 SOLV 3039 0.0000000000
|
|
9337 3241 TIP3 OH2 33.2322507149 13.2341863244 39.7279812498 SOLV 3040 0.0000000000
|
|
9338 3241 TIP3 H1 33.4929621325 12.8444645841 40.5916034433 SOLV 3040 0.0000000000
|
|
9339 3241 TIP3 H2 32.2912103079 12.9567739427 39.6599961275 SOLV 3040 0.0000000000
|
|
9340 3242 TIP3 OH2 37.4774523805 17.4316544751 39.6420937985 SOLV 3041 0.0000000000
|
|
9341 3242 TIP3 H1 37.9771949300 18.2061556868 39.3364792658 SOLV 3041 0.0000000000
|
|
9342 3242 TIP3 H2 36.7029647508 17.8892560495 40.0487512553 SOLV 3041 0.0000000000
|
|
9343 3243 TIP3 OH2 34.1060344544 11.8821597816 41.8529549827 SOLV 3042 0.0000000000
|
|
9344 3243 TIP3 H1 33.8282546445 11.0270931666 42.2571900641 SOLV 3042 0.0000000000
|
|
9345 3243 TIP3 H2 35.0551171935 11.7297061586 41.7113745143 SOLV 3042 0.0000000000
|
|
9346 3244 TIP3 OH2 26.9381915647 14.3835383279 38.0716753119 SOLV 3043 0.0000000000
|
|
9347 3244 TIP3 H1 27.0205248041 13.6736229434 37.4176645220 SOLV 3043 0.0000000000
|
|
9348 3244 TIP3 H2 26.4362468387 13.9239143515 38.7724161069 SOLV 3043 0.0000000000
|
|
9349 3245 TIP3 OH2 25.6360247033 13.7237933802 40.5096869365 SOLV 3044 0.0000000000
|
|
9350 3245 TIP3 H1 26.3661689330 13.3331211451 41.0212824190 SOLV 3044 0.0000000000
|
|
9351 3245 TIP3 H2 25.7713742772 14.6774999391 40.7408623846 SOLV 3044 0.0000000000
|
|
9352 3246 TIP3 OH2 22.1823985102 10.9274433944 41.0563558524 SOLV 3045 0.0000000000
|
|
9353 3246 TIP3 H1 21.3680339569 11.4177245506 41.3241155278 SOLV 3045 0.0000000000
|
|
9354 3246 TIP3 H2 22.6429316275 11.6069396516 40.5170493642 SOLV 3045 0.0000000000
|
|
9355 3247 TIP3 OH2 30.9951522721 2.8689676083 42.7875139579 SOLV 3046 0.0000000000
|
|
9356 3247 TIP3 H1 31.0512850740 3.2818311223 41.8956474379 SOLV 3046 0.0000000000
|
|
9357 3247 TIP3 H2 31.6029379560 3.4611066116 43.2967384496 SOLV 3046 0.0000000000
|
|
9358 3248 TIP3 OH2 28.7456839043 15.1769566070 40.9632794217 SOLV 3047 0.0000000000
|
|
9359 3248 TIP3 H1 27.8936673578 15.5703204770 41.2386070579 SOLV 3047 0.0000000000
|
|
9360 3248 TIP3 H2 29.2348075003 15.9753556115 40.7203308469 SOLV 3047 0.0000000000
|
|
9361 3249 TIP3 OH2 27.8140950831 5.2508240831 43.1601358008 SOLV 3048 0.0000000000
|
|
9362 3249 TIP3 H1 28.6384080279 5.7571884693 43.2472379639 SOLV 3048 0.0000000000
|
|
9363 3249 TIP3 H2 27.7473378954 4.8572532584 44.0583979517 SOLV 3048 0.0000000000
|
|
9364 3250 TIP3 OH2 28.7027481142 2.1230091055 43.8269372233 SOLV 3049 0.0000000000
|
|
9365 3250 TIP3 H1 28.7211955571 2.9015839231 44.4084038181 SOLV 3049 0.0000000000
|
|
9366 3250 TIP3 H2 29.5570608160 2.2365121537 43.3427086812 SOLV 3049 0.0000000000
|
|
9367 3251 TIP3 OH2 26.1978871311 16.1772032595 41.2511717944 SOLV 3050 0.0000000000
|
|
9368 3251 TIP3 H1 26.2772593294 17.0481823661 40.8017185308 SOLV 3050 0.0000000000
|
|
9369 3251 TIP3 H2 25.8059060356 16.4683844846 42.1088684475 SOLV 3050 0.0000000000
|
|
9370 3252 TIP3 OH2 24.7924317396 3.2291159400 40.5713020914 SOLV 3051 0.0000000000
|
|
9371 3252 TIP3 H1 24.5929448768 3.9333006091 41.2251698323 SOLV 3051 0.0000000000
|
|
9372 3252 TIP3 H2 25.6855218802 2.9832498312 40.9118369578 SOLV 3051 0.0000000000
|
|
9373 3253 TIP3 OH2 33.4225940810 7.5113074499 46.8494456793 SOLV 3052 0.0000000000
|
|
9374 3253 TIP3 H1 32.5507989635 7.0712130166 46.8213741583 SOLV 3052 0.0000000000
|
|
9375 3253 TIP3 H2 33.9569282467 6.9233981557 47.4277487198 SOLV 3052 0.0000000000
|
|
9376 3254 TIP3 OH2 23.1734781557 12.9629758197 39.4206682603 SOLV 3053 0.0000000000
|
|
9377 3254 TIP3 H1 23.9661411146 13.3310250938 39.8883051109 SOLV 3053 0.0000000000
|
|
9378 3254 TIP3 H2 23.6345390576 12.4077591319 38.7384358529 SOLV 3053 0.0000000000
|
|
9379 3255 TIP3 OH2 20.9305805411 6.3161868798 38.9031381066 SOLV 3054 0.0000000000
|
|
9380 3255 TIP3 H1 21.3228628111 7.1845932361 39.1267958303 SOLV 3054 0.0000000000
|
|
9381 3255 TIP3 H2 20.6006833685 6.4770009449 38.0064514057 SOLV 3054 0.0000000000
|
|
9382 3256 TIP3 OH2 34.8730767011 17.1307935653 48.8524333492 SOLV 3055 0.0000000000
|
|
9383 3256 TIP3 H1 34.8108878726 17.7913533975 48.1216905127 SOLV 3055 0.0000000000
|
|
9384 3256 TIP3 H2 35.8325020283 16.9585862065 48.8178582154 SOLV 3055 0.0000000000
|
|
9385 3257 TIP3 OH2 22.6801540990 1.0389272430 47.5478474968 SOLV 3056 0.0000000000
|
|
9386 3257 TIP3 H1 22.4203773737 1.2199754672 46.6209858591 SOLV 3056 0.0000000000
|
|
9387 3257 TIP3 H2 22.6397897737 0.0544828442 47.5265736942 SOLV 3056 0.0000000000
|
|
9388 3258 TIP3 OH2 20.7771393308 15.0823617921 43.5727676065 SOLV 3057 0.0000000000
|
|
9389 3258 TIP3 H1 20.1946228832 15.5700777354 44.1742257017 SOLV 3057 0.0000000000
|
|
9390 3258 TIP3 H2 20.7613637605 15.6811921881 42.7977199282 SOLV 3057 0.0000000000
|
|
9391 3259 TIP3 OH2 28.9834152003 16.1266343876 37.7286818361 SOLV 3058 0.0000000000
|
|
9392 3259 TIP3 H1 28.3887107945 15.3974945306 37.9993387131 SOLV 3058 0.0000000000
|
|
9393 3259 TIP3 H2 29.7509510831 15.6207985305 37.3654023583 SOLV 3058 0.0000000000
|
|
9394 3260 TIP3 OH2 33.5374609445 15.5436660635 38.2131141129 SOLV 3059 0.0000000000
|
|
9395 3260 TIP3 H1 33.6395138644 14.7043744995 38.7256541390 SOLV 3059 0.0000000000
|
|
9396 3260 TIP3 H2 34.3233430934 15.5215607118 37.6470195203 SOLV 3059 0.0000000000
|
|
9397 3261 TIP3 OH2 24.6196173385 11.3167430033 37.9461528371 SOLV 3060 0.0000000000
|
|
9398 3261 TIP3 H1 24.9153883046 10.8604480850 38.7460082375 SOLV 3060 0.0000000000
|
|
9399 3261 TIP3 H2 25.4788384891 11.3235405426 37.4437870212 SOLV 3060 0.0000000000
|
|
9400 3262 TIP3 OH2 30.3836375528 12.8269649540 38.0069152819 SOLV 3061 0.0000000000
|
|
9401 3262 TIP3 H1 29.9604806712 12.7820926337 38.8858452981 SOLV 3061 0.0000000000
|
|
9402 3262 TIP3 H2 30.3141182703 11.8829790303 37.7432116363 SOLV 3061 0.0000000000
|
|
9403 3263 TIP3 OH2 25.6911707904 10.0777573530 40.3684208274 SOLV 3062 0.0000000000
|
|
9404 3263 TIP3 H1 25.0765162209 9.5249093107 40.8856656302 SOLV 3062 0.0000000000
|
|
9405 3263 TIP3 H2 26.1501378636 9.4020963932 39.8307617536 SOLV 3062 0.0000000000
|
|
9406 3264 TIP3 OH2 26.9843027937 8.2319439843 38.6057692623 SOLV 3063 0.0000000000
|
|
9407 3264 TIP3 H1 27.1161450982 8.4867830161 37.6774986807 SOLV 3063 0.0000000000
|
|
9408 3264 TIP3 H2 27.9209704783 8.1096519879 38.9037764203 SOLV 3063 0.0000000000
|
|
9409 3265 TIP3 OH2 35.6989429704 9.9498974695 38.3976840157 SOLV 3064 0.0000000000
|
|
9410 3265 TIP3 H1 35.9332335988 9.7714952387 37.4585554201 SOLV 3064 0.0000000000
|
|
9411 3265 TIP3 H2 35.6496881004 10.9397635311 38.3572446708 SOLV 3064 0.0000000000
|
|
9412 3266 TIP3 OH2 26.8451673401 18.6686412904 40.1009438719 SOLV 3065 0.0000000000
|
|
9413 3266 TIP3 H1 27.7382270069 18.3408435676 39.9063993041 SOLV 3065 0.0000000000
|
|
9414 3266 TIP3 H2 26.8484518116 19.4517059634 39.5283988481 SOLV 3065 0.0000000000
|
|
9415 3267 TIP3 OH2 20.3995134898 13.4690717705 39.2295302267 SOLV 3066 0.0000000000
|
|
9416 3267 TIP3 H1 21.3660224762 13.3357541656 39.3050535071 SOLV 3066 0.0000000000
|
|
9417 3267 TIP3 H2 20.2134789676 12.8708865389 38.4698023002 SOLV 3066 0.0000000000
|
|
9418 3268 TIP3 OH2 19.2622824149 18.6007761262 44.5782750782 SOLV 3067 0.0000000000
|
|
9419 3268 TIP3 H1 18.5851160894 18.2038560290 43.9998184687 SOLV 3067 0.0000000000
|
|
9420 3268 TIP3 H2 19.4965239227 17.8099540095 45.1038133431 SOLV 3067 0.0000000000
|
|
9421 3269 TIP3 OH2 19.9854911769 16.4305002633 46.0794442164 SOLV 3068 0.0000000000
|
|
9422 3269 TIP3 H1 19.6447571254 15.6716093441 46.5840060357 SOLV 3068 0.0000000000
|
|
9423 3269 TIP3 H2 20.4776121677 16.9083908273 46.7699235664 SOLV 3068 0.0000000000
|
|
9424 3270 TIP3 OH2 37.7099903279 16.9456968088 49.1784923744 SOLV 3069 0.0000000000
|
|
9425 3270 TIP3 H1 37.7001446340 17.3331805376 50.0810293842 SOLV 3069 0.0000000000
|
|
9426 3270 TIP3 H2 38.5294572443 17.3307888607 48.8298917120 SOLV 3069 0.0000000000
|
|
9427 3271 TIP3 OH2 36.9115897291 11.1628249519 41.8805786033 SOLV 3070 0.0000000000
|
|
9428 3271 TIP3 H1 37.6476059242 11.7772197756 42.0946257822 SOLV 3070 0.0000000000
|
|
9429 3271 TIP3 H2 36.8890907617 10.6124402215 42.6838061144 SOLV 3070 0.0000000000
|
|
9430 3272 TIP3 OH2 37.1218995846 9.1143945392 44.1594382038 SOLV 3071 0.0000000000
|
|
9431 3272 TIP3 H1 36.3228569301 8.5735824392 44.3699301105 SOLV 3071 0.0000000000
|
|
9432 3272 TIP3 H2 37.6681143082 9.0337919651 44.9827572709 SOLV 3071 0.0000000000
|
|
9433 3273 TIP3 OH2 37.9312607803 12.2232506293 49.5565710775 SOLV 3072 0.0000000000
|
|
9434 3273 TIP3 H1 38.0803428993 11.4935284134 48.9417700903 SOLV 3072 0.0000000000
|
|
9435 3273 TIP3 H2 37.9202233876 13.0173249768 48.9789196140 SOLV 3072 0.0000000000
|
|
9436 3274 TIP3 OH2 37.4440733405 9.0672956316 40.2245187319 SOLV 3073 0.0000000000
|
|
9437 3274 TIP3 H1 36.7473229091 9.2983020828 39.5626103118 SOLV 3073 0.0000000000
|
|
9438 3274 TIP3 H2 37.3488237766 9.8402350640 40.8238514023 SOLV 3073 0.0000000000
|
|
9439 3275 TIP3 OH2 35.4778218933 6.2936882445 38.6735438412 SOLV 3074 0.0000000000
|
|
9440 3275 TIP3 H1 35.5920644158 6.8516514195 37.8931125204 SOLV 3074 0.0000000000
|
|
9441 3275 TIP3 H2 35.2916894010 5.4289682189 38.2421530672 SOLV 3074 0.0000000000
|
|
9442 3276 TIP3 OH2 34.8138214619 7.8874183825 44.5592032114 SOLV 3075 0.0000000000
|
|
9443 3276 TIP3 H1 34.5636516229 7.1163369271 44.0285453485 SOLV 3075 0.0000000000
|
|
9444 3276 TIP3 H2 34.3639038107 7.7469449780 45.4238633618 SOLV 3075 0.0000000000
|
|
9445 3277 TIP3 OH2 19.6339889933 9.4431721086 48.6093119890 SOLV 3076 0.0000000000
|
|
9446 3277 TIP3 H1 19.7932897362 9.4368305947 47.6551574903 SOLV 3076 0.0000000000
|
|
9447 3277 TIP3 H2 20.5682362490 9.4988297052 48.9284960259 SOLV 3076 0.0000000000
|
|
9448 3278 TIP3 OH2 34.8923826912 3.8211335715 37.5987685048 SOLV 3077 0.0000000000
|
|
9449 3278 TIP3 H1 35.4329026105 3.3866680202 38.2885292309 SOLV 3077 0.0000000000
|
|
9450 3278 TIP3 H2 34.0075645150 3.4409381739 37.7529449872 SOLV 3077 0.0000000000
|
|
9451 3279 TIP3 OH2 34.7188484188 5.6581421836 42.7498709656 SOLV 3078 0.0000000000
|
|
9452 3279 TIP3 H1 35.0056316104 4.7476857143 42.9626951594 SOLV 3078 0.0000000000
|
|
9453 3279 TIP3 H2 35.4711605731 5.9404395857 42.1884678165 SOLV 3078 0.0000000000
|
|
9454 3280 TIP3 OH2 35.0250256675 5.8150540148 48.2896255678 SOLV 3079 0.0000000000
|
|
9455 3280 TIP3 H1 35.9601471116 6.0838451316 48.2626599200 SOLV 3079 0.0000000000
|
|
9456 3280 TIP3 H2 35.0409153453 5.1424019464 49.0063327427 SOLV 3079 0.0000000000
|
|
9457 3281 TIP3 OH2 35.5501867131 3.0343350550 43.0061149590 SOLV 3080 0.0000000000
|
|
9458 3281 TIP3 H1 35.5473339741 2.4704905425 43.8017211721 SOLV 3080 0.0000000000
|
|
9459 3281 TIP3 H2 34.8932271733 2.5692837057 42.4460391564 SOLV 3080 0.0000000000
|
|
9460 3282 TIP3 OH2 20.8533357666 3.0075763560 47.4755365371 SOLV 3081 0.0000000000
|
|
9461 3282 TIP3 H1 21.5288130201 2.3172828376 47.6376674825 SOLV 3081 0.0000000000
|
|
9462 3282 TIP3 H2 21.3573340242 3.8308058654 47.6444223271 SOLV 3081 0.0000000000
|
|
9463 3283 TIP3 OH2 18.6915503923 6.5891823782 48.2900740095 SOLV 3082 0.0000000000
|
|
9464 3283 TIP3 H1 19.4097195907 6.5172996474 47.6310423600 SOLV 3082 0.0000000000
|
|
9465 3283 TIP3 H2 18.8101714069 7.5178559835 48.5587111399 SOLV 3082 0.0000000000
|
|
9466 3284 TIP3 OH2 36.8206021400 2.8049113037 39.5774469957 SOLV 3083 0.0000000000
|
|
9467 3284 TIP3 H1 37.3345749022 2.1649206303 39.0383122642 SOLV 3083 0.0000000000
|
|
9468 3284 TIP3 H2 37.5223912765 3.3563314626 39.9847285519 SOLV 3083 0.0000000000
|
|
9469 3285 TIP3 OH2 19.3347847924 2.3510044772 42.3888691003 SOLV 3084 0.0000000000
|
|
9470 3285 TIP3 H1 18.4089560543 2.5798969027 42.6326739863 SOLV 3084 0.0000000000
|
|
9471 3285 TIP3 H2 19.5942525471 3.1873901094 41.9454468324 SOLV 3084 0.0000000000
|
|
9472 3286 TIP3 OH2 33.9518616735 17.6117201071 44.5539166934 SOLV 3085 0.0000000000
|
|
9473 3286 TIP3 H1 34.7970041419 17.6819889988 44.0535076525 SOLV 3085 0.0000000000
|
|
9474 3286 TIP3 H2 34.1754879248 18.1224986013 45.3603189292 SOLV 3085 0.0000000000
|
|
9475 3287 TIP3 OH2 29.2080259950 19.7868897891 49.3903704046 SOLV 3086 0.0000000000
|
|
9476 3287 TIP3 H1 28.4067423898 19.4174314903 48.9492055878 SOLV 3086 0.0000000000
|
|
9477 3287 TIP3 H2 29.4765357940 19.0193490772 49.9238196215 SOLV 3086 0.0000000000
|
|
9478 3288 TIP3 OH2 21.4660194898 17.6042775097 48.1877268986 SOLV 3087 0.0000000000
|
|
9479 3288 TIP3 H1 21.6301192553 17.5260171528 49.1673366940 SOLV 3087 0.0000000000
|
|
9480 3288 TIP3 H2 22.2740994841 17.1119178537 47.8487935673 SOLV 3087 0.0000000000
|
|
9481 3289 TIP3 OH2 23.4204175600 15.9753026357 47.2672092807 SOLV 3088 0.0000000000
|
|
9482 3289 TIP3 H1 23.3078305173 15.0515285393 47.6022520233 SOLV 3088 0.0000000000
|
|
9483 3289 TIP3 H2 24.3530762501 16.1094018891 47.5627964070 SOLV 3088 0.0000000000
|
|
9484 3290 TIP3 OH2 25.9340544956 16.1772732624 48.0451960728 SOLV 3089 0.0000000000
|
|
9485 3290 TIP3 H1 26.1150717155 15.2520061155 47.7716941633 SOLV 3089 0.0000000000
|
|
9486 3290 TIP3 H2 26.2114782053 16.1214163210 48.9731679580 SOLV 3089 0.0000000000
|
|
9487 3291 TIP3 OH2 29.2353078241 2.6575105558 47.3829660530 SOLV 3090 0.0000000000
|
|
9488 3291 TIP3 H1 28.5314976347 2.0018001928 47.5417791087 SOLV 3090 0.0000000000
|
|
9489 3291 TIP3 H2 29.8425289496 2.1210140489 46.8168908193 SOLV 3090 0.0000000000
|
|
9490 3292 TIP3 OH2 34.9439274036 1.4452268511 47.3838480945 SOLV 3091 0.0000000000
|
|
9491 3292 TIP3 H1 35.6724311041 1.3720184498 46.7231240407 SOLV 3091 0.0000000000
|
|
9492 3292 TIP3 H2 34.5177765807 0.5721984352 47.3239978407 SOLV 3091 0.0000000000
|
|
9493 3293 TIP3 OH2 36.6712328223 1.4451875603 45.3625853194 SOLV 3092 0.0000000000
|
|
9494 3293 TIP3 H1 37.2907946052 0.8790163302 44.8992217963 SOLV 3092 0.0000000000
|
|
9495 3293 TIP3 H2 37.1967374744 2.2905825641 45.4126545906 SOLV 3092 0.0000000000
|
|
9496 3294 TIP3 OH2 22.0412268496 0.8770725815 44.8273274904 SOLV 3093 0.0000000000
|
|
9497 3294 TIP3 H1 21.5223249921 0.8645276049 43.9959162741 SOLV 3093 0.0000000000
|
|
9498 3294 TIP3 H2 22.3483089222 -0.0353404606 44.8814088464 SOLV 3093 0.0000000000
|
|
9499 3295 TIP3 OH2 21.1732524471 0.7705581347 41.1874279557 SOLV 3094 0.0000000000
|
|
9500 3295 TIP3 H1 21.5171246542 1.3731408603 40.4938985301 SOLV 3094 0.0000000000
|
|
9501 3295 TIP3 H2 20.3859338914 1.2647047669 41.4832588096 SOLV 3094 0.0000000000
|
|
9502 3296 TIP3 OH2 26.2316655852 1.4913944491 44.6258151208 SOLV 3095 0.0000000000
|
|
9503 3296 TIP3 H1 27.1351082836 1.5728780134 44.2522392003 SOLV 3095 0.0000000000
|
|
9504 3296 TIP3 H2 26.4423775447 1.4187588125 45.5776406170 SOLV 3095 0.0000000000
|
|
9505 3297 TIP3 OH2 31.0312849644 1.3323367506 45.9388949298 SOLV 3096 0.0000000000
|
|
9506 3297 TIP3 H1 31.2797888372 1.4928580229 45.0204760298 SOLV 3096 0.0000000000
|
|
9507 3297 TIP3 H2 31.7112586023 0.6870671308 46.2092126843 SOLV 3096 0.0000000000
|
|
9508 3298 TIP3 OH2 33.4595821221 1.5395865642 41.9229957129 SOLV 3097 0.0000000000
|
|
9509 3298 TIP3 H1 32.5495581497 1.8434286026 42.0892592085 SOLV 3097 0.0000000000
|
|
9510 3298 TIP3 H2 33.3355699388 0.5739656347 41.9888317644 SOLV 3097 0.0000000000
|
|
9511 3299 TIP3 OH2 20.5725720342 16.9653788141 41.6093522656 SOLV 3098 0.0000000000
|
|
9512 3299 TIP3 H1 19.9690139652 16.9254552688 40.8417927904 SOLV 3098 0.0000000000
|
|
9513 3299 TIP3 H2 20.8684789950 17.8882209989 41.4794242571 SOLV 3098 0.0000000000
|
|
9514 3300 TIP3 OH2 22.2902927493 2.4975165573 39.2855642147 SOLV 3099 0.0000000000
|
|
9515 3300 TIP3 H1 22.7738883017 2.0382998395 38.5669395783 SOLV 3099 0.0000000000
|
|
9516 3300 TIP3 H2 23.0395899716 2.8125958275 39.8201528158 SOLV 3099 0.0000000000
|
|
9517 3301 TIP3 OH2 27.3207964702 3.0654286758 41.6709003675 SOLV 3100 0.0000000000
|
|
9518 3301 TIP3 H1 27.7151373800 2.4435033497 42.3151053369 SOLV 3100 0.0000000000
|
|
9519 3301 TIP3 H2 27.5570518061 3.9114337056 42.1211296520 SOLV 3100 0.0000000000
|
|
9520 3302 TIP3 OH2 29.5167706160 17.6567329005 39.9467401880 SOLV 3101 0.0000000000
|
|
9521 3302 TIP3 H1 30.4696253788 17.8296574731 39.7617887960 SOLV 3101 0.0000000000
|
|
9522 3302 TIP3 H2 29.2685089372 17.2106390517 39.1003713192 SOLV 3101 0.0000000000
|
|
9523 3303 TIP3 OH2 36.1257139615 17.3571134913 42.9734062351 SOLV 3102 0.0000000000
|
|
9524 3303 TIP3 H1 35.9621507108 16.5442750324 42.4409227760 SOLV 3102 0.0000000000
|
|
9525 3303 TIP3 H2 36.0005333409 18.0354346990 42.2626757822 SOLV 3102 0.0000000000
|
|
9526 3304 TIP3 OH2 22.2478771885 17.1244322578 38.0880879592 SOLV 3103 0.0000000000
|
|
9527 3304 TIP3 H1 22.3579706794 17.1741763040 39.0479389880 SOLV 3103 0.0000000000
|
|
9528 3304 TIP3 H2 23.0583961239 16.6059883508 37.8525967959 SOLV 3103 0.0000000000
|
|
9529 3305 TIP3 OH2 49.7819467479 9.6326925606 44.4469586427 SOLV 3104 0.0000000000
|
|
9530 3305 TIP3 H1 49.8141241143 10.6099803892 44.4367921111 SOLV 3104 0.0000000000
|
|
9531 3305 TIP3 H2 48.9658513241 9.5097517490 43.9394812338 SOLV 3104 0.0000000000
|
|
9532 3306 TIP3 OH2 47.5878862346 9.7330824234 48.3505444040 SOLV 3105 0.0000000000
|
|
9533 3306 TIP3 H1 48.4866198781 9.7296972769 48.7150018458 SOLV 3105 0.0000000000
|
|
9534 3306 TIP3 H2 47.5571784533 8.9368527195 47.8081214225 SOLV 3105 0.0000000000
|
|
9535 3307 TIP3 OH2 41.1744739156 9.0479188754 -0.4229941812 SOLV 3106 0.0000000000
|
|
9536 3307 TIP3 H1 40.7649585242 9.0129859082 0.4648025710 SOLV 3106 0.0000000000
|
|
9537 3307 TIP3 H2 42.0197005270 9.4985653702 -0.2215714776 SOLV 3106 0.0000000000
|
|
9538 3308 TIP3 OH2 42.2366424060 13.5238599443 48.3133722899 SOLV 3107 0.0000000000
|
|
9539 3308 TIP3 H1 41.8810369079 12.6496345094 48.0548496542 SOLV 3107 0.0000000000
|
|
9540 3308 TIP3 H2 43.1145499643 13.4755900086 47.8838588655 SOLV 3107 0.0000000000
|
|
9541 3309 TIP3 OH2 38.4230751098 6.7999214484 43.2961209607 SOLV 3108 0.0000000000
|
|
9542 3309 TIP3 H1 38.1566719429 7.6947396190 43.5583257800 SOLV 3108 0.0000000000
|
|
9543 3309 TIP3 H2 37.9068416243 6.6763522737 42.4882993793 SOLV 3108 0.0000000000
|
|
9544 3310 TIP3 OH2 39.0911828800 8.9329055796 46.0593532025 SOLV 3109 0.0000000000
|
|
9545 3310 TIP3 H1 39.4822684365 8.0694860880 46.3153463431 SOLV 3109 0.0000000000
|
|
9546 3310 TIP3 H2 39.8544863474 9.4814664150 45.8061286971 SOLV 3109 0.0000000000
|
|
9547 3311 TIP3 OH2 48.4569956924 17.3058773579 46.6032964521 SOLV 3110 0.0000000000
|
|
9548 3311 TIP3 H1 49.3993250028 17.0453558507 46.6230364663 SOLV 3110 0.0000000000
|
|
9549 3311 TIP3 H2 48.3663667909 17.8060551934 47.4372584935 SOLV 3110 0.0000000000
|
|
9550 3312 TIP3 OH2 46.3416601343 12.0661518461 49.0594071644 SOLV 3111 0.0000000000
|
|
9551 3312 TIP3 H1 46.6341262836 11.3101051946 48.5068029505 SOLV 3111 0.0000000000
|
|
9552 3312 TIP3 H2 47.2065121688 12.2745069023 49.4608599103 SOLV 3111 0.0000000000
|
|
9553 3313 TIP3 OH2 43.6762076779 4.0341434195 46.2555604037 SOLV 3112 0.0000000000
|
|
9554 3313 TIP3 H1 43.6855159821 4.8520770235 45.7131003810 SOLV 3112 0.0000000000
|
|
9555 3313 TIP3 H2 43.3760220434 3.3938964803 45.5738315837 SOLV 3112 0.0000000000
|
|
9556 3314 TIP3 OH2 39.5675988686 6.3987535844 46.6265173970 SOLV 3113 0.0000000000
|
|
9557 3314 TIP3 H1 40.3070792684 6.0736888557 47.1750925081 SOLV 3113 0.0000000000
|
|
9558 3314 TIP3 H2 39.9527460929 6.1643400282 45.7530264911 SOLV 3113 0.0000000000
|
|
9559 3315 TIP3 OH2 44.9844835970 8.1136430944 46.2296104679 SOLV 3114 0.0000000000
|
|
9560 3315 TIP3 H1 45.8363052495 7.6548256801 46.3808416276 SOLV 3114 0.0000000000
|
|
9561 3315 TIP3 H2 44.4186583240 7.3683021796 45.9384409567 SOLV 3114 0.0000000000
|
|
9562 3316 TIP3 OH2 49.1458193494 12.3415321155 43.9025725737 SOLV 3115 0.0000000000
|
|
9563 3316 TIP3 H1 49.3157639868 12.6540321902 43.0088796371 SOLV 3115 0.0000000000
|
|
9564 3316 TIP3 H2 48.8781478154 13.1921221872 44.3082131691 SOLV 3115 0.0000000000
|
|
9565 3317 TIP3 OH2 41.6137017110 5.0193528502 47.8802495794 SOLV 3116 0.0000000000
|
|
9566 3317 TIP3 H1 42.0820693269 5.2998018832 48.6974540745 SOLV 3116 0.0000000000
|
|
9567 3317 TIP3 H2 42.3707231049 4.5929465521 47.4018955650 SOLV 3116 0.0000000000
|
|
9568 3318 TIP3 OH2 39.0952860486 12.6141976586 42.0033180921 SOLV 3117 0.0000000000
|
|
9569 3318 TIP3 H1 39.1421721298 13.1056023243 41.1531804583 SOLV 3117 0.0000000000
|
|
9570 3318 TIP3 H2 39.3219759831 13.3082397805 42.6518636217 SOLV 3117 0.0000000000
|
|
9571 3319 TIP3 OH2 45.6792035683 0.8962509618 47.3506247709 SOLV 3118 0.0000000000
|
|
9572 3319 TIP3 H1 46.2446802372 0.3229163184 47.9251500590 SOLV 3118 0.0000000000
|
|
9573 3319 TIP3 H2 44.8407631515 0.8678704890 47.8589275805 SOLV 3118 0.0000000000
|
|
9574 3320 TIP3 OH2 48.5152485824 9.4282046109 41.6025725885 SOLV 3119 0.0000000000
|
|
9575 3320 TIP3 H1 47.6307055174 9.8598627897 41.5926378920 SOLV 3119 0.0000000000
|
|
9576 3320 TIP3 H2 49.0663197893 10.2247469422 41.6545561969 SOLV 3119 0.0000000000
|
|
9577 3321 TIP3 OH2 48.4113410847 7.6586931214 39.0531029702 SOLV 3120 0.0000000000
|
|
9578 3321 TIP3 H1 48.5213798378 8.0812180827 39.9261445895 SOLV 3120 0.0000000000
|
|
9579 3321 TIP3 H2 48.5665964947 6.7226177099 39.2858718138 SOLV 3120 0.0000000000
|
|
9580 3322 TIP3 OH2 43.3769897184 9.8391501352 44.7999980442 SOLV 3121 0.0000000000
|
|
9581 3322 TIP3 H1 43.1808407166 9.4187691803 43.9301115896 SOLV 3121 0.0000000000
|
|
9582 3322 TIP3 H2 44.0284222664 9.2475195317 45.2066511516 SOLV 3121 0.0000000000
|
|
9583 3323 TIP3 OH2 44.7503928676 13.7041862840 47.3906808884 SOLV 3122 0.0000000000
|
|
9584 3323 TIP3 H1 44.8659684067 13.6280384613 46.4284801722 SOLV 3122 0.0000000000
|
|
9585 3323 TIP3 H2 45.3480954822 13.0170327478 47.7380464597 SOLV 3122 0.0000000000
|
|
9586 3324 TIP3 OH2 44.3757859577 8.6773055026 48.8032444223 SOLV 3123 0.0000000000
|
|
9587 3324 TIP3 H1 44.5395500293 8.5440025343 47.8451361092 SOLV 3123 0.0000000000
|
|
9588 3324 TIP3 H2 44.8604939472 9.4997864932 48.9731027369 SOLV 3123 0.0000000000
|
|
9589 3325 TIP3 OH2 48.8266507995 15.3892478396 44.2924195901 SOLV 3124 0.0000000000
|
|
9590 3325 TIP3 H1 48.6100056166 15.7426183987 45.1745553065 SOLV 3124 0.0000000000
|
|
9591 3325 TIP3 H2 48.5523496208 16.1280350598 43.7349880129 SOLV 3124 0.0000000000
|
|
9592 3326 TIP3 OH2 42.4707343106 8.9484978115 42.4039808384 SOLV 3125 0.0000000000
|
|
9593 3326 TIP3 H1 42.0925234738 9.7913040961 42.0767847165 SOLV 3125 0.0000000000
|
|
9594 3326 TIP3 H2 41.8558107269 8.2885584961 42.0647299300 SOLV 3125 0.0000000000
|
|
9595 3327 TIP3 OH2 38.6306175040 14.5611896047 48.1084206041 SOLV 3126 0.0000000000
|
|
9596 3327 TIP3 H1 39.5354355137 14.5832313399 48.4433431342 SOLV 3126 0.0000000000
|
|
9597 3327 TIP3 H2 38.1908408062 15.2562350311 48.6257212399 SOLV 3126 0.0000000000
|
|
9598 3328 TIP3 OH2 48.1784396022 18.1676380118 42.9115814914 SOLV 3127 0.0000000000
|
|
9599 3328 TIP3 H1 48.2513830336 18.1556636616 41.9519735685 SOLV 3127 0.0000000000
|
|
9600 3328 TIP3 H2 47.8543438679 19.0855856559 43.0788061215 SOLV 3127 0.0000000000
|
|
9601 3329 TIP3 OH2 41.6812666303 16.8456314779 44.6875499787 SOLV 3128 0.0000000000
|
|
9602 3329 TIP3 H1 41.7298766276 16.4478371687 45.5864475462 SOLV 3128 0.0000000000
|
|
9603 3329 TIP3 H2 41.0820906327 16.2087747566 44.2379549468 SOLV 3128 0.0000000000
|
|
9604 3330 TIP3 OH2 43.4816570016 1.0534246151 49.1091545004 SOLV 3129 0.0000000000
|
|
9605 3330 TIP3 H1 42.6492269695 1.1431267778 48.6006768295 SOLV 3129 0.0000000000
|
|
9606 3330 TIP3 H2 43.6143835793 1.9683855976 49.3984736563 SOLV 3129 0.0000000000
|
|
9607 3331 TIP3 OH2 47.9855966452 3.5196110736 39.5418242084 SOLV 3130 0.0000000000
|
|
9608 3331 TIP3 H1 47.3255569537 3.3639355182 40.2385343971 SOLV 3130 0.0000000000
|
|
9609 3331 TIP3 H2 47.5688513845 3.0066046937 38.8153779215 SOLV 3130 0.0000000000
|
|
9610 3332 TIP3 OH2 42.8358018753 6.5482847800 49.7758436677 SOLV 3131 0.0000000000
|
|
9611 3332 TIP3 H1 41.9991278910 7.0519595569 49.7927070172 SOLV 3131 0.0000000000
|
|
9612 3332 TIP3 H2 43.4280557468 7.2026560687 49.3533257460 SOLV 3131 0.0000000000
|
|
9613 3333 TIP3 OH2 43.4388293934 6.2721235560 44.7538644604 SOLV 3132 0.0000000000
|
|
9614 3333 TIP3 H1 42.4674203055 6.2663696177 44.6526456843 SOLV 3132 0.0000000000
|
|
9615 3333 TIP3 H2 43.7071537697 6.0798384114 43.8379461075 SOLV 3132 0.0000000000
|
|
9616 3334 TIP3 OH2 48.1065934779 6.9184504424 42.6165909527 SOLV 3133 0.0000000000
|
|
9617 3334 TIP3 H1 48.1747455437 7.8361856102 42.3082303743 SOLV 3133 0.0000000000
|
|
9618 3334 TIP3 H2 48.9788604494 6.7878114363 43.0557460370 SOLV 3133 0.0000000000
|
|
9619 3335 TIP3 OH2 44.3729039900 3.6132304712 38.0904346005 SOLV 3134 0.0000000000
|
|
9620 3335 TIP3 H1 43.9620265437 3.5330733664 38.9734043968 SOLV 3134 0.0000000000
|
|
9621 3335 TIP3 H2 44.0742246763 4.5116789819 37.8420259001 SOLV 3134 0.0000000000
|
|
9622 3336 TIP3 OH2 38.0764327038 3.6568457008 45.3841031260 SOLV 3135 0.0000000000
|
|
9623 3336 TIP3 H1 38.6993380542 3.6207576480 46.1329052996 SOLV 3135 0.0000000000
|
|
9624 3336 TIP3 H2 38.4143547922 4.3654797523 44.8303920468 SOLV 3135 0.0000000000
|
|
9625 3337 TIP3 OH2 38.5406766044 4.5155032399 40.7666475522 SOLV 3136 0.0000000000
|
|
9626 3337 TIP3 H1 39.1461095279 4.9427757093 40.1267072080 SOLV 3136 0.0000000000
|
|
9627 3337 TIP3 H2 37.8493858569 5.2035535005 40.8766051302 SOLV 3136 0.0000000000
|
|
9628 3338 TIP3 OH2 46.4613192609 4.5225989621 45.6028971600 SOLV 3137 0.0000000000
|
|
9629 3338 TIP3 H1 45.6129296927 4.1523859788 45.9313414285 SOLV 3137 0.0000000000
|
|
9630 3338 TIP3 H2 47.0827793637 3.8492579554 45.9716198227 SOLV 3137 0.0000000000
|
|
9631 3339 TIP3 OH2 40.7306891202 5.7675674433 44.3396852786 SOLV 3138 0.0000000000
|
|
9632 3339 TIP3 H1 40.0230831198 6.0086414445 43.6909721955 SOLV 3138 0.0000000000
|
|
9633 3339 TIP3 H2 41.0900964650 4.9439918755 43.9675845688 SOLV 3138 0.0000000000
|
|
9634 3340 TIP3 OH2 43.8833081648 5.6289638614 42.0504033593 SOLV 3139 0.0000000000
|
|
9635 3340 TIP3 H1 44.8592102789 5.5218008764 42.0772366317 SOLV 3139 0.0000000000
|
|
9636 3340 TIP3 H2 43.7561273398 6.1871269378 41.2485682619 SOLV 3139 0.0000000000
|
|
9637 3341 TIP3 OH2 43.7664334379 6.7467532589 39.5288935259 SOLV 3140 0.0000000000
|
|
9638 3341 TIP3 H1 43.2989002706 6.4413427393 38.7242555356 SOLV 3140 0.0000000000
|
|
9639 3341 TIP3 H2 44.5587408145 7.1727390813 39.1440640226 SOLV 3140 0.0000000000
|
|
9640 3342 TIP3 OH2 47.2586857690 6.9297663069 47.1560799445 SOLV 3141 0.0000000000
|
|
9641 3342 TIP3 H1 47.4315867326 6.1173203358 46.6558280877 SOLV 3141 0.0000000000
|
|
9642 3342 TIP3 H2 46.9763000925 6.5254932939 48.0067857703 SOLV 3141 0.0000000000
|
|
9643 3343 TIP3 OH2 42.3710071241 3.1102268177 43.9823667185 SOLV 3142 0.0000000000
|
|
9644 3343 TIP3 H1 41.7576090942 2.4331616700 44.3215139279 SOLV 3142 0.0000000000
|
|
9645 3343 TIP3 H2 43.0266532249 2.5585345486 43.5243094320 SOLV 3142 0.0000000000
|
|
9646 3344 TIP3 OH2 46.4779418405 5.3499102491 49.4125663577 SOLV 3143 0.0000000000
|
|
9647 3344 TIP3 H1 45.6596950153 4.8356774674 49.4676502535 SOLV 3143 0.0000000000
|
|
9648 3344 TIP3 H2 46.9851240631 4.9017087500 50.1227392348 SOLV 3143 0.0000000000
|
|
9649 3345 TIP3 OH2 46.6363839004 11.4957580328 41.6817631230 SOLV 3144 0.0000000000
|
|
9650 3345 TIP3 H1 45.9237572106 10.9094556947 41.3331447048 SOLV 3144 0.0000000000
|
|
9651 3345 TIP3 H2 46.2237914587 11.7684864443 42.5387040912 SOLV 3144 0.0000000000
|
|
9652 3346 TIP3 OH2 41.7954626439 10.9807626893 47.1444112009 SOLV 3145 0.0000000000
|
|
9653 3346 TIP3 H1 42.2021142368 10.6580447972 46.3207049815 SOLV 3145 0.0000000000
|
|
9654 3346 TIP3 H2 41.8827790229 10.2331445899 47.7517514399 SOLV 3145 0.0000000000
|
|
9655 3347 TIP3 OH2 48.7042242304 12.9334111836 40.6884649600 SOLV 3146 0.0000000000
|
|
9656 3347 TIP3 H1 48.2774030025 13.7919022031 40.9321466493 SOLV 3146 0.0000000000
|
|
9657 3347 TIP3 H2 47.9955319372 12.3284389869 40.9865725289 SOLV 3146 0.0000000000
|
|
9658 3348 TIP3 OH2 43.9443157153 14.2980435581 44.7041922780 SOLV 3147 0.0000000000
|
|
9659 3348 TIP3 H1 44.3497023120 15.1646147944 44.4877795739 SOLV 3147 0.0000000000
|
|
9660 3348 TIP3 H2 43.0580782100 14.4335376954 44.3509260762 SOLV 3147 0.0000000000
|
|
9661 3349 TIP3 OH2 40.0322079017 9.0820921207 39.3641274804 SOLV 3148 0.0000000000
|
|
9662 3349 TIP3 H1 40.5059936398 9.5554886905 40.0776199848 SOLV 3148 0.0000000000
|
|
9663 3349 TIP3 H2 39.0915437726 9.2217868052 39.6085258466 SOLV 3148 0.0000000000
|
|
9664 3350 TIP3 OH2 45.2180365862 12.0522826634 43.9151933842 SOLV 3149 0.0000000000
|
|
9665 3350 TIP3 H1 44.6693483583 12.8242176159 44.1927128685 SOLV 3149 0.0000000000
|
|
9666 3350 TIP3 H2 44.7350861709 11.2976863685 44.2767162089 SOLV 3149 0.0000000000
|
|
9667 3351 TIP3 OH2 44.2769642901 16.8529003439 43.7547452115 SOLV 3150 0.0000000000
|
|
9668 3351 TIP3 H1 43.3933221253 16.9874195621 44.1697748205 SOLV 3150 0.0000000000
|
|
9669 3351 TIP3 H2 44.6961201990 17.7108773093 43.9856200301 SOLV 3150 0.0000000000
|
|
9670 3352 TIP3 OH2 45.5383698123 14.4231500127 37.8528205256 SOLV 3151 0.0000000000
|
|
9671 3352 TIP3 H1 45.4858206815 13.6922061271 37.1980415990 SOLV 3151 0.0000000000
|
|
9672 3352 TIP3 H2 45.2337456003 13.9587925770 38.6648391121 SOLV 3151 0.0000000000
|
|
9673 3353 TIP3 OH2 44.5507662672 13.7179026141 40.4085350157 SOLV 3152 0.0000000000
|
|
9674 3353 TIP3 H1 45.1721405374 13.2210647979 40.9552732912 SOLV 3152 0.0000000000
|
|
9675 3353 TIP3 H2 44.7021266785 14.6461661798 40.7091717586 SOLV 3152 0.0000000000
|
|
9676 3354 TIP3 OH2 41.1346240624 10.9276888033 41.0478975294 SOLV 3153 0.0000000000
|
|
9677 3354 TIP3 H1 40.4196577514 11.4477988563 41.4484067021 SOLV 3153 0.0000000000
|
|
9678 3354 TIP3 H2 41.5364597781 11.5900032687 40.4318977277 SOLV 3153 0.0000000000
|
|
9679 3355 TIP3 OH2 49.0826343369 3.5068851865 42.4345885620 SOLV 3154 0.0000000000
|
|
9680 3355 TIP3 H1 49.0677435639 3.7262830202 41.4833445317 SOLV 3154 0.0000000000
|
|
9681 3355 TIP3 H2 49.4097770940 4.3175544027 42.8649709490 SOLV 3154 0.0000000000
|
|
9682 3356 TIP3 OH2 47.5970215179 15.2376014871 41.2437411088 SOLV 3155 0.0000000000
|
|
9683 3356 TIP3 H1 46.6832881635 15.5143047029 41.4547391911 SOLV 3155 0.0000000000
|
|
9684 3356 TIP3 H2 47.9867600694 16.0940064399 41.0417791269 SOLV 3155 0.0000000000
|
|
9685 3357 TIP3 OH2 46.3246969130 4.9608502552 42.9585107266 SOLV 3156 0.0000000000
|
|
9686 3357 TIP3 H1 46.9440189448 5.7160225839 42.7797793035 SOLV 3156 0.0000000000
|
|
9687 3357 TIP3 H2 46.3392849834 4.9599457058 43.9360014154 SOLV 3156 0.0000000000
|
|
9688 3358 TIP3 OH2 47.4749846719 1.9279573396 43.8619724815 SOLV 3157 0.0000000000
|
|
9689 3358 TIP3 H1 47.7402858784 2.2669965529 44.7432715276 SOLV 3157 0.0000000000
|
|
9690 3358 TIP3 H2 48.0478912235 2.5066933242 43.3070245954 SOLV 3157 0.0000000000
|
|
9691 3359 TIP3 OH2 45.1304885579 16.1408016749 41.2792545425 SOLV 3158 0.0000000000
|
|
9692 3359 TIP3 H1 45.2074467779 16.9775321712 40.7889724426 SOLV 3158 0.0000000000
|
|
9693 3359 TIP3 H2 44.7370044337 16.4574215385 42.1285799602 SOLV 3158 0.0000000000
|
|
9694 3360 TIP3 OH2 43.4216186069 3.4142902056 40.5692233347 SOLV 3159 0.0000000000
|
|
9695 3360 TIP3 H1 43.3862679765 4.1848869052 41.1862902619 SOLV 3159 0.0000000000
|
|
9696 3360 TIP3 H2 44.2928986085 3.0421249478 40.8383417343 SOLV 3159 0.0000000000
|
|
9697 3361 TIP3 OH2 42.0863490620 12.7877273485 39.3248057345 SOLV 3160 0.0000000000
|
|
9698 3361 TIP3 H1 42.9742995401 13.1332726588 39.5939711025 SOLV 3160 0.0000000000
|
|
9699 3361 TIP3 H2 42.2516203361 12.4583084641 38.4189398518 SOLV 3160 0.0000000000
|
|
9700 3362 TIP3 OH2 40.0476969631 6.3680077412 39.0531905235 SOLV 3161 0.0000000000
|
|
9701 3362 TIP3 H1 40.2738528308 7.3093142146 39.1663908001 SOLV 3161 0.0000000000
|
|
9702 3362 TIP3 H2 39.9921725267 6.3051780254 38.0840220735 SOLV 3161 0.0000000000
|
|
9703 3363 TIP3 OH2 41.3767660563 0.8963360559 47.4906788774 SOLV 3162 0.0000000000
|
|
9704 3363 TIP3 H1 41.1469418105 1.0935482006 46.5572250672 SOLV 3162 0.0000000000
|
|
9705 3363 TIP3 H2 41.3635360783 -0.0902558557 47.4488245383 SOLV 3162 0.0000000000
|
|
9706 3364 TIP3 OH2 39.6876751997 15.2027021717 43.6193463830 SOLV 3163 0.0000000000
|
|
9707 3364 TIP3 H1 38.9366402022 15.5500176444 44.1178212588 SOLV 3163 0.0000000000
|
|
9708 3364 TIP3 H2 39.6415893572 15.7479197299 42.7974883890 SOLV 3163 0.0000000000
|
|
9709 3365 TIP3 OH2 48.0651286712 15.6580413433 37.8385866857 SOLV 3164 0.0000000000
|
|
9710 3365 TIP3 H1 47.1859863130 15.2309098357 37.9603251393 SOLV 3164 0.0000000000
|
|
9711 3365 TIP3 H2 48.6160916097 14.8503009930 37.8420775886 SOLV 3164 0.0000000000
|
|
9712 3366 TIP3 OH2 48.8448822733 12.8178687751 37.9251840425 SOLV 3165 0.0000000000
|
|
9713 3366 TIP3 H1 48.9233094822 12.7604222139 38.8999937232 SOLV 3165 0.0000000000
|
|
9714 3366 TIP3 H2 48.7123131111 11.8743031810 37.7095165279 SOLV 3165 0.0000000000
|
|
9715 3367 TIP3 OH2 44.7799919878 9.5653308911 40.8431844037 SOLV 3166 0.0000000000
|
|
9716 3367 TIP3 H1 44.0459207400 9.0891645399 41.2600965766 SOLV 3166 0.0000000000
|
|
9717 3367 TIP3 H2 44.8255700316 9.1520257689 39.9676719294 SOLV 3166 0.0000000000
|
|
9718 3368 TIP3 OH2 45.8252560339 8.1706604081 38.4998947285 SOLV 3167 0.0000000000
|
|
9719 3368 TIP3 H1 45.8708989931 8.5300904123 37.5885788289 SOLV 3167 0.0000000000
|
|
9720 3368 TIP3 H2 46.7247577760 7.8345289941 38.6345031347 SOLV 3167 0.0000000000
|
|
9721 3369 TIP3 OH2 46.0547059686 18.6582100595 40.2035229066 SOLV 3168 0.0000000000
|
|
9722 3369 TIP3 H1 46.9734511719 18.3488589601 40.1567864523 SOLV 3168 0.0000000000
|
|
9723 3369 TIP3 H2 45.9946887597 19.2474667383 39.4299935652 SOLV 3168 0.0000000000
|
|
9724 3370 TIP3 OH2 39.2185056381 13.5177919160 39.3865034704 SOLV 3169 0.0000000000
|
|
9725 3370 TIP3 H1 40.1823143968 13.4008666914 39.2513860940 SOLV 3169 0.0000000000
|
|
9726 3370 TIP3 H2 38.9115522916 12.8863966831 38.6892092179 SOLV 3169 0.0000000000
|
|
9727 3371 TIP3 OH2 38.1327275981 18.5487563375 44.5133053470 SOLV 3170 0.0000000000
|
|
9728 3371 TIP3 H1 37.4845364584 18.1552028030 43.8950700869 SOLV 3170 0.0000000000
|
|
9729 3371 TIP3 H2 38.3222410218 17.7576031830 45.0581306146 SOLV 3170 0.0000000000
|
|
9730 3372 TIP3 OH2 38.7923849890 16.4402823934 46.0962716994 SOLV 3171 0.0000000000
|
|
9731 3372 TIP3 H1 38.4757784226 15.6554518601 46.5832319750 SOLV 3171 0.0000000000
|
|
9732 3372 TIP3 H2 39.2644201058 16.9230690069 46.8064879156 SOLV 3171 0.0000000000
|
|
9733 3373 TIP3 OH2 38.4515432682 9.5419260869 48.6537166550 SOLV 3172 0.0000000000
|
|
9734 3373 TIP3 H1 38.6172040618 9.4868495248 47.6893063084 SOLV 3172 0.0000000000
|
|
9735 3373 TIP3 H2 39.3644417271 9.5255371153 48.9722467069 SOLV 3172 0.0000000000
|
|
9736 3374 TIP3 OH2 39.6905056240 2.9860659575 47.4448529396 SOLV 3173 0.0000000000
|
|
9737 3374 TIP3 H1 40.3269298871 2.2553250865 47.5799133470 SOLV 3173 0.0000000000
|
|
9738 3374 TIP3 H2 40.2438243564 3.7707278144 47.6039774197 SOLV 3173 0.0000000000
|
|
9739 3375 TIP3 OH2 37.6227565151 6.6405766043 48.4011156617 SOLV 3174 0.0000000000
|
|
9740 3375 TIP3 H1 38.2729547266 6.5583570815 47.6674319887 SOLV 3174 0.0000000000
|
|
9741 3375 TIP3 H2 37.7256281611 7.5766252836 48.6163632336 SOLV 3174 0.0000000000
|
|
9742 3376 TIP3 OH2 38.1899580687 2.3714180170 42.4020850610 SOLV 3175 0.0000000000
|
|
9743 3376 TIP3 H1 37.2729600762 2.6204355609 42.6375477661 SOLV 3175 0.0000000000
|
|
9744 3376 TIP3 H2 38.4735215574 3.2051831320 41.9507783462 SOLV 3175 0.0000000000
|
|
9745 3377 TIP3 OH2 48.3489674685 19.0524946214 48.8448299720 SOLV 3176 0.0000000000
|
|
9746 3377 TIP3 H1 47.4006824709 19.1953294932 48.6151067323 SOLV 3176 0.0000000000
|
|
9747 3377 TIP3 H2 48.3083270371 18.7212269176 49.7471616305 SOLV 3176 0.0000000000
|
|
9748 3378 TIP3 OH2 40.2735043721 17.5712533720 48.1960768177 SOLV 3177 0.0000000000
|
|
9749 3378 TIP3 H1 40.4200578004 17.5005910996 49.1682603317 SOLV 3177 0.0000000000
|
|
9750 3378 TIP3 H2 41.0770736341 17.1101099206 47.8616111350 SOLV 3177 0.0000000000
|
|
9751 3379 TIP3 OH2 42.1563006771 15.9871479728 47.2590237010 SOLV 3178 0.0000000000
|
|
9752 3379 TIP3 H1 42.0566835595 15.0887236759 47.6519773303 SOLV 3178 0.0000000000
|
|
9753 3379 TIP3 H2 43.0996356188 16.1260574544 47.5277193526 SOLV 3178 0.0000000000
|
|
9754 3380 TIP3 OH2 44.6350698821 16.2649450290 48.1778429366 SOLV 3179 0.0000000000
|
|
9755 3380 TIP3 H1 44.7739607927 15.3520482040 47.8458710678 SOLV 3179 0.0000000000
|
|
9756 3380 TIP3 H2 44.9983696894 16.1523016759 49.0699563961 SOLV 3179 0.0000000000
|
|
9757 3381 TIP3 OH2 47.7615179165 2.4141946353 46.5665791225 SOLV 3180 0.0000000000
|
|
9758 3381 TIP3 H1 47.0135630701 1.8418857751 46.8610645587 SOLV 3180 0.0000000000
|
|
9759 3381 TIP3 H2 48.3781072317 2.3037917043 47.3000439624 SOLV 3180 0.0000000000
|
|
9760 3382 TIP3 OH2 40.8394002548 0.8263616424 44.7911133473 SOLV 3181 0.0000000000
|
|
9761 3382 TIP3 H1 40.2869028750 0.9072246974 43.9841919282 SOLV 3181 0.0000000000
|
|
9762 3382 TIP3 H2 41.2163036941 -0.0512892572 44.6703234611 SOLV 3181 0.0000000000
|
|
9763 3383 TIP3 OH2 40.0726698897 0.7882595433 41.1727565510 SOLV 3182 0.0000000000
|
|
9764 3383 TIP3 H1 40.4392135636 1.3977275259 40.4982731512 SOLV 3182 0.0000000000
|
|
9765 3383 TIP3 H2 39.3044297816 1.3145250937 41.4867116616 SOLV 3182 0.0000000000
|
|
9766 3384 TIP3 OH2 45.0136850068 1.5773651460 44.6210434693 SOLV 3183 0.0000000000
|
|
9767 3384 TIP3 H1 45.9275589758 1.7711072406 44.3026026400 SOLV 3183 0.0000000000
|
|
9768 3384 TIP3 H2 45.2076305824 1.4104602115 45.5643483460 SOLV 3183 0.0000000000
|
|
9769 3385 TIP3 OH2 39.5142999322 16.9549789426 41.5933166725 SOLV 3184 0.0000000000
|
|
9770 3385 TIP3 H1 38.8738322388 16.8976227173 40.8549536239 SOLV 3184 0.0000000000
|
|
9771 3385 TIP3 H2 39.7938988375 17.8755305966 41.4391097589 SOLV 3184 0.0000000000
|
|
9772 3386 TIP3 OH2 41.2011871814 2.4130849702 39.3133313481 SOLV 3185 0.0000000000
|
|
9773 3386 TIP3 H1 41.6509551641 1.9557978932 38.5728186860 SOLV 3185 0.0000000000
|
|
9774 3386 TIP3 H2 41.9844937845 2.7791399237 39.7827768141 SOLV 3185 0.0000000000
|
|
9775 3387 TIP3 OH2 46.0378145077 2.8766838198 41.3877016011 SOLV 3186 0.0000000000
|
|
9776 3387 TIP3 H1 46.2440588288 2.2270150194 42.0867657314 SOLV 3186 0.0000000000
|
|
9777 3387 TIP3 H2 46.2862400760 3.6867060468 41.8961962708 SOLV 3186 0.0000000000
|
|
9778 3388 TIP3 OH2 48.6055751189 17.6327354361 40.0362695124 SOLV 3187 0.0000000000
|
|
9779 3388 TIP3 H1 49.2279526964 18.2065804756 39.5677197231 SOLV 3187 0.0000000000
|
|
9780 3388 TIP3 H2 48.3758711523 17.0127780502 39.3136507689 SOLV 3187 0.0000000000
|
|
9781 3389 TIP3 OH2 41.0756153981 17.1815171240 38.1791080497 SOLV 3188 0.0000000000
|
|
9782 3389 TIP3 H1 41.1453550980 17.0588525132 39.1367249866 SOLV 3188 0.0000000000
|
|
9783 3389 TIP3 H2 41.9237918686 16.7668472929 37.8993260946 SOLV 3188 0.0000000000
|
|
9784 3390 TIP3 OH2 12.2150685512 28.7890861013 44.5901583070 SOLV 3189 0.0000000000
|
|
9785 3390 TIP3 H1 12.0315279100 29.7495504723 44.4483013971 SOLV 3189 0.0000000000
|
|
9786 3390 TIP3 H2 11.4615932354 28.4112709539 44.0853335983 SOLV 3189 0.0000000000
|
|
9787 3391 TIP3 OH2 10.8646068026 28.0469072387 48.6289194775 SOLV 3190 0.0000000000
|
|
9788 3391 TIP3 H1 10.9501730241 27.7039435286 49.5341468849 SOLV 3190 0.0000000000
|
|
9789 3391 TIP3 H2 10.2587606305 27.3693593975 48.2474824761 SOLV 3190 0.0000000000
|
|
9790 3392 TIP3 OH2 3.8863120154 27.9388637219 -0.2127952849 SOLV 3191 0.0000000000
|
|
9791 3392 TIP3 H1 3.3908882298 27.9192825082 0.6355137752 SOLV 3191 0.0000000000
|
|
9792 3392 TIP3 H2 4.3476918029 28.7931690402 -0.1772198618 SOLV 3191 0.0000000000
|
|
9793 3393 TIP3 OH2 14.5082119345 30.7738165659 46.3139438875 SOLV 3192 0.0000000000
|
|
9794 3393 TIP3 H1 14.2147143164 30.1164372237 46.9736893795 SOLV 3192 0.0000000000
|
|
9795 3393 TIP3 H2 14.8014292838 31.4828996004 46.8940244839 SOLV 3192 0.0000000000
|
|
9796 3394 TIP3 OH2 4.4098578746 32.2832645516 48.0951790827 SOLV 3193 0.0000000000
|
|
9797 3394 TIP3 H1 4.3235263743 31.3199597956 47.9791863815 SOLV 3193 0.0000000000
|
|
9798 3394 TIP3 H2 5.3437134758 32.3889156174 47.8114628568 SOLV 3193 0.0000000000
|
|
9799 3395 TIP3 OH2 1.0774336385 25.5549189976 43.6718884178 SOLV 3194 0.0000000000
|
|
9800 3395 TIP3 H1 0.8236438665 26.4013637223 44.0708849508 SOLV 3194 0.0000000000
|
|
9801 3395 TIP3 H2 0.6602056140 24.9044156059 44.2732954148 SOLV 3194 0.0000000000
|
|
9802 3396 TIP3 OH2 1.9559772429 28.3014573285 46.4253408116 SOLV 3195 0.0000000000
|
|
9803 3396 TIP3 H1 2.1012978469 27.3221330094 46.4899769787 SOLV 3195 0.0000000000
|
|
9804 3396 TIP3 H2 1.4608652413 28.3811716274 45.5901317689 SOLV 3195 0.0000000000
|
|
9805 3397 TIP3 OH2 11.9365417955 36.1655554119 46.7806943728 SOLV 3196 0.0000000000
|
|
9806 3397 TIP3 H1 12.3586181320 35.6036109829 46.0962547014 SOLV 3196 0.0000000000
|
|
9807 3397 TIP3 H2 11.7270588237 35.5190475625 47.4588079733 SOLV 3196 0.0000000000
|
|
9808 3398 TIP3 OH2 9.0617535094 30.8140828234 48.8623186315 SOLV 3197 0.0000000000
|
|
9809 3398 TIP3 H1 9.1996297077 29.9451798986 48.4601216358 SOLV 3197 0.0000000000
|
|
9810 3398 TIP3 H2 9.9670308619 30.9532358432 49.2315138135 SOLV 3197 0.0000000000
|
|
9811 3399 TIP3 OH2 18.9677884584 22.3667030700 49.3509889974 SOLV 3198 0.0000000000
|
|
9812 3399 TIP3 H1 18.8380268397 23.2284925705 48.9275948817 SOLV 3198 0.0000000000
|
|
9813 3399 TIP3 H2 19.6195509693 21.9717661456 48.7376150470 SOLV 3198 0.0000000000
|
|
9814 3400 TIP3 OH2 12.3303180195 25.1493876294 48.5440201032 SOLV 3199 0.0000000000
|
|
9815 3400 TIP3 H1 12.5072331283 24.3187920409 49.0260585560 SOLV 3199 0.0000000000
|
|
9816 3400 TIP3 H2 12.1394436596 24.7743441969 47.6621776628 SOLV 3199 0.0000000000
|
|
9817 3401 TIP3 OH2 5.8628073903 22.9383337590 46.1598520501 SOLV 3200 0.0000000000
|
|
9818 3401 TIP3 H1 6.0135784551 23.7136145691 45.5837681660 SOLV 3200 0.0000000000
|
|
9819 3401 TIP3 H2 5.4480192235 22.3303040974 45.5232755176 SOLV 3200 0.0000000000
|
|
9820 3402 TIP3 OH2 13.5661647224 23.5592384119 44.4615333586 SOLV 3201 0.0000000000
|
|
9821 3402 TIP3 H1 14.0599181476 23.1768570634 45.2260242811 SOLV 3201 0.0000000000
|
|
9822 3402 TIP3 H2 14.2869852815 23.9943820028 43.9760214591 SOLV 3201 0.0000000000
|
|
9823 3403 TIP3 OH2 2.2613573237 25.5805807731 46.5659070388 SOLV 3202 0.0000000000
|
|
9824 3403 TIP3 H1 2.7882638167 25.0178126785 47.1628775500 SOLV 3202 0.0000000000
|
|
9825 3403 TIP3 H2 2.4906840392 25.1546036070 45.7275532497 SOLV 3202 0.0000000000
|
|
9826 3404 TIP3 OH2 7.6068491904 26.8755790795 45.8833799245 SOLV 3203 0.0000000000
|
|
9827 3404 TIP3 H1 7.9486250577 26.5334476006 46.7360979265 SOLV 3203 0.0000000000
|
|
9828 3404 TIP3 H2 6.9132246516 26.2232609451 45.6656892173 SOLV 3203 0.0000000000
|
|
9829 3405 TIP3 OH2 11.3715872738 31.1276900434 43.5400026081 SOLV 3204 0.0000000000
|
|
9830 3405 TIP3 H1 11.4598964241 31.2196514254 42.5814140965 SOLV 3204 0.0000000000
|
|
9831 3405 TIP3 H2 11.0180881282 32.0273212103 43.7431147777 SOLV 3204 0.0000000000
|
|
9832 3406 TIP3 OH2 14.9800349470 22.8292135987 46.5890221256 SOLV 3205 0.0000000000
|
|
9833 3406 TIP3 H1 14.6955382469 22.1387271784 47.2028578749 SOLV 3205 0.0000000000
|
|
9834 3406 TIP3 H2 15.5541124557 23.3669613225 47.1869638245 SOLV 3205 0.0000000000
|
|
9835 3407 TIP3 OH2 3.8532875550 23.6868979176 47.8899008639 SOLV 3206 0.0000000000
|
|
9836 3407 TIP3 H1 4.3716101718 24.1103900050 48.5903378001 SOLV 3206 0.0000000000
|
|
9837 3407 TIP3 H2 4.5672772779 23.2321091726 47.3754831407 SOLV 3206 0.0000000000
|
|
9838 3408 TIP3 OH2 1.5473044223 31.3857138662 41.6854582271 SOLV 3207 0.0000000000
|
|
9839 3408 TIP3 H1 0.8414385292 31.8840625676 41.2086405197 SOLV 3207 0.0000000000
|
|
9840 3408 TIP3 H2 1.7542087991 31.9828422284 42.4131058379 SOLV 3207 0.0000000000
|
|
9841 3409 TIP3 OH2 14.9038100531 33.0887637074 47.9559678504 SOLV 3208 0.0000000000
|
|
9842 3409 TIP3 H1 14.0074929146 33.2176594681 48.2825340204 SOLV 3208 0.0000000000
|
|
9843 3409 TIP3 H2 15.2591179232 33.9833345902 48.0561480943 SOLV 3208 0.0000000000
|
|
9844 3410 TIP3 OH2 8.3744049577 19.1809996032 47.8072650826 SOLV 3209 0.0000000000
|
|
9845 3410 TIP3 H1 8.0817091132 18.4683585181 47.2250139939 SOLV 3209 0.0000000000
|
|
9846 3410 TIP3 H2 7.5120452463 19.5821115741 48.0664662646 SOLV 3209 0.0000000000
|
|
9847 3411 TIP3 OH2 13.2437323177 34.6484921150 45.0275610603 SOLV 3210 0.0000000000
|
|
9848 3411 TIP3 H1 13.6984708929 33.8435279484 44.6887204983 SOLV 3210 0.0000000000
|
|
9849 3411 TIP3 H2 13.9492779550 35.3268592425 44.8892777224 SOLV 3210 0.0000000000
|
|
9850 3412 TIP3 OH2 14.5258131571 32.5150055254 44.0267235941 SOLV 3211 0.0000000000
|
|
9851 3412 TIP3 H1 14.5720101518 31.8086922176 43.3464932359 SOLV 3211 0.0000000000
|
|
9852 3412 TIP3 H2 14.5719628091 31.9746048643 44.8410608958 SOLV 3211 0.0000000000
|
|
9853 3413 TIP3 OH2 10.6528327372 27.8860910722 42.6054292824 SOLV 3212 0.0000000000
|
|
9854 3413 TIP3 H1 10.1187124521 28.6390014416 42.2664816494 SOLV 3212 0.0000000000
|
|
9855 3413 TIP3 H2 11.3843404780 27.8248400581 41.9604805203 SOLV 3212 0.0000000000
|
|
9856 3414 TIP3 OH2 10.8985180992 27.0912623604 38.9832514031 SOLV 3213 0.0000000000
|
|
9857 3414 TIP3 H1 11.5069646054 27.3497796431 39.7101396575 SOLV 3213 0.0000000000
|
|
9858 3414 TIP3 H2 11.3958319576 26.3472894353 38.5913273960 SOLV 3213 0.0000000000
|
|
9859 3415 TIP3 OH2 14.4949106105 28.3974927213 43.0358922408 SOLV 3214 0.0000000000
|
|
9860 3415 TIP3 H1 13.7524852354 28.5422781618 43.6631084676 SOLV 3214 0.0000000000
|
|
9861 3415 TIP3 H2 15.1332020312 27.8903863463 43.5870563925 SOLV 3214 0.0000000000
|
|
9862 3416 TIP3 OH2 5.8736273005 28.8916968661 44.9988751216 SOLV 3215 0.0000000000
|
|
9863 3416 TIP3 H1 5.5084433814 28.4361132985 44.2118408245 SOLV 3215 0.0000000000
|
|
9864 3416 TIP3 H2 6.5930873934 28.2803994538 45.2830885578 SOLV 3215 0.0000000000
|
|
9865 3417 TIP3 OH2 6.9861904250 32.4479741335 47.2976605335 SOLV 3216 0.0000000000
|
|
9866 3417 TIP3 H1 6.9517228698 32.4837489633 46.3151380952 SOLV 3216 0.0000000000
|
|
9867 3417 TIP3 H2 7.7297708556 31.8451357542 47.5026654969 SOLV 3216 0.0000000000
|
|
9868 3418 TIP3 OH2 6.8380250488 27.5816745059 48.6837938685 SOLV 3217 0.0000000000
|
|
9869 3418 TIP3 H1 6.4495717540 27.6795380479 47.8047566974 SOLV 3217 0.0000000000
|
|
9870 3418 TIP3 H2 6.5024166425 28.3542293643 49.1456660692 SOLV 3217 0.0000000000
|
|
9871 3419 TIP3 OH2 12.3024874034 33.7452787439 49.7612251046 SOLV 3218 0.0000000000
|
|
9872 3419 TIP3 H1 13.1030455284 33.8953659240 50.2931714242 SOLV 3218 0.0000000000
|
|
9873 3419 TIP3 H2 12.0518682688 32.8250922604 50.0001127789 SOLV 3218 0.0000000000
|
|
9874 3420 TIP3 OH2 12.8726103146 27.6529937834 40.9214734859 SOLV 3219 0.0000000000
|
|
9875 3420 TIP3 H1 13.5342062690 27.9988089881 41.5756499806 SOLV 3219 0.0000000000
|
|
9876 3420 TIP3 H2 13.2873172234 27.9556701606 40.0724778746 SOLV 3219 0.0000000000
|
|
9877 3421 TIP3 OH2 10.7638339169 33.8060002863 43.9440087596 SOLV 3220 0.0000000000
|
|
9878 3421 TIP3 H1 11.5788248408 34.1054212654 44.3856225072 SOLV 3220 0.0000000000
|
|
9879 3421 TIP3 H2 10.2663123414 34.6309434618 43.8368618842 SOLV 3220 0.0000000000
|
|
9880 3422 TIP3 OH2 16.8641984141 18.9975030359 40.9753352672 SOLV 3221 0.0000000000
|
|
9881 3422 TIP3 H1 15.9124196101 19.1654446969 41.1692793078 SOLV 3221 0.0000000000
|
|
9882 3422 TIP3 H2 17.0992706851 19.8572860833 40.5580770155 SOLV 3221 0.0000000000
|
|
9883 3423 TIP3 OH2 4.9151643113 27.7641403636 42.6853945337 SOLV 3222 0.0000000000
|
|
9884 3423 TIP3 H1 4.5305721505 28.5886050872 42.3401396515 SOLV 3222 0.0000000000
|
|
9885 3423 TIP3 H2 4.3032782303 27.1048957755 42.3290632794 SOLV 3222 0.0000000000
|
|
9886 3424 TIP3 OH2 17.9425747510 33.3953947100 39.1708084879 SOLV 3223 0.0000000000
|
|
9887 3424 TIP3 H1 18.1858026959 34.3464160395 39.1381744380 SOLV 3223 0.0000000000
|
|
9888 3424 TIP3 H2 18.8333878880 33.0135710546 39.2848721391 SOLV 3223 0.0000000000
|
|
9889 3425 TIP3 OH2 1.4717722751 33.1776528136 48.1348208736 SOLV 3224 0.0000000000
|
|
9890 3425 TIP3 H1 2.2986360747 32.7189195944 47.9631060448 SOLV 3224 0.0000000000
|
|
9891 3425 TIP3 H2 1.4439841318 33.1664843095 49.1131812259 SOLV 3224 0.0000000000
|
|
9892 3426 TIP3 OH2 10.6585154051 36.9050272558 42.6906417309 SOLV 3225 0.0000000000
|
|
9893 3426 TIP3 H1 10.4331314750 36.8799899112 41.7459439557 SOLV 3225 0.0000000000
|
|
9894 3426 TIP3 H2 10.3354888135 37.7963763280 42.9519368704 SOLV 3225 0.0000000000
|
|
9895 3427 TIP3 OH2 3.9694019528 35.7760678958 44.6728016665 SOLV 3226 0.0000000000
|
|
9896 3427 TIP3 H1 4.0905833134 35.5005343367 45.6058872470 SOLV 3226 0.0000000000
|
|
9897 3427 TIP3 H2 3.3415754197 35.0943803778 44.3571486867 SOLV 3226 0.0000000000
|
|
9898 3428 TIP3 OH2 13.4444255071 36.4928298060 39.5588494724 SOLV 3227 0.0000000000
|
|
9899 3428 TIP3 H1 13.9066259100 35.6642936264 39.2720921986 SOLV 3227 0.0000000000
|
|
9900 3428 TIP3 H2 13.5298450122 36.4196706275 40.5379263660 SOLV 3227 0.0000000000
|
|
9901 3429 TIP3 OH2 13.2137164821 36.3536775198 42.2254474169 SOLV 3228 0.0000000000
|
|
9902 3429 TIP3 H1 12.2711128358 36.5029405772 42.4945261933 SOLV 3228 0.0000000000
|
|
9903 3429 TIP3 H2 13.4884989799 35.6898267859 42.8733709325 SOLV 3228 0.0000000000
|
|
9904 3430 TIP3 OH2 6.0859586258 20.3110736911 48.6157123112 SOLV 3229 0.0000000000
|
|
9905 3430 TIP3 H1 5.1924074301 20.2741599963 48.2045487414 SOLV 3229 0.0000000000
|
|
9906 3430 TIP3 H2 6.0964468927 21.2211445719 48.9611201423 SOLV 3229 0.0000000000
|
|
9907 3431 TIP3 OH2 14.0212799604 28.5117703344 38.6118506435 SOLV 3230 0.0000000000
|
|
9908 3431 TIP3 H1 14.2293302613 28.5733901914 37.6623926270 SOLV 3230 0.0000000000
|
|
9909 3431 TIP3 H2 14.9419294247 28.3295892875 38.8942494640 SOLV 3230 0.0000000000
|
|
9910 3432 TIP3 OH2 9.9691733876 22.4241041509 39.2723671154 SOLV 3231 0.0000000000
|
|
9911 3432 TIP3 H1 9.2370328834 22.5211319406 39.8949824579 SOLV 3231 0.0000000000
|
|
9912 3432 TIP3 H2 9.6175622678 21.6766149516 38.7483845371 SOLV 3231 0.0000000000
|
|
9913 3433 TIP3 OH2 5.4624484071 25.4386758992 49.7994906539 SOLV 3232 0.0000000000
|
|
9914 3433 TIP3 H1 4.6412040754 25.9692974330 49.7581827510 SOLV 3232 0.0000000000
|
|
9915 3433 TIP3 H2 6.0804593764 26.0696470279 49.3589952456 SOLV 3232 0.0000000000
|
|
9916 3434 TIP3 OH2 6.0800028461 25.0717233856 44.5537940065 SOLV 3233 0.0000000000
|
|
9917 3434 TIP3 H1 5.1146822729 24.9357966123 44.4060944359 SOLV 3233 0.0000000000
|
|
9918 3434 TIP3 H2 6.4326436304 25.1150590991 43.6347732561 SOLV 3233 0.0000000000
|
|
9919 3435 TIP3 OH2 11.8556882830 25.4060918151 45.7184798341 SOLV 3234 0.0000000000
|
|
9920 3435 TIP3 H1 12.5118017502 26.1037946156 45.8925929037 SOLV 3234 0.0000000000
|
|
9921 3435 TIP3 H2 12.4015326819 24.7301558969 45.2629967777 SOLV 3234 0.0000000000
|
|
9922 3436 TIP3 OH2 6.8492200642 22.7082338984 38.3826149389 SOLV 3235 0.0000000000
|
|
9923 3436 TIP3 H1 6.2659548401 22.4219196118 39.1101183139 SOLV 3235 0.0000000000
|
|
9924 3436 TIP3 H2 6.3162362354 23.4085985781 37.9539565103 SOLV 3235 0.0000000000
|
|
9925 3437 TIP3 OH2 0.4360481978 23.0835319647 44.9218727335 SOLV 3236 0.0000000000
|
|
9926 3437 TIP3 H1 0.8727392071 22.7964347828 45.7563696381 SOLV 3236 0.0000000000
|
|
9927 3437 TIP3 H2 0.5111784191 22.2851913453 44.3787225173 SOLV 3236 0.0000000000
|
|
9928 3438 TIP3 OH2 1.9239261697 23.0651335513 41.0607228270 SOLV 3237 0.0000000000
|
|
9929 3438 TIP3 H1 2.1551494851 23.3959599244 40.1633292783 SOLV 3237 0.0000000000
|
|
9930 3438 TIP3 H2 1.5138820119 23.8547004819 41.4375285808 SOLV 3237 0.0000000000
|
|
9931 3439 TIP3 OH2 8.9270910746 23.2742569500 45.5510587722 SOLV 3238 0.0000000000
|
|
9932 3439 TIP3 H1 8.1151045215 22.9845740307 45.9919937444 SOLV 3238 0.0000000000
|
|
9933 3439 TIP3 H2 9.5014215493 22.5216693721 45.7711270490 SOLV 3238 0.0000000000
|
|
9934 3440 TIP3 OH2 3.5014624374 24.4277324187 44.2773011474 SOLV 3239 0.0000000000
|
|
9935 3440 TIP3 H1 2.7185382441 24.7954790222 43.8067294946 SOLV 3239 0.0000000000
|
|
9936 3440 TIP3 H2 3.5945876702 23.5435668614 43.8775690591 SOLV 3239 0.0000000000
|
|
9937 3441 TIP3 OH2 7.2504426747 24.8921222270 41.9318269719 SOLV 3240 0.0000000000
|
|
9938 3441 TIP3 H1 7.5563053368 24.0456427657 41.5786368432 SOLV 3240 0.0000000000
|
|
9939 3441 TIP3 H2 6.7328017191 25.2574470289 41.1866448296 SOLV 3240 0.0000000000
|
|
9940 3442 TIP3 OH2 12.6348524816 22.4102732908 48.8614928840 SOLV 3241 0.0000000000
|
|
9941 3442 TIP3 H1 12.4929187721 21.9826370276 49.7168490471 SOLV 3241 0.0000000000
|
|
9942 3442 TIP3 H2 12.0906226493 21.8493588099 48.2871789056 SOLV 3241 0.0000000000
|
|
9943 3443 TIP3 OH2 5.8072874278 25.7342275212 39.5801007147 SOLV 3242 0.0000000000
|
|
9944 3443 TIP3 H1 5.3924658773 25.3264163635 38.8025453912 SOLV 3242 0.0000000000
|
|
9945 3443 TIP3 H2 6.5819602806 26.1374826146 39.1451416695 SOLV 3242 0.0000000000
|
|
9946 3444 TIP3 OH2 9.3033046321 25.8805077603 47.8348045354 SOLV 3243 0.0000000000
|
|
9947 3444 TIP3 H1 10.1417134612 25.4289090724 47.6544090144 SOLV 3243 0.0000000000
|
|
9948 3444 TIP3 H2 8.9808358715 25.4070563717 48.6375709754 SOLV 3243 0.0000000000
|
|
9949 3445 TIP3 OH2 4.5699335859 21.6909692096 43.9008925669 SOLV 3244 0.0000000000
|
|
9950 3445 TIP3 H1 3.8046737952 21.1742189057 44.2382540080 SOLV 3244 0.0000000000
|
|
9951 3445 TIP3 H2 5.1325024165 20.9778535182 43.5527059189 SOLV 3244 0.0000000000
|
|
9952 3446 TIP3 OH2 8.6487665395 24.3822829862 49.8989393140 SOLV 3245 0.0000000000
|
|
9953 3446 TIP3 H1 7.8588151200 23.8176225549 49.8227087748 SOLV 3245 0.0000000000
|
|
9954 3446 TIP3 H2 9.2691893760 23.7903333681 50.3832579144 SOLV 3245 0.0000000000
|
|
9955 3447 TIP3 OH2 9.1219419287 29.9907647830 41.7553789236 SOLV 3246 0.0000000000
|
|
9956 3447 TIP3 H1 8.3740266094 29.7097598656 41.1855028819 SOLV 3246 0.0000000000
|
|
9957 3447 TIP3 H2 8.5948182962 30.3845922764 42.4970874276 SOLV 3246 0.0000000000
|
|
9958 3448 TIP3 OH2 12.5752392506 22.7933433843 40.0141724677 SOLV 3247 0.0000000000
|
|
9959 3448 TIP3 H1 11.6236914841 22.8095344263 39.7918504070 SOLV 3247 0.0000000000
|
|
9960 3448 TIP3 H2 12.7348395189 23.7074724936 40.3291981128 SOLV 3247 0.0000000000
|
|
9961 3449 TIP3 OH2 13.2877298875 25.0307830534 41.2734117772 SOLV 3248 0.0000000000
|
|
9962 3449 TIP3 H1 14.1792348588 24.9869470245 41.6573876766 SOLV 3248 0.0000000000
|
|
9963 3449 TIP3 H2 13.1703118426 25.9620325310 41.0178064326 SOLV 3248 0.0000000000
|
|
9964 3450 TIP3 OH2 4.3954424675 29.6226789749 47.3885808149 SOLV 3249 0.0000000000
|
|
9965 3450 TIP3 H1 4.9175565341 29.5309647639 46.5607503688 SOLV 3249 0.0000000000
|
|
9966 3450 TIP3 H2 3.6185446492 29.0804139307 47.1471154772 SOLV 3249 0.0000000000
|
|
9967 3451 TIP3 OH2 11.0043757716 31.4440596868 40.6121308843 SOLV 3250 0.0000000000
|
|
9968 3451 TIP3 H1 10.7529564601 32.3521020324 40.8945840706 SOLV 3250 0.0000000000
|
|
9969 3451 TIP3 H2 10.3116227516 30.8992397485 41.0471620102 SOLV 3250 0.0000000000
|
|
9970 3452 TIP3 OH2 17.8679675740 25.4477327824 40.9935892537 SOLV 3251 0.0000000000
|
|
9971 3452 TIP3 H1 17.3470584852 25.3142187541 40.1612646630 SOLV 3251 0.0000000000
|
|
9972 3452 TIP3 H2 18.1132388576 26.3849532467 40.8256501534 SOLV 3251 0.0000000000
|
|
9973 3453 TIP3 OH2 16.2944230625 34.0756672339 41.5224276261 SOLV 3252 0.0000000000
|
|
9974 3453 TIP3 H1 16.0747976085 33.3009551174 42.0529688333 SOLV 3252 0.0000000000
|
|
9975 3453 TIP3 H2 16.8170297169 33.7063624763 40.7906409171 SOLV 3252 0.0000000000
|
|
9976 3454 TIP3 OH2 13.7203088340 28.5218747866 48.2171304485 SOLV 3253 0.0000000000
|
|
9977 3454 TIP3 H1 12.7684123415 28.6173691758 48.0106908790 SOLV 3253 0.0000000000
|
|
9978 3454 TIP3 H2 14.0039481008 27.8221741330 47.5977315644 SOLV 3253 0.0000000000
|
|
9979 3455 TIP3 OH2 6.3801318018 33.2032968719 44.7087017937 SOLV 3254 0.0000000000
|
|
9980 3455 TIP3 H1 6.7327812895 34.1049313837 44.4754490098 SOLV 3254 0.0000000000
|
|
9981 3455 TIP3 H2 5.4515757012 33.3496478326 44.5320260543 SOLV 3254 0.0000000000
|
|
9982 3456 TIP3 OH2 2.2604639150 27.8153199735 39.4788997681 SOLV 3255 0.0000000000
|
|
9983 3456 TIP3 H1 2.9577610768 28.3406880327 39.9256911396 SOLV 3255 0.0000000000
|
|
9984 3456 TIP3 H2 1.4471041098 28.2373073604 39.8119506215 SOLV 3255 0.0000000000
|
|
9985 3457 TIP3 OH2 7.4196584330 30.8609914981 43.6783847679 SOLV 3256 0.0000000000
|
|
9986 3457 TIP3 H1 7.2289247625 31.7392237233 44.0331908488 SOLV 3256 0.0000000000
|
|
9987 3457 TIP3 H2 6.7767872300 30.3174391701 44.1813644143 SOLV 3256 0.0000000000
|
|
9988 3458 TIP3 OH2 6.5166771640 35.8135341292 43.7216346198 SOLV 3257 0.0000000000
|
|
9989 3458 TIP3 H1 5.6029122364 36.0208157043 44.0237759419 SOLV 3257 0.0000000000
|
|
9990 3458 TIP3 H2 6.9752341628 36.6047296135 44.0709959931 SOLV 3257 0.0000000000
|
|
9991 3459 TIP3 OH2 14.3512878675 32.0850665182 39.6969595350 SOLV 3258 0.0000000000
|
|
9992 3459 TIP3 H1 14.6317853085 31.7316480348 40.5670027807 SOLV 3258 0.0000000000
|
|
9993 3459 TIP3 H2 13.4371777321 31.7637233798 39.6233829784 SOLV 3258 0.0000000000
|
|
9994 3460 TIP3 OH2 18.5026195913 36.0805933631 39.4618311676 SOLV 3259 0.0000000000
|
|
9995 3460 TIP3 H1 18.8979616495 36.6875887942 38.8212202364 SOLV 3259 0.0000000000
|
|
9996 3460 TIP3 H2 17.8257219606 36.6580844963 39.8778020490 SOLV 3259 0.0000000000
|
|
9997 3461 TIP3 OH2 15.1319111727 30.7063570531 41.8621627477 SOLV 3260 0.0000000000
|
|
9998 3461 TIP3 H1 14.8967484308 29.8114820959 42.1811778980 SOLV 3260 0.0000000000
|
|
9999 3461 TIP3 H2 16.1160742555 30.6832012649 41.9468327071 SOLV 3260 0.0000000000
|
|
10000 3462 TIP3 OH2 8.0092133096 33.1638375122 38.0487016865 SOLV 3261 0.0000000000
|
|
10001 3462 TIP3 H1 8.1046221342 32.4068698194 37.4529718056 SOLV 3261 0.0000000000
|
|
10002 3462 TIP3 H2 7.5731001284 32.7428137184 38.8198914583 SOLV 3261 0.0000000000
|
|
10003 3463 TIP3 OH2 7.0085157584 32.5691312081 40.5427185053 SOLV 3262 0.0000000000
|
|
10004 3463 TIP3 H1 7.6654833028 32.2445708018 41.1663082905 SOLV 3262 0.0000000000
|
|
10005 3463 TIP3 H2 6.9991759934 33.5291579595 40.7553221428 SOLV 3262 0.0000000000
|
|
10006 3464 TIP3 OH2 3.5296534581 29.7589432978 40.9284827949 SOLV 3263 0.0000000000
|
|
10007 3464 TIP3 H1 2.7316334883 30.2103606962 41.2830307378 SOLV 3263 0.0000000000
|
|
10008 3464 TIP3 H2 3.9642094404 30.5393421211 40.5338672626 SOLV 3263 0.0000000000
|
|
10009 3465 TIP3 OH2 12.6966929904 21.6556376782 42.7588524627 SOLV 3264 0.0000000000
|
|
10010 3465 TIP3 H1 12.6249400142 21.9549420400 41.8313339940 SOLV 3264 0.0000000000
|
|
10011 3465 TIP3 H2 12.9060287405 22.4773444725 43.2535828986 SOLV 3264 0.0000000000
|
|
10012 3466 TIP3 OH2 9.9974953544 33.9981645621 41.0587415828 SOLV 3265 0.0000000000
|
|
10013 3466 TIP3 H1 9.1299070661 34.3646546046 41.2889470005 SOLV 3265 0.0000000000
|
|
10014 3466 TIP3 H2 10.4292668856 34.8116465771 40.7567501699 SOLV 3265 0.0000000000
|
|
10015 3467 TIP3 OH2 10.1392666620 21.7294970434 43.4936110697 SOLV 3266 0.0000000000
|
|
10016 3467 TIP3 H1 9.9600336616 21.3284794292 44.3698341574 SOLV 3266 0.0000000000
|
|
10017 3467 TIP3 H2 11.0417018632 21.3764494977 43.3190361659 SOLV 3266 0.0000000000
|
|
10018 3468 TIP3 OH2 7.4350111833 35.0401903410 41.2612225647 SOLV 3267 0.0000000000
|
|
10019 3468 TIP3 H1 7.5588328349 35.8613953400 40.7215866590 SOLV 3267 0.0000000000
|
|
10020 3468 TIP3 H2 7.0355626562 35.4312894658 42.0731184134 SOLV 3267 0.0000000000
|
|
10021 3469 TIP3 OH2 5.6274635014 21.9624347067 40.7136136804 SOLV 3268 0.0000000000
|
|
10022 3469 TIP3 H1 5.4285825300 22.6787179390 41.3448944937 SOLV 3268 0.0000000000
|
|
10023 3469 TIP3 H2 6.5722736253 21.8085976193 40.9287524812 SOLV 3268 0.0000000000
|
|
10024 3470 TIP3 OH2 14.4385698914 26.0983735189 47.0560794948 SOLV 3269 0.0000000000
|
|
10025 3470 TIP3 H1 13.8188823934 25.8955791838 47.7902786115 SOLV 3269 0.0000000000
|
|
10026 3470 TIP3 H2 15.2459811613 25.6604841554 47.4044911134 SOLV 3269 0.0000000000
|
|
10027 3471 TIP3 OH2 4.5413978468 31.9387703195 39.5836287443 SOLV 3270 0.0000000000
|
|
10028 3471 TIP3 H1 5.4073142076 32.2835407227 39.9317611147 SOLV 3270 0.0000000000
|
|
10029 3471 TIP3 H2 4.8756441140 31.2915001639 38.9242521701 SOLV 3270 0.0000000000
|
|
10030 3472 TIP3 OH2 2.0565275969 24.9242961065 38.9604647365 SOLV 3271 0.0000000000
|
|
10031 3472 TIP3 H1 2.3435479223 25.8317300995 39.1553909757 SOLV 3271 0.0000000000
|
|
10032 3472 TIP3 H2 1.6515794209 25.0204962001 38.0756913340 SOLV 3271 0.0000000000
|
|
10033 3473 TIP3 OH2 15.9765459991 36.0163328451 48.8252610955 SOLV 3272 0.0000000000
|
|
10034 3473 TIP3 H1 15.9442037471 36.6666699230 48.0914439174 SOLV 3272 0.0000000000
|
|
10035 3473 TIP3 H2 16.9294498640 35.8095816158 48.8120060955 SOLV 3272 0.0000000000
|
|
10036 3474 TIP3 OH2 3.6302797140 20.2174470752 47.5148686099 SOLV 3273 0.0000000000
|
|
10037 3474 TIP3 H1 3.4384607312 20.1611213903 46.5527921688 SOLV 3273 0.0000000000
|
|
10038 3474 TIP3 H2 3.2194602843 19.3505222489 47.7723463311 SOLV 3273 0.0000000000
|
|
10039 3475 TIP3 OH2 2.2597875021 33.8015553730 43.6434989826 SOLV 3274 0.0000000000
|
|
10040 3475 TIP3 H1 1.3838546095 33.8501402222 44.0503366189 SOLV 3274 0.0000000000
|
|
10041 3475 TIP3 H2 2.1346558445 34.4304727603 42.9017815566 SOLV 3274 0.0000000000
|
|
10042 3476 TIP3 OH2 9.9876057536 34.9203280219 37.6712976813 SOLV 3275 0.0000000000
|
|
10043 3476 TIP3 H1 9.4119892485 34.1622194077 37.9191799646 SOLV 3275 0.0000000000
|
|
10044 3476 TIP3 H2 10.8002801676 34.4656730367 37.3539739450 SOLV 3275 0.0000000000
|
|
10045 3477 TIP3 OH2 14.5929886726 34.3743036108 38.1969476295 SOLV 3276 0.0000000000
|
|
10046 3477 TIP3 H1 14.6923152936 33.5451925593 38.7310326934 SOLV 3276 0.0000000000
|
|
10047 3477 TIP3 H2 15.3692873928 34.3283368235 37.6119308177 SOLV 3276 0.0000000000
|
|
10048 3478 TIP3 OH2 5.8079492105 30.0797562633 37.9499906193 SOLV 3277 0.0000000000
|
|
10049 3478 TIP3 H1 6.0607462305 29.5647773730 38.7447559388 SOLV 3277 0.0000000000
|
|
10050 3478 TIP3 H2 6.6787317129 30.0945839849 37.4948525534 SOLV 3277 0.0000000000
|
|
10051 3479 TIP3 OH2 11.5845039801 31.5756026455 37.9671777556 SOLV 3278 0.0000000000
|
|
10052 3479 TIP3 H1 11.1703089167 31.6339170330 38.8476234517 SOLV 3278 0.0000000000
|
|
10053 3479 TIP3 H2 11.3991966498 30.6449202345 37.7534280316 SOLV 3278 0.0000000000
|
|
10054 3480 TIP3 OH2 6.8336824830 28.8651144982 40.3293554755 SOLV 3279 0.0000000000
|
|
10055 3480 TIP3 H1 6.2539920494 28.3508157186 40.9115913394 SOLV 3279 0.0000000000
|
|
10056 3480 TIP3 H2 7.2964359869 28.1706821303 39.8170690834 SOLV 3279 0.0000000000
|
|
10057 3481 TIP3 OH2 8.1426607940 26.9829642508 38.6763383760 SOLV 3280 0.0000000000
|
|
10058 3481 TIP3 H1 8.1669314009 27.2893455451 37.7492478240 SOLV 3280 0.0000000000
|
|
10059 3481 TIP3 H2 9.1070680018 26.8933158022 38.8722317895 SOLV 3280 0.0000000000
|
|
10060 3482 TIP3 OH2 16.9136807666 28.8319482952 38.4241541729 SOLV 3281 0.0000000000
|
|
10061 3482 TIP3 H1 16.9460888631 28.5289129702 37.4980215972 SOLV 3281 0.0000000000
|
|
10062 3482 TIP3 H2 16.8309601062 29.8229074323 38.2959005445 SOLV 3281 0.0000000000
|
|
10063 3483 TIP3 OH2 8.0235058907 37.3281689370 40.0049258870 SOLV 3282 0.0000000000
|
|
10064 3483 TIP3 H1 8.9576540774 37.1201448402 39.8404654442 SOLV 3282 0.0000000000
|
|
10065 3483 TIP3 H2 7.9636857569 38.1712944194 39.5292141236 SOLV 3282 0.0000000000
|
|
10066 3484 TIP3 OH2 2.0003541733 32.8057516474 38.5994890529 SOLV 3283 0.0000000000
|
|
10067 3484 TIP3 H1 2.8501912566 32.6497306058 39.0531028211 SOLV 3283 0.0000000000
|
|
10068 3484 TIP3 H2 1.7511995576 31.9001326415 38.3600263970 SOLV 3283 0.0000000000
|
|
10069 3485 TIP3 OH2 0.4995258137 37.5817467331 44.3383997884 SOLV 3284 0.0000000000
|
|
10070 3485 TIP3 H1 -0.3352052157 37.3535632332 43.9027618415 SOLV 3284 0.0000000000
|
|
10071 3485 TIP3 H2 0.5780514949 36.8266055362 44.9399657006 SOLV 3284 0.0000000000
|
|
10072 3486 TIP3 OH2 1.0558700721 35.3008795931 46.3488473139 SOLV 3285 0.0000000000
|
|
10073 3486 TIP3 H1 1.1756494770 34.3839640043 46.7054743675 SOLV 3285 0.0000000000
|
|
10074 3486 TIP3 H2 1.7167961743 35.7682625437 46.8972171995 SOLV 3285 0.0000000000
|
|
10075 3487 TIP3 OH2 18.8172122807 35.7548360165 49.1349147497 SOLV 3286 0.0000000000
|
|
10076 3487 TIP3 H1 18.7823865015 36.1437212613 50.0352233752 SOLV 3286 0.0000000000
|
|
10077 3487 TIP3 H2 19.6162570304 36.1953367280 48.8123039409 SOLV 3286 0.0000000000
|
|
10078 3488 TIP3 OH2 17.8594000232 30.1049871572 42.1241897557 SOLV 3287 0.0000000000
|
|
10079 3488 TIP3 H1 18.7218174766 30.5698341617 42.2099591894 SOLV 3287 0.0000000000
|
|
10080 3488 TIP3 H2 17.9328089481 29.4067204278 42.8026730787 SOLV 3287 0.0000000000
|
|
10081 3489 TIP3 OH2 18.2325037392 27.9076693358 44.1510474807 SOLV 3288 0.0000000000
|
|
10082 3489 TIP3 H1 17.3877323152 27.4892140124 44.4146115939 SOLV 3288 0.0000000000
|
|
10083 3489 TIP3 H2 18.7589620665 27.8757567560 44.9852560907 SOLV 3288 0.0000000000
|
|
10084 3490 TIP3 OH2 19.0994960884 31.1294268103 49.4316188656 SOLV 3289 0.0000000000
|
|
10085 3490 TIP3 H1 19.2750360469 30.3330354627 48.8985687308 SOLV 3289 0.0000000000
|
|
10086 3490 TIP3 H2 19.1035300393 31.8666752720 48.7814664833 SOLV 3289 0.0000000000
|
|
10087 3491 TIP3 OH2 18.5784767561 27.9361066262 40.2968367513 SOLV 3290 0.0000000000
|
|
10088 3491 TIP3 H1 17.9083776153 28.0723223541 39.5740136487 SOLV 3290 0.0000000000
|
|
10089 3491 TIP3 H2 18.3756190355 28.7094640869 40.8495655844 SOLV 3290 0.0000000000
|
|
10090 3492 TIP3 OH2 16.7772487955 25.4570207595 38.4952851603 SOLV 3291 0.0000000000
|
|
10091 3492 TIP3 H1 17.0704103525 25.7729060025 37.6167097147 SOLV 3291 0.0000000000
|
|
10092 3492 TIP3 H2 16.5702968886 24.5199497649 38.2561593120 SOLV 3291 0.0000000000
|
|
10093 3493 TIP3 OH2 15.9010009785 26.6858185213 44.6721533012 SOLV 3292 0.0000000000
|
|
10094 3493 TIP3 H1 15.7555073212 25.8510223099 44.1915611175 SOLV 3292 0.0000000000
|
|
10095 3493 TIP3 H2 15.4042985063 26.5287554862 45.5020918015 SOLV 3292 0.0000000000
|
|
10096 3494 TIP3 OH2 1.1377821296 28.0596617469 48.8903997083 SOLV 3293 0.0000000000
|
|
10097 3494 TIP3 H1 1.2597596326 28.3602769883 47.9636399059 SOLV 3293 0.0000000000
|
|
10098 3494 TIP3 H2 2.0391758883 28.2460482147 49.1892664243 SOLV 3293 0.0000000000
|
|
10099 3495 TIP3 OH2 15.9048973035 22.9052640055 37.8586311955 SOLV 3294 0.0000000000
|
|
10100 3495 TIP3 H1 16.3885396456 22.2651307742 38.3786642336 SOLV 3294 0.0000000000
|
|
10101 3495 TIP3 H2 15.0551505134 22.4535926661 37.7178164005 SOLV 3294 0.0000000000
|
|
10102 3496 TIP3 OH2 15.8109544768 24.4889043454 42.6895019772 SOLV 3295 0.0000000000
|
|
10103 3496 TIP3 H1 16.0726262668 23.5656968970 42.8127753420 SOLV 3295 0.0000000000
|
|
10104 3496 TIP3 H2 16.5899196453 24.8108077961 42.1849506699 SOLV 3295 0.0000000000
|
|
10105 3497 TIP3 OH2 16.3433252563 24.4202971899 48.2278854795 SOLV 3296 0.0000000000
|
|
10106 3497 TIP3 H1 17.2789403451 24.7259588460 48.3331572089 SOLV 3296 0.0000000000
|
|
10107 3497 TIP3 H2 16.2425842876 23.8519407737 49.0243919239 SOLV 3296 0.0000000000
|
|
10108 3498 TIP3 OH2 16.4109322339 21.5739824033 42.9456580678 SOLV 3297 0.0000000000
|
|
10109 3498 TIP3 H1 16.6166424856 21.2509151081 43.8405532716 SOLV 3297 0.0000000000
|
|
10110 3498 TIP3 H2 15.7200992656 20.9320165822 42.6725076870 SOLV 3297 0.0000000000
|
|
10111 3499 TIP3 OH2 1.6595647822 22.2199627758 47.3360703776 SOLV 3298 0.0000000000
|
|
10112 3499 TIP3 H1 2.1453695471 21.3945420990 47.5158461209 SOLV 3298 0.0000000000
|
|
10113 3499 TIP3 H2 2.3673758035 22.8483107514 47.5934043789 SOLV 3298 0.0000000000
|
|
10114 3500 TIP3 OH2 0.4426533193 25.5339613231 49.4043446079 SOLV 3299 0.0000000000
|
|
10115 3500 TIP3 H1 0.5824288561 25.1964797043 48.5089920117 SOLV 3299 0.0000000000
|
|
10116 3500 TIP3 H2 0.7235123628 26.4752656184 49.2999405152 SOLV 3299 0.0000000000
|
|
10117 3501 TIP3 OH2 17.7380541125 21.1946410200 39.5520858063 SOLV 3300 0.0000000000
|
|
10118 3501 TIP3 H1 18.2201882407 20.7791808574 38.8028689419 SOLV 3300 0.0000000000
|
|
10119 3501 TIP3 H2 18.4290670042 21.7384362857 39.9748777092 SOLV 3300 0.0000000000
|
|
10120 3502 TIP3 OH2 0.8114869061 21.2271795060 42.7993312897 SOLV 3301 0.0000000000
|
|
10121 3502 TIP3 H1 0.9175016286 20.2824616257 42.6472693958 SOLV 3301 0.0000000000
|
|
10122 3502 TIP3 H2 1.2864916507 21.6115602711 42.0345950076 SOLV 3301 0.0000000000
|
|
10123 3503 TIP3 OH2 15.0712447692 36.4543122716 44.5070600924 SOLV 3302 0.0000000000
|
|
10124 3503 TIP3 H1 15.9223546434 36.4919194033 44.0272654503 SOLV 3302 0.0000000000
|
|
10125 3503 TIP3 H2 15.3097975995 36.9478694377 45.3176809286 SOLV 3302 0.0000000000
|
|
10126 3504 TIP3 OH2 10.3099547599 38.6326519880 49.3819740307 SOLV 3303 0.0000000000
|
|
10127 3504 TIP3 H1 9.5533961835 38.2650705175 48.8855860264 SOLV 3303 0.0000000000
|
|
10128 3504 TIP3 H2 10.5715860431 37.8673227665 49.9194191963 SOLV 3303 0.0000000000
|
|
10129 3505 TIP3 OH2 2.7869488336 36.6223589815 48.1169781363 SOLV 3304 0.0000000000
|
|
10130 3505 TIP3 H1 2.7971779514 36.4715452682 49.0910130956 SOLV 3304 0.0000000000
|
|
10131 3505 TIP3 H2 3.5283709620 36.0388605054 47.8404709029 SOLV 3304 0.0000000000
|
|
10132 3506 TIP3 OH2 4.6528919454 34.8241464509 47.2197746362 SOLV 3305 0.0000000000
|
|
10133 3506 TIP3 H1 4.5154796728 33.9019946037 47.5218091832 SOLV 3305 0.0000000000
|
|
10134 3506 TIP3 H2 5.5219559834 34.9916857168 47.6468246444 SOLV 3305 0.0000000000
|
|
10135 3507 TIP3 OH2 7.1680418007 35.0381025690 48.0977457112 SOLV 3306 0.0000000000
|
|
10136 3507 TIP3 H1 7.2483761370 34.0770444477 47.8971945115 SOLV 3306 0.0000000000
|
|
10137 3507 TIP3 H2 7.4736328168 35.0510218616 49.0166736025 SOLV 3306 0.0000000000
|
|
10138 3508 TIP3 OH2 10.1019218765 20.7548721200 46.0416075893 SOLV 3307 0.0000000000
|
|
10139 3508 TIP3 H1 9.4821905160 20.3267943069 46.6742648614 SOLV 3307 0.0000000000
|
|
10140 3508 TIP3 H2 10.9480683834 20.3760425737 46.3115340571 SOLV 3307 0.0000000000
|
|
10141 3509 TIP3 OH2 15.7671766209 18.8754771920 46.8770424809 SOLV 3308 0.0000000000
|
|
10142 3509 TIP3 H1 16.3353852385 19.5599790260 46.4443389127 SOLV 3308 0.0000000000
|
|
10143 3509 TIP3 H2 14.9294538359 19.3609596505 47.0396287151 SOLV 3308 0.0000000000
|
|
10144 3510 TIP3 OH2 17.3344128770 20.3647944452 45.3461162767 SOLV 3309 0.0000000000
|
|
10145 3510 TIP3 H1 18.0489984896 19.8013721210 44.9836606689 SOLV 3309 0.0000000000
|
|
10146 3510 TIP3 H2 17.8706927039 21.1792629484 45.5022337912 SOLV 3309 0.0000000000
|
|
10147 3511 TIP3 OH2 2.9844113763 19.7620161991 44.9431969057 SOLV 3310 0.0000000000
|
|
10148 3511 TIP3 H1 2.0579901433 19.4944313338 44.7399488177 SOLV 3310 0.0000000000
|
|
10149 3511 TIP3 H2 3.4481573807 18.9176991940 44.7274076381 SOLV 3310 0.0000000000
|
|
10150 3512 TIP3 OH2 2.0185334984 19.3013426093 40.4887607519 SOLV 3311 0.0000000000
|
|
10151 3512 TIP3 H1 2.0607949351 19.6148661718 39.5729975218 SOLV 3311 0.0000000000
|
|
10152 3512 TIP3 H2 2.7839815035 19.7890474134 40.8327052557 SOLV 3311 0.0000000000
|
|
10153 3513 TIP3 OH2 12.9330075078 19.7661813229 46.4479532230 SOLV 3312 0.0000000000
|
|
10154 3513 TIP3 H1 12.9192755982 19.6932895815 45.4882638824 SOLV 3312 0.0000000000
|
|
10155 3513 TIP3 H2 12.6021675336 18.8722200773 46.7016054975 SOLV 3312 0.0000000000
|
|
10156 3514 TIP3 OH2 14.5171759293 19.7414436786 42.1942599773 SOLV 3313 0.0000000000
|
|
10157 3514 TIP3 H1 13.7762763276 20.3616851501 42.3918587806 SOLV 3313 0.0000000000
|
|
10158 3514 TIP3 H2 14.1499299920 18.8860779374 42.4995584951 SOLV 3313 0.0000000000
|
|
10159 3515 TIP3 OH2 1.5815725475 35.5218699394 41.5835116471 SOLV 3314 0.0000000000
|
|
10160 3515 TIP3 H1 1.2015461187 35.0761557050 40.8161783108 SOLV 3314 0.0000000000
|
|
10161 3515 TIP3 H2 1.7520272490 36.4106177120 41.2068130628 SOLV 3314 0.0000000000
|
|
10162 3516 TIP3 OH2 3.8033193666 21.0209426483 38.9298085834 SOLV 3315 0.0000000000
|
|
10163 3516 TIP3 H1 4.3916022696 20.5499598158 38.2943964257 SOLV 3315 0.0000000000
|
|
10164 3516 TIP3 H2 4.4513810298 21.2478120889 39.6205913454 SOLV 3315 0.0000000000
|
|
10165 3517 TIP3 OH2 8.2424047236 21.8013207486 41.6196473919 SOLV 3316 0.0000000000
|
|
10166 3517 TIP3 H1 8.3225977620 20.8612840542 41.3913361955 SOLV 3316 0.0000000000
|
|
10167 3517 TIP3 H2 8.9398114125 21.8623474292 42.3282395375 SOLV 3316 0.0000000000
|
|
10168 3518 TIP3 OH2 10.6914958861 36.4353621307 39.9048918813 SOLV 3317 0.0000000000
|
|
10169 3518 TIP3 H1 11.6510491827 36.6213466517 39.7830411233 SOLV 3317 0.0000000000
|
|
10170 3518 TIP3 H2 10.4949098285 35.9374479403 39.0791731370 SOLV 3317 0.0000000000
|
|
10171 3519 TIP3 OH2 17.2599313088 36.1974139789 42.9672648599 SOLV 3318 0.0000000000
|
|
10172 3519 TIP3 H1 17.0574351921 35.3927571654 42.4346719598 SOLV 3318 0.0000000000
|
|
10173 3519 TIP3 H2 17.2335715059 36.8707019283 42.2460668547 SOLV 3318 0.0000000000
|
|
10174 3520 TIP3 OH2 3.9089504484 36.2614178787 38.3199967069 SOLV 3319 0.0000000000
|
|
10175 3520 TIP3 H1 3.7684127750 36.1110132399 39.2624396452 SOLV 3319 0.0000000000
|
|
10176 3520 TIP3 H2 4.6721483749 35.6583721839 38.1134138028 SOLV 3319 0.0000000000
|
|
10177 3521 TIP3 OH2 30.9089460378 28.7604865537 44.4411414472 SOLV 3320 0.0000000000
|
|
10178 3521 TIP3 H1 30.9682161376 29.5535157883 44.9970869095 SOLV 3320 0.0000000000
|
|
10179 3521 TIP3 H2 30.1998288325 29.0258119479 43.8276023092 SOLV 3320 0.0000000000
|
|
10180 3522 TIP3 OH2 29.7224733920 28.0305235056 48.5060059937 SOLV 3321 0.0000000000
|
|
10181 3522 TIP3 H1 29.8115674636 27.7131340872 49.4294343830 SOLV 3321 0.0000000000
|
|
10182 3522 TIP3 H2 29.1287119774 27.3518223319 48.1317329943 SOLV 3321 0.0000000000
|
|
10183 3523 TIP3 OH2 22.2164459401 28.0149712316 49.4413448493 SOLV 3322 0.0000000000
|
|
10184 3523 TIP3 H1 21.8336191742 28.0070473432 50.3464020653 SOLV 3322 0.0000000000
|
|
10185 3523 TIP3 H2 23.1321090518 28.2743857093 49.6434102403 SOLV 3322 0.0000000000
|
|
10186 3524 TIP3 OH2 33.2532004925 30.5682915829 46.3729884373 SOLV 3323 0.0000000000
|
|
10187 3524 TIP3 H1 33.1794983694 29.8906550717 47.0717540734 SOLV 3323 0.0000000000
|
|
10188 3524 TIP3 H2 33.4963435406 31.3563372201 46.8968934923 SOLV 3323 0.0000000000
|
|
10189 3525 TIP3 OH2 23.4528405928 32.3250460464 48.2697391776 SOLV 3324 0.0000000000
|
|
10190 3525 TIP3 H1 23.1030616566 31.4569751399 47.9887124105 SOLV 3324 0.0000000000
|
|
10191 3525 TIP3 H2 24.3226081028 32.3182130421 47.8185034466 SOLV 3324 0.0000000000
|
|
10192 3526 TIP3 OH2 19.7795841251 25.5667861991 43.0682201705 SOLV 3325 0.0000000000
|
|
10193 3526 TIP3 H1 19.5583910477 26.4083868488 43.4905269716 SOLV 3325 0.0000000000
|
|
10194 3526 TIP3 H2 19.1942140257 25.6067763758 42.2912530894 SOLV 3325 0.0000000000
|
|
10195 3527 TIP3 OH2 20.1818688714 27.8031842194 46.0669478048 SOLV 3326 0.0000000000
|
|
10196 3527 TIP3 H1 20.6145887070 26.9674083806 46.3640658923 SOLV 3326 0.0000000000
|
|
10197 3527 TIP3 H2 20.8986159490 28.3252204903 45.6769616706 SOLV 3326 0.0000000000
|
|
10198 3528 TIP3 OH2 30.8017186199 36.2679877802 46.8627444713 SOLV 3327 0.0000000000
|
|
10199 3528 TIP3 H1 30.9101098834 35.3151670551 46.7468643212 SOLV 3327 0.0000000000
|
|
10200 3528 TIP3 H2 30.3573909936 36.3287034280 47.7174585026 SOLV 3327 0.0000000000
|
|
10201 3529 TIP3 OH2 27.8492884992 30.3954264632 48.9553075422 SOLV 3328 0.0000000000
|
|
10202 3529 TIP3 H1 28.1937135429 29.7108969574 48.3659315659 SOLV 3328 0.0000000000
|
|
10203 3529 TIP3 H2 28.6985520516 30.7707186362 49.2583707610 SOLV 3328 0.0000000000
|
|
10204 3530 TIP3 OH2 37.7543770606 22.3694033196 49.3735365402 SOLV 3329 0.0000000000
|
|
10205 3530 TIP3 H1 37.5323677317 23.1970600589 48.9234881105 SOLV 3329 0.0000000000
|
|
10206 3530 TIP3 H2 38.4232376966 22.0104725958 48.7497402898 SOLV 3329 0.0000000000
|
|
10207 3531 TIP3 OH2 31.1868688845 25.1692545857 49.2324669753 SOLV 3330 0.0000000000
|
|
10208 3531 TIP3 H1 31.4004736877 24.2206459524 49.2110439471 SOLV 3330 0.0000000000
|
|
10209 3531 TIP3 H2 31.0988049877 25.2919691189 48.2861083184 SOLV 3330 0.0000000000
|
|
10210 3532 TIP3 OH2 25.0399865322 22.6811793954 46.0691548129 SOLV 3331 0.0000000000
|
|
10211 3532 TIP3 H1 25.0646737190 23.5570197139 45.6259487743 SOLV 3331 0.0000000000
|
|
10212 3532 TIP3 H2 24.4446457491 22.2083930655 45.4590749326 SOLV 3331 0.0000000000
|
|
10213 3533 TIP3 OH2 32.5785090275 23.0628469300 44.2869425674 SOLV 3332 0.0000000000
|
|
10214 3533 TIP3 H1 32.9309957254 22.8533099448 45.1824480358 SOLV 3332 0.0000000000
|
|
10215 3533 TIP3 H2 33.1410676205 23.7961708795 43.9978493087 SOLV 3332 0.0000000000
|
|
10216 3534 TIP3 OH2 20.7793460589 25.1868190866 46.6913243814 SOLV 3333 0.0000000000
|
|
10217 3534 TIP3 H1 21.5318571200 24.8689748573 47.2229560479 SOLV 3333 0.0000000000
|
|
10218 3534 TIP3 H2 21.1617802884 24.9891817810 45.7960871207 SOLV 3333 0.0000000000
|
|
10219 3535 TIP3 OH2 26.1284444978 27.0080330757 46.1979226982 SOLV 3334 0.0000000000
|
|
10220 3535 TIP3 H1 26.9621797284 26.5936777996 46.5102083520 SOLV 3334 0.0000000000
|
|
10221 3535 TIP3 H2 25.7047152168 26.2344819672 45.7854522085 SOLV 3334 0.0000000000
|
|
10222 3536 TIP3 OH2 30.4610113640 31.6296570864 43.4852015527 SOLV 3335 0.0000000000
|
|
10223 3536 TIP3 H1 31.4136955396 31.7687157543 43.6704786000 SOLV 3335 0.0000000000
|
|
10224 3536 TIP3 H2 30.1692916284 32.5639139276 43.6055905009 SOLV 3335 0.0000000000
|
|
10225 3537 TIP3 OH2 33.6698800907 22.7493640242 46.6552259732 SOLV 3336 0.0000000000
|
|
10226 3537 TIP3 H1 33.0696625504 22.3777761637 47.3280720609 SOLV 3336 0.0000000000
|
|
10227 3537 TIP3 H2 34.2366337370 23.3226216260 47.1969975403 SOLV 3336 0.0000000000
|
|
10228 3538 TIP3 OH2 22.9272701692 23.7901434539 47.7969897995 SOLV 3337 0.0000000000
|
|
10229 3538 TIP3 H1 23.3299926375 24.1456151077 48.6137794118 SOLV 3337 0.0000000000
|
|
10230 3538 TIP3 H2 23.6568052581 23.2670196187 47.4131985239 SOLV 3337 0.0000000000
|
|
10231 3539 TIP3 OH2 20.2457914235 31.3047150573 41.9619164683 SOLV 3338 0.0000000000
|
|
10232 3539 TIP3 H1 20.0761352498 31.8323533030 41.1553317507 SOLV 3338 0.0000000000
|
|
10233 3539 TIP3 H2 20.4499633080 32.0347879194 42.5929568251 SOLV 3338 0.0000000000
|
|
10234 3540 TIP3 OH2 33.7037495394 33.1610443666 47.8675717618 SOLV 3339 0.0000000000
|
|
10235 3540 TIP3 H1 32.8106229907 33.3247859027 48.2058701265 SOLV 3339 0.0000000000
|
|
10236 3540 TIP3 H2 34.1187866810 34.0220337997 48.0411424482 SOLV 3339 0.0000000000
|
|
10237 3541 TIP3 OH2 27.0135540256 18.7738324168 47.9772092782 SOLV 3340 0.0000000000
|
|
10238 3541 TIP3 H1 26.5896530405 17.9732251019 47.6191832056 SOLV 3340 0.0000000000
|
|
10239 3541 TIP3 H2 26.2094284512 19.3259929211 48.1252882320 SOLV 3340 0.0000000000
|
|
10240 3542 TIP3 OH2 32.0571400004 34.5126582242 44.8168516122 SOLV 3341 0.0000000000
|
|
10241 3542 TIP3 H1 32.6164117091 33.7468585119 44.6008080231 SOLV 3341 0.0000000000
|
|
10242 3542 TIP3 H2 32.7300923266 35.2308742984 44.8833994619 SOLV 3341 0.0000000000
|
|
10243 3543 TIP3 OH2 33.1686990406 32.1930698225 43.8729572419 SOLV 3342 0.0000000000
|
|
10244 3543 TIP3 H1 33.5140177901 31.6133294592 43.1591856083 SOLV 3342 0.0000000000
|
|
10245 3543 TIP3 H2 33.3492406551 31.6614570127 44.6708014978 SOLV 3342 0.0000000000
|
|
10246 3544 TIP3 OH2 29.1145884293 28.6728901428 42.0115256390 SOLV 3343 0.0000000000
|
|
10247 3544 TIP3 H1 28.5356628825 28.1450603212 41.4465967968 SOLV 3343 0.0000000000
|
|
10248 3544 TIP3 H2 30.0120615229 28.4376788149 41.6948656706 SOLV 3343 0.0000000000
|
|
10249 3545 TIP3 OH2 29.6950235488 26.9581849041 38.9734190905 SOLV 3344 0.0000000000
|
|
10250 3545 TIP3 H1 30.3532301846 27.1910817013 39.6613662902 SOLV 3344 0.0000000000
|
|
10251 3545 TIP3 H2 30.2267647832 26.2854219984 38.4929384668 SOLV 3344 0.0000000000
|
|
10252 3546 TIP3 OH2 33.3247829087 28.4939040714 43.0208574858 SOLV 3345 0.0000000000
|
|
10253 3546 TIP3 H1 32.6006245078 28.5468128950 43.6771518279 SOLV 3345 0.0000000000
|
|
10254 3546 TIP3 H2 33.9776938103 27.9373619541 43.5051422711 SOLV 3345 0.0000000000
|
|
10255 3547 TIP3 OH2 24.5323648443 28.7650078231 44.8585723654 SOLV 3346 0.0000000000
|
|
10256 3547 TIP3 H1 24.3577702591 28.2666336057 44.0331056874 SOLV 3346 0.0000000000
|
|
10257 3547 TIP3 H2 25.1540665390 28.1663808282 45.3387590089 SOLV 3346 0.0000000000
|
|
10258 3548 TIP3 OH2 25.9662136033 32.5374097978 47.2945301006 SOLV 3347 0.0000000000
|
|
10259 3548 TIP3 H1 26.0021884430 32.5167324883 46.3164396807 SOLV 3347 0.0000000000
|
|
10260 3548 TIP3 H2 26.4258011691 31.7406007420 47.5778963099 SOLV 3347 0.0000000000
|
|
10261 3549 TIP3 OH2 25.2456189609 27.5820266864 48.6810691639 SOLV 3348 0.0000000000
|
|
10262 3549 TIP3 H1 25.5448507011 27.4393784639 47.7605083271 SOLV 3348 0.0000000000
|
|
10263 3549 TIP3 H2 25.8630373877 28.2373761030 49.0451557380 SOLV 3348 0.0000000000
|
|
10264 3550 TIP3 OH2 31.2835966391 33.7254593634 49.5728567773 SOLV 3349 0.0000000000
|
|
10265 3550 TIP3 H1 32.0376879833 33.8927622647 50.1738996197 SOLV 3349 0.0000000000
|
|
10266 3550 TIP3 H2 30.9868351659 32.8267770074 49.8497964893 SOLV 3349 0.0000000000
|
|
10267 3551 TIP3 OH2 31.6925642669 27.8235486919 40.9025163598 SOLV 3350 0.0000000000
|
|
10268 3551 TIP3 H1 32.3383439002 28.0450309536 41.6244336683 SOLV 3350 0.0000000000
|
|
10269 3551 TIP3 H2 32.2504649588 28.0839958030 40.1272857387 SOLV 3350 0.0000000000
|
|
10270 3552 TIP3 OH2 29.6109797958 34.2148224948 43.7310810939 SOLV 3351 0.0000000000
|
|
10271 3552 TIP3 H1 30.3588937161 34.4257255673 44.3398802716 SOLV 3351 0.0000000000
|
|
10272 3552 TIP3 H2 29.3229133722 35.1141719105 43.4876207498 SOLV 3351 0.0000000000
|
|
10273 3553 TIP3 OH2 35.6751312351 19.0170529128 40.9646900507 SOLV 3352 0.0000000000
|
|
10274 3553 TIP3 H1 34.7477898694 19.2175556358 41.2062196190 SOLV 3352 0.0000000000
|
|
10275 3553 TIP3 H2 35.9536571974 19.8652836652 40.5405615967 SOLV 3352 0.0000000000
|
|
10276 3554 TIP3 OH2 23.8229123454 27.8382122108 42.3617482059 SOLV 3353 0.0000000000
|
|
10277 3554 TIP3 H1 23.3197339802 28.6477258159 42.1064593979 SOLV 3353 0.0000000000
|
|
10278 3554 TIP3 H2 23.2256456079 27.1380874885 42.0812452537 SOLV 3353 0.0000000000
|
|
10279 3555 TIP3 OH2 36.7851001527 33.5199158193 39.1570971658 SOLV 3354 0.0000000000
|
|
10280 3555 TIP3 H1 37.0876834942 34.4474759042 39.1813490313 SOLV 3354 0.0000000000
|
|
10281 3555 TIP3 H2 37.6624322633 33.0925309763 39.2302378988 SOLV 3354 0.0000000000
|
|
10282 3556 TIP3 OH2 19.7981093159 33.4418346619 48.0545891698 SOLV 3355 0.0000000000
|
|
10283 3556 TIP3 H1 20.6844658067 33.5026806582 48.4211009618 SOLV 3355 0.0000000000
|
|
10284 3556 TIP3 H2 19.3122167857 34.1255837243 48.5620271842 SOLV 3355 0.0000000000
|
|
10285 3557 TIP3 OH2 29.4880912750 36.8139420801 42.7796144058 SOLV 3356 0.0000000000
|
|
10286 3557 TIP3 H1 29.4082913434 36.7283806219 41.8004912957 SOLV 3356 0.0000000000
|
|
10287 3557 TIP3 H2 29.1483420028 37.7118989204 42.9375047075 SOLV 3356 0.0000000000
|
|
10288 3558 TIP3 OH2 22.8462192141 35.7849195748 44.6916476528 SOLV 3357 0.0000000000
|
|
10289 3558 TIP3 H1 22.9471917692 35.3376468749 45.5592588805 SOLV 3357 0.0000000000
|
|
10290 3558 TIP3 H2 22.0628084524 35.3452359186 44.3275288603 SOLV 3357 0.0000000000
|
|
10291 3559 TIP3 OH2 32.2328790509 36.3057759765 39.5055501850 SOLV 3358 0.0000000000
|
|
10292 3559 TIP3 H1 32.7089849806 35.5143360174 39.1653601714 SOLV 3358 0.0000000000
|
|
10293 3559 TIP3 H2 32.3284400437 36.2272775969 40.4838702105 SOLV 3358 0.0000000000
|
|
10294 3560 TIP3 OH2 32.0805665150 36.3573335550 42.2528126824 SOLV 3359 0.0000000000
|
|
10295 3560 TIP3 H1 31.1455939148 36.5469533032 42.4777305293 SOLV 3359 0.0000000000
|
|
10296 3560 TIP3 H2 32.2959235515 35.7002514389 42.9319534504 SOLV 3359 0.0000000000
|
|
10297 3561 TIP3 OH2 24.9252067467 20.3590440974 48.5683849923 SOLV 3360 0.0000000000
|
|
10298 3561 TIP3 H1 24.0575530234 20.5186605201 48.1485056468 SOLV 3360 0.0000000000
|
|
10299 3561 TIP3 H2 25.0770055722 21.2123018501 49.0087800850 SOLV 3360 0.0000000000
|
|
10300 3562 TIP3 OH2 33.4810567797 28.5134263330 39.0296550269 SOLV 3361 0.0000000000
|
|
10301 3562 TIP3 H1 33.2086621188 28.5480087717 38.0839377048 SOLV 3361 0.0000000000
|
|
10302 3562 TIP3 H2 34.4357902702 28.3437226278 38.9006416325 SOLV 3361 0.0000000000
|
|
10303 3563 TIP3 OH2 28.8989579031 22.0623103193 39.3566501038 SOLV 3362 0.0000000000
|
|
10304 3563 TIP3 H1 28.3077236792 22.0022169631 40.1351201986 SOLV 3362 0.0000000000
|
|
10305 3563 TIP3 H2 28.3712090767 21.5316449304 38.7397902048 SOLV 3362 0.0000000000
|
|
10306 3564 TIP3 OH2 24.1880223668 25.3388505370 49.7977531096 SOLV 3363 0.0000000000
|
|
10307 3564 TIP3 H1 23.2625445713 25.6464339457 49.9574526517 SOLV 3363 0.0000000000
|
|
10308 3564 TIP3 H2 24.5787324753 26.1070697378 49.3089394871 SOLV 3363 0.0000000000
|
|
10309 3565 TIP3 OH2 24.7028563589 25.0043011364 44.7432433143 SOLV 3364 0.0000000000
|
|
10310 3565 TIP3 H1 23.7223428832 24.9467073624 44.6851820736 SOLV 3364 0.0000000000
|
|
10311 3565 TIP3 H2 24.9615125627 24.9615371008 43.8011575570 SOLV 3364 0.0000000000
|
|
10312 3566 TIP3 OH2 30.5004170184 25.6300717584 43.5503138633 SOLV 3365 0.0000000000
|
|
10313 3566 TIP3 H1 30.6989569537 26.5857348853 43.5720915542 SOLV 3365 0.0000000000
|
|
10314 3566 TIP3 H2 30.8428338267 25.3467279351 42.6827005320 SOLV 3365 0.0000000000
|
|
10315 3567 TIP3 OH2 31.0911064428 25.1244811869 46.2901936728 SOLV 3366 0.0000000000
|
|
10316 3567 TIP3 H1 30.7523919837 25.5342569228 45.4647753652 SOLV 3366 0.0000000000
|
|
10317 3567 TIP3 H2 31.3729999578 24.2802533201 45.9231444075 SOLV 3366 0.0000000000
|
|
10318 3568 TIP3 OH2 25.6747052032 22.6234423127 38.1652329581 SOLV 3367 0.0000000000
|
|
10319 3568 TIP3 H1 25.2943233121 22.4010746914 39.0411505401 SOLV 3367 0.0000000000
|
|
10320 3568 TIP3 H2 25.1709251018 23.4294512367 37.9317167354 SOLV 3367 0.0000000000
|
|
10321 3569 TIP3 OH2 19.0906997651 22.3281726283 45.3808988679 SOLV 3368 0.0000000000
|
|
10322 3569 TIP3 H1 19.7887819008 22.4557501965 46.0521505920 SOLV 3368 0.0000000000
|
|
10323 3569 TIP3 H2 19.5822751461 22.4069197394 44.5522111257 SOLV 3368 0.0000000000
|
|
10324 3570 TIP3 OH2 19.3898655333 23.1629948934 40.6504415949 SOLV 3369 0.0000000000
|
|
10325 3570 TIP3 H1 20.1129574105 23.5452715645 40.0901996752 SOLV 3369 0.0000000000
|
|
10326 3570 TIP3 H2 18.8028136432 23.9488395830 40.6791343914 SOLV 3369 0.0000000000
|
|
10327 3571 TIP3 OH2 27.7739892201 23.0812425998 45.5785568093 SOLV 3370 0.0000000000
|
|
10328 3571 TIP3 H1 26.9003743142 22.9090651924 45.9534649670 SOLV 3370 0.0000000000
|
|
10329 3571 TIP3 H2 28.2762799552 22.3583629232 46.0204789701 SOLV 3370 0.0000000000
|
|
10330 3572 TIP3 OH2 22.0303503955 24.5504190582 44.4134573966 SOLV 3371 0.0000000000
|
|
10331 3572 TIP3 H1 21.3582790473 24.8191894782 43.7506447133 SOLV 3371 0.0000000000
|
|
10332 3572 TIP3 H2 22.3220375862 23.6818489188 44.0617924145 SOLV 3371 0.0000000000
|
|
10333 3573 TIP3 OH2 25.1995177264 24.2168730285 42.0523535919 SOLV 3372 0.0000000000
|
|
10334 3573 TIP3 H1 26.1657090575 24.2644531648 42.1974520368 SOLV 3372 0.0000000000
|
|
10335 3573 TIP3 H2 25.0718092090 24.8812755675 41.3378084530 SOLV 3372 0.0000000000
|
|
10336 3574 TIP3 OH2 31.6754448191 22.4687093558 48.5984771591 SOLV 3373 0.0000000000
|
|
10337 3574 TIP3 H1 31.5219373861 22.0847639614 49.4696247181 SOLV 3373 0.0000000000
|
|
10338 3574 TIP3 H2 31.0073142120 22.0099355494 48.0623127532 SOLV 3373 0.0000000000
|
|
10339 3575 TIP3 OH2 24.7380338292 25.5816227319 39.6990392714 SOLV 3374 0.0000000000
|
|
10340 3575 TIP3 H1 24.3811638017 25.1914826674 38.8750838585 SOLV 3374 0.0000000000
|
|
10341 3575 TIP3 H2 25.5322105508 26.0295123845 39.3239155818 SOLV 3374 0.0000000000
|
|
10342 3576 TIP3 OH2 28.3238403070 25.8362887470 47.4862799224 SOLV 3375 0.0000000000
|
|
10343 3576 TIP3 H1 29.0094542991 25.2749679139 47.0974277341 SOLV 3375 0.0000000000
|
|
10344 3576 TIP3 H2 28.0314951102 25.2990503303 48.2426053377 SOLV 3375 0.0000000000
|
|
10345 3577 TIP3 OH2 22.9997137477 21.8845097340 44.0942126062 SOLV 3376 0.0000000000
|
|
10346 3577 TIP3 H1 22.5168396222 21.0834707191 44.4157947319 SOLV 3376 0.0000000000
|
|
10347 3577 TIP3 H2 23.4418593044 21.5204915721 43.3206801357 SOLV 3376 0.0000000000
|
|
10348 3578 TIP3 OH2 27.4637030348 24.4372115228 49.7619428070 SOLV 3377 0.0000000000
|
|
10349 3578 TIP3 H1 26.7637910011 23.7621447207 49.7172978629 SOLV 3377 0.0000000000
|
|
10350 3578 TIP3 H2 28.1204772043 23.9558722693 50.3019010367 SOLV 3377 0.0000000000
|
|
10351 3579 TIP3 OH2 31.2720358564 22.7843908182 40.3061303641 SOLV 3378 0.0000000000
|
|
10352 3579 TIP3 H1 30.3688279053 22.6529738346 39.9577425217 SOLV 3378 0.0000000000
|
|
10353 3579 TIP3 H2 31.4267738315 23.7494942330 40.2469846735 SOLV 3378 0.0000000000
|
|
10354 3580 TIP3 OH2 32.1719911451 25.1240208249 41.3438684467 SOLV 3379 0.0000000000
|
|
10355 3580 TIP3 H1 33.0497002394 24.9504669187 41.7571153079 SOLV 3379 0.0000000000
|
|
10356 3580 TIP3 H2 32.2648702791 26.0211163403 40.9937060966 SOLV 3379 0.0000000000
|
|
10357 3581 TIP3 OH2 23.0724293992 29.8645201519 47.1026822973 SOLV 3380 0.0000000000
|
|
10358 3581 TIP3 H1 23.4331588324 29.4828004387 46.2759496244 SOLV 3380 0.0000000000
|
|
10359 3581 TIP3 H2 23.0708285046 29.1102166003 47.7103857257 SOLV 3380 0.0000000000
|
|
10360 3582 TIP3 OH2 36.7579340716 25.4436245328 41.0384110685 SOLV 3381 0.0000000000
|
|
10361 3582 TIP3 H1 36.1415170775 25.2870044327 40.2773105751 SOLV 3381 0.0000000000
|
|
10362 3582 TIP3 H2 36.9884233356 26.3753983058 40.8194932570 SOLV 3381 0.0000000000
|
|
10363 3583 TIP3 OH2 35.6616623633 33.8606727693 41.6976192186 SOLV 3382 0.0000000000
|
|
10364 3583 TIP3 H1 34.8939520824 33.2695280738 41.6743644148 SOLV 3382 0.0000000000
|
|
10365 3583 TIP3 H2 36.0093463656 33.8133007073 40.7885130065 SOLV 3382 0.0000000000
|
|
10366 3584 TIP3 OH2 32.5713025008 28.6136849145 48.2172619682 SOLV 3383 0.0000000000
|
|
10367 3584 TIP3 H1 31.6153858105 28.6386025716 47.9958395186 SOLV 3383 0.0000000000
|
|
10368 3584 TIP3 H2 32.8627790460 27.7958328283 47.7431392105 SOLV 3383 0.0000000000
|
|
10369 3585 TIP3 OH2 25.0656327192 33.2145475593 44.7236109692 SOLV 3384 0.0000000000
|
|
10370 3585 TIP3 H1 25.3297082676 34.1068432584 44.4127215680 SOLV 3384 0.0000000000
|
|
10371 3585 TIP3 H2 24.1040022756 33.2642518567 44.6252215784 SOLV 3384 0.0000000000
|
|
10372 3586 TIP3 OH2 21.2144377308 27.8795202952 39.4604956812 SOLV 3385 0.0000000000
|
|
10373 3586 TIP3 H1 21.6433329086 28.3437414607 40.1994343460 SOLV 3385 0.0000000000
|
|
10374 3586 TIP3 H2 20.2620781621 27.9758584957 39.6726482106 SOLV 3385 0.0000000000
|
|
10375 3587 TIP3 OH2 26.4888728169 30.8756400296 44.1730659804 SOLV 3386 0.0000000000
|
|
10376 3587 TIP3 H1 25.8730011927 31.6184321961 44.3630202536 SOLV 3386 0.0000000000
|
|
10377 3587 TIP3 H2 25.9944180331 30.1171232066 44.5244867943 SOLV 3386 0.0000000000
|
|
10378 3588 TIP3 OH2 25.4908209927 35.7552266956 43.7802882838 SOLV 3387 0.0000000000
|
|
10379 3588 TIP3 H1 24.5385430143 35.8410634982 44.0554717488 SOLV 3387 0.0000000000
|
|
10380 3588 TIP3 H2 25.8096269494 36.6103636784 44.1369538322 SOLV 3387 0.0000000000
|
|
10381 3589 TIP3 OH2 33.3563749881 32.0294062544 39.5208384004 SOLV 3388 0.0000000000
|
|
10382 3589 TIP3 H1 33.5945603443 31.5342358849 40.3367688760 SOLV 3388 0.0000000000
|
|
10383 3589 TIP3 H2 32.4278499484 31.7614251910 39.3765841771 SOLV 3388 0.0000000000
|
|
10384 3590 TIP3 OH2 37.4871480212 36.2342615946 39.6389905077 SOLV 3389 0.0000000000
|
|
10385 3590 TIP3 H1 37.8035478874 37.0213364780 39.1631583389 SOLV 3389 0.0000000000
|
|
10386 3590 TIP3 H2 36.7232609827 36.6491790008 40.1142719900 SOLV 3389 0.0000000000
|
|
10387 3591 TIP3 OH2 34.1117285676 30.7764926679 41.7176352406 SOLV 3390 0.0000000000
|
|
10388 3591 TIP3 H1 33.8016820806 29.8585418514 41.8823999117 SOLV 3390 0.0000000000
|
|
10389 3591 TIP3 H2 35.0696179984 30.6715156994 41.7687300906 SOLV 3390 0.0000000000
|
|
10390 3592 TIP3 OH2 27.8045794864 32.4529763321 38.2863457465 SOLV 3391 0.0000000000
|
|
10391 3592 TIP3 H1 27.5129292588 31.7644445303 37.6470948854 SOLV 3391 0.0000000000
|
|
10392 3592 TIP3 H2 27.1478150733 32.3079145892 39.0028295917 SOLV 3391 0.0000000000
|
|
10393 3593 TIP3 OH2 26.1738349168 32.4793022207 40.4526217442 SOLV 3392 0.0000000000
|
|
10394 3593 TIP3 H1 25.2380713691 32.2516725250 40.3692330569 SOLV 3392 0.0000000000
|
|
10395 3593 TIP3 H2 26.1240319594 33.4416673336 40.7085516274 SOLV 3392 0.0000000000
|
|
10396 3594 TIP3 OH2 22.3922699482 29.8213335366 41.0308344898 SOLV 3393 0.0000000000
|
|
10397 3594 TIP3 H1 21.6789277665 30.2731745485 41.5199239311 SOLV 3393 0.0000000000
|
|
10398 3594 TIP3 H2 22.6600679559 30.5251049523 40.4149941176 SOLV 3393 0.0000000000
|
|
10399 3595 TIP3 OH2 31.1623790818 21.5555699321 42.6861765123 SOLV 3394 0.0000000000
|
|
10400 3595 TIP3 H1 31.2790078292 21.9965157112 41.8081003182 SOLV 3394 0.0000000000
|
|
10401 3595 TIP3 H2 31.6567416885 22.1903740654 43.2574142438 SOLV 3394 0.0000000000
|
|
10402 3596 TIP3 OH2 27.8268072821 23.9873248048 42.9668102947 SOLV 3395 0.0000000000
|
|
10403 3596 TIP3 H1 28.4568361176 24.7169209171 43.0815375082 SOLV 3395 0.0000000000
|
|
10404 3596 TIP3 H2 27.7447367134 23.6964513242 43.9059626736 SOLV 3395 0.0000000000
|
|
10405 3597 TIP3 OH2 28.8199543803 20.5860315685 43.6648690877 SOLV 3396 0.0000000000
|
|
10406 3597 TIP3 H1 28.8170520170 21.0046167025 44.5499371043 SOLV 3396 0.0000000000
|
|
10407 3597 TIP3 H2 29.6701250478 20.9244135391 43.3085468143 SOLV 3396 0.0000000000
|
|
10408 3598 TIP3 OH2 25.9952154337 35.1139043298 40.9150188784 SOLV 3397 0.0000000000
|
|
10409 3598 TIP3 H1 26.0602121298 35.9750898275 40.4463816024 SOLV 3397 0.0000000000
|
|
10410 3598 TIP3 H2 25.7711494940 35.4604335052 41.8062521968 SOLV 3397 0.0000000000
|
|
10411 3599 TIP3 OH2 24.8790777017 21.9569562249 40.6320715296 SOLV 3398 0.0000000000
|
|
10412 3599 TIP3 H1 24.6527759781 22.7028747848 41.2357569403 SOLV 3398 0.0000000000
|
|
10413 3599 TIP3 H2 25.7762849536 21.7189869823 40.9644647721 SOLV 3398 0.0000000000
|
|
10414 3600 TIP3 OH2 33.4414472854 26.3909472568 46.9517187438 SOLV 3399 0.0000000000
|
|
10415 3600 TIP3 H1 32.6050888630 25.9054962609 46.8280875439 SOLV 3399 0.0000000000
|
|
10416 3600 TIP3 H2 33.9702956606 25.7692835990 47.5020891748 SOLV 3399 0.0000000000
|
|
10417 3601 TIP3 OH2 23.1170995489 32.3724605695 39.4244896148 SOLV 3400 0.0000000000
|
|
10418 3601 TIP3 H1 23.1421641833 33.1805177903 38.9015476374 SOLV 3400 0.0000000000
|
|
10419 3601 TIP3 H2 23.5684141371 31.7132860673 38.8550427322 SOLV 3400 0.0000000000
|
|
10420 3602 TIP3 OH2 20.8876561860 25.0836245082 39.0125914722 SOLV 3401 0.0000000000
|
|
10421 3602 TIP3 H1 21.3506005249 25.9335543862 39.0540737441 SOLV 3401 0.0000000000
|
|
10422 3602 TIP3 H2 20.4077168422 25.1223467353 38.1659581243 SOLV 3401 0.0000000000
|
|
10423 3603 TIP3 OH2 34.6950236244 35.8523685851 48.8144336778 SOLV 3402 0.0000000000
|
|
10424 3603 TIP3 H1 34.6552095585 36.5722322572 48.1458469428 SOLV 3402 0.0000000000
|
|
10425 3603 TIP3 H2 35.6672024530 35.7214007949 48.8537844966 SOLV 3402 0.0000000000
|
|
10426 3604 TIP3 OH2 22.4068796659 20.0527209514 47.6268499501 SOLV 3403 0.0000000000
|
|
10427 3604 TIP3 H1 22.3455453938 19.9490304992 46.6493627796 SOLV 3403 0.0000000000
|
|
10428 3604 TIP3 H2 22.1231803001 19.1497994547 47.9081929776 SOLV 3403 0.0000000000
|
|
10429 3605 TIP3 OH2 20.7850975802 33.6502624986 43.3028651414 SOLV 3404 0.0000000000
|
|
10430 3605 TIP3 H1 20.3773208018 34.0059709732 44.0995838955 SOLV 3404 0.0000000000
|
|
10431 3605 TIP3 H2 20.7280484100 34.4408527566 42.7158225836 SOLV 3404 0.0000000000
|
|
10432 3606 TIP3 OH2 29.0704294481 34.9749636651 37.8399926128 SOLV 3405 0.0000000000
|
|
10433 3606 TIP3 H1 28.6539566157 34.1439677479 38.1432927093 SOLV 3405 0.0000000000
|
|
10434 3606 TIP3 H2 29.8793158653 34.6125132157 37.4184029221 SOLV 3405 0.0000000000
|
|
10435 3607 TIP3 OH2 33.4820644714 34.2887071246 38.2258420260 SOLV 3406 0.0000000000
|
|
10436 3607 TIP3 H1 33.5625424060 33.4345033222 38.7184116370 SOLV 3406 0.0000000000
|
|
10437 3607 TIP3 H2 34.3471659779 34.3537493300 37.7847408979 SOLV 3406 0.0000000000
|
|
10438 3608 TIP3 OH2 24.6800394893 30.4026334087 38.2133298634 SOLV 3407 0.0000000000
|
|
10439 3608 TIP3 H1 25.0113546284 29.7720864461 38.8828883365 SOLV 3407 0.0000000000
|
|
10440 3608 TIP3 H2 25.4421710299 30.4309868903 37.5991931684 SOLV 3407 0.0000000000
|
|
10441 3609 TIP3 OH2 30.5887206895 31.4687781889 38.5032402294 SOLV 3408 0.0000000000
|
|
10442 3609 TIP3 H1 29.6593300229 31.7477272361 38.4941726250 SOLV 3408 0.0000000000
|
|
10443 3609 TIP3 H2 30.5040207365 30.5795546251 38.0727007526 SOLV 3408 0.0000000000
|
|
10444 3610 TIP3 OH2 25.6994021521 28.9013358189 40.2911439390 SOLV 3409 0.0000000000
|
|
10445 3610 TIP3 H1 25.0968503268 28.3722695547 40.8463794701 SOLV 3409 0.0000000000
|
|
10446 3610 TIP3 H2 26.1453670311 28.2215128252 39.7414720573 SOLV 3409 0.0000000000
|
|
10447 3611 TIP3 OH2 27.0120150630 26.9822191427 38.6670842957 SOLV 3410 0.0000000000
|
|
10448 3611 TIP3 H1 27.0677510895 27.3220366092 37.7408127016 SOLV 3410 0.0000000000
|
|
10449 3611 TIP3 H2 27.9584169589 26.8095237032 38.8381759447 SOLV 3410 0.0000000000
|
|
10450 3612 TIP3 OH2 36.1006480763 28.7684476331 38.1402810688 SOLV 3411 0.0000000000
|
|
10451 3612 TIP3 H1 36.3374308585 28.4469162891 37.2449306596 SOLV 3411 0.0000000000
|
|
10452 3612 TIP3 H2 35.9169135750 29.7332449831 37.9941864661 SOLV 3411 0.0000000000
|
|
10453 3613 TIP3 OH2 26.7270652536 37.6776193878 40.1786385460 SOLV 3412 0.0000000000
|
|
10454 3613 TIP3 H1 27.6017809599 37.2783184228 40.0353595856 SOLV 3412 0.0000000000
|
|
10455 3613 TIP3 H2 26.7891332738 38.4383015583 39.5776272351 SOLV 3412 0.0000000000
|
|
10456 3614 TIP3 OH2 20.3360056071 32.0703050560 39.2958194337 SOLV 3413 0.0000000000
|
|
10457 3614 TIP3 H1 21.3038597217 32.1856190566 39.3293131461 SOLV 3413 0.0000000000
|
|
10458 3614 TIP3 H2 20.2443225070 31.6693771618 38.4037613286 SOLV 3413 0.0000000000
|
|
10459 3615 TIP3 OH2 19.2720387147 37.4396623995 44.5522014491 SOLV 3414 0.0000000000
|
|
10460 3615 TIP3 H1 18.6769060164 37.0940293506 43.8632782546 SOLV 3414 0.0000000000
|
|
10461 3615 TIP3 H2 19.4986958669 36.6075777173 45.0075766977 SOLV 3414 0.0000000000
|
|
10462 3616 TIP3 OH2 20.1460634684 35.1911483887 45.9938249577 SOLV 3415 0.0000000000
|
|
10463 3616 TIP3 H1 19.7865457638 34.4592579928 46.5437607789 SOLV 3415 0.0000000000
|
|
10464 3616 TIP3 H2 20.5017387246 35.7573894737 46.7133676165 SOLV 3415 0.0000000000
|
|
10465 3617 TIP3 OH2 37.3694403316 36.0064518316 49.1639532075 SOLV 3416 0.0000000000
|
|
10466 3617 TIP3 H1 37.5966479019 36.2599007178 50.0783581680 SOLV 3416 0.0000000000
|
|
10467 3617 TIP3 H2 37.6819284004 36.7666401281 48.6496156202 SOLV 3416 0.0000000000
|
|
10468 3618 TIP3 OH2 36.7676525624 29.9838503041 41.9514651470 SOLV 3417 0.0000000000
|
|
10469 3618 TIP3 H1 37.5556735869 30.5661409860 42.0291128862 SOLV 3417 0.0000000000
|
|
10470 3618 TIP3 H2 36.8381740764 29.4281889560 42.7559673070 SOLV 3417 0.0000000000
|
|
10471 3619 TIP3 OH2 36.9365348997 27.9648166994 44.0276069260 SOLV 3418 0.0000000000
|
|
10472 3619 TIP3 H1 36.1353984748 27.5308102037 44.4001987198 SOLV 3418 0.0000000000
|
|
10473 3619 TIP3 H2 37.5408875440 27.9859019711 44.8023885629 SOLV 3418 0.0000000000
|
|
10474 3620 TIP3 OH2 37.9511605299 31.1132010257 49.5790169782 SOLV 3419 0.0000000000
|
|
10475 3620 TIP3 H1 38.1839464981 30.3391404978 49.0115445278 SOLV 3419 0.0000000000
|
|
10476 3620 TIP3 H2 37.4145133745 31.6607303801 48.9880447843 SOLV 3419 0.0000000000
|
|
10477 3621 TIP3 OH2 37.4826986120 27.9037958036 40.2640030429 SOLV 3420 0.0000000000
|
|
10478 3621 TIP3 H1 36.8589732843 28.0582362714 39.5047124051 SOLV 3420 0.0000000000
|
|
10479 3621 TIP3 H2 37.2746970147 28.6808117868 40.8286752371 SOLV 3420 0.0000000000
|
|
10480 3622 TIP3 OH2 35.5216660747 25.3168049222 38.7416459802 SOLV 3421 0.0000000000
|
|
10481 3622 TIP3 H1 35.8802317776 25.7410083772 37.9534727708 SOLV 3421 0.0000000000
|
|
10482 3622 TIP3 H2 35.4455393392 24.3830589156 38.4503426570 SOLV 3421 0.0000000000
|
|
10483 3623 TIP3 OH2 34.6625905157 26.6749435245 44.5845438831 SOLV 3422 0.0000000000
|
|
10484 3623 TIP3 H1 34.7362847371 25.7629034756 44.2492215011 SOLV 3422 0.0000000000
|
|
10485 3623 TIP3 H2 34.2933492087 26.5670400257 45.4866042133 SOLV 3422 0.0000000000
|
|
10486 3624 TIP3 OH2 19.5236680133 28.4041577999 48.6012694915 SOLV 3423 0.0000000000
|
|
10487 3624 TIP3 H1 19.6258529462 28.3181178517 47.6325828996 SOLV 3423 0.0000000000
|
|
10488 3624 TIP3 H2 20.4671348109 28.3567193357 48.8673203499 SOLV 3423 0.0000000000
|
|
10489 3625 TIP3 OH2 34.8507129377 22.8364458547 37.8091581919 SOLV 3424 0.0000000000
|
|
10490 3625 TIP3 H1 35.3332095905 22.2147110195 38.3729158072 SOLV 3424 0.0000000000
|
|
10491 3625 TIP3 H2 33.9541053412 22.4400260407 37.8003230845 SOLV 3424 0.0000000000
|
|
10492 3626 TIP3 OH2 34.6233720000 24.4189619401 42.6259218372 SOLV 3425 0.0000000000
|
|
10493 3626 TIP3 H1 34.8457362273 23.4736576930 42.7006898728 SOLV 3425 0.0000000000
|
|
10494 3626 TIP3 H2 35.4317823268 24.7650365310 42.2045512445 SOLV 3425 0.0000000000
|
|
10495 3627 TIP3 OH2 34.8755858584 24.6114973459 48.3332030630 SOLV 3426 0.0000000000
|
|
10496 3627 TIP3 H1 35.8254956825 24.8564280295 48.3593898901 SOLV 3426 0.0000000000
|
|
10497 3627 TIP3 H2 34.8466594958 23.8356882729 48.9419433116 SOLV 3426 0.0000000000
|
|
10498 3628 TIP3 OH2 35.3518935407 21.5935853922 42.9102508990 SOLV 3427 0.0000000000
|
|
10499 3628 TIP3 H1 35.4938871591 21.3107649490 43.8309630574 SOLV 3427 0.0000000000
|
|
10500 3628 TIP3 H2 34.7060664070 20.9182463283 42.6116189562 SOLV 3427 0.0000000000
|
|
10501 3629 TIP3 OH2 20.7814706510 22.1218837042 47.4173675850 SOLV 3428 0.0000000000
|
|
10502 3629 TIP3 H1 21.3701245714 21.3386214981 47.5200739415 SOLV 3428 0.0000000000
|
|
10503 3629 TIP3 H2 21.4195299435 22.8559624454 47.5114679387 SOLV 3428 0.0000000000
|
|
10504 3630 TIP3 OH2 18.8296757780 25.3800850158 48.5112822455 SOLV 3429 0.0000000000
|
|
10505 3630 TIP3 H1 19.4313888611 25.2063132270 47.7555612360 SOLV 3429 0.0000000000
|
|
10506 3630 TIP3 H2 18.8770608545 26.3487204047 48.5655050233 SOLV 3429 0.0000000000
|
|
10507 3631 TIP3 OH2 36.6156038596 21.1375911022 39.6365857303 SOLV 3430 0.0000000000
|
|
10508 3631 TIP3 H1 37.1026019843 20.8100185023 38.8501780429 SOLV 3430 0.0000000000
|
|
10509 3631 TIP3 H2 37.2850718766 21.7409138529 40.0215156052 SOLV 3430 0.0000000000
|
|
10510 3632 TIP3 OH2 19.3225436555 21.1838159097 42.4581184430 SOLV 3431 0.0000000000
|
|
10511 3632 TIP3 H1 18.3641810451 21.2014726587 42.5776210253 SOLV 3431 0.0000000000
|
|
10512 3632 TIP3 H2 19.4452818424 21.9716378651 41.8951765081 SOLV 3431 0.0000000000
|
|
10513 3633 TIP3 OH2 34.0943411313 36.2675952452 44.6792824527 SOLV 3432 0.0000000000
|
|
10514 3633 TIP3 H1 34.9044470378 36.3916231134 44.1656177600 SOLV 3432 0.0000000000
|
|
10515 3633 TIP3 H2 34.2715572235 36.8504726220 45.4413661543 SOLV 3432 0.0000000000
|
|
10516 3634 TIP3 OH2 29.4230949392 37.9083841356 48.9267649382 SOLV 3433 0.0000000000
|
|
10517 3634 TIP3 H1 28.4650851259 37.9165276779 48.6812114317 SOLV 3433 0.0000000000
|
|
10518 3634 TIP3 H2 29.4280755791 37.4354401167 49.7691615545 SOLV 3433 0.0000000000
|
|
10519 3635 TIP3 OH2 21.4473752418 36.4050560469 48.1709950960 SOLV 3434 0.0000000000
|
|
10520 3635 TIP3 H1 21.6262052292 36.3400309313 49.1389621159 SOLV 3434 0.0000000000
|
|
10521 3635 TIP3 H2 22.2272069033 35.8953133768 47.8094151616 SOLV 3434 0.0000000000
|
|
10522 3636 TIP3 OH2 23.3983568986 34.7846843200 47.2314722662 SOLV 3435 0.0000000000
|
|
10523 3636 TIP3 H1 23.3223003044 33.8685279149 47.5962963890 SOLV 3435 0.0000000000
|
|
10524 3636 TIP3 H2 24.3148755615 34.9767361304 47.5409336998 SOLV 3435 0.0000000000
|
|
10525 3637 TIP3 OH2 25.8883867369 35.1419337550 48.1401457971 SOLV 3436 0.0000000000
|
|
10526 3637 TIP3 H1 26.0731121538 34.2479583279 47.7822354465 SOLV 3436 0.0000000000
|
|
10527 3637 TIP3 H2 26.2256416331 35.0223222567 49.0375204577 SOLV 3436 0.0000000000
|
|
10528 3638 TIP3 OH2 29.2281096213 20.8293898215 46.4904288694 SOLV 3437 0.0000000000
|
|
10529 3638 TIP3 H1 29.0746662351 20.5275151806 47.3970686376 SOLV 3437 0.0000000000
|
|
10530 3638 TIP3 H2 30.1362576026 20.5002782965 46.3521312685 SOLV 3437 0.0000000000
|
|
10531 3639 TIP3 OH2 34.5527186042 18.8805897053 46.8474577980 SOLV 3438 0.0000000000
|
|
10532 3639 TIP3 H1 35.1490430187 19.5588803850 46.4178191276 SOLV 3438 0.0000000000
|
|
10533 3639 TIP3 H2 33.8033988804 19.4090307711 47.1260229632 SOLV 3438 0.0000000000
|
|
10534 3640 TIP3 OH2 36.2113840115 20.3136390201 45.3222396333 SOLV 3439 0.0000000000
|
|
10535 3640 TIP3 H1 36.8707948121 19.7099536866 44.8993463517 SOLV 3439 0.0000000000
|
|
10536 3640 TIP3 H2 36.8074844787 21.0758928840 45.5253909035 SOLV 3439 0.0000000000
|
|
10537 3641 TIP3 OH2 21.9241131231 19.5550602770 44.9488066093 SOLV 3440 0.0000000000
|
|
10538 3641 TIP3 H1 20.9780137180 19.4482960830 44.7140225077 SOLV 3440 0.0000000000
|
|
10539 3641 TIP3 H2 22.2454595931 18.6379212540 44.7971368074 SOLV 3440 0.0000000000
|
|
10540 3642 TIP3 OH2 20.7986804203 19.6357191933 40.6588923484 SOLV 3441 0.0000000000
|
|
10541 3642 TIP3 H1 21.3623672040 20.3350260504 40.2861671977 SOLV 3441 0.0000000000
|
|
10542 3642 TIP3 H2 20.3635545750 20.1110176000 41.4046180354 SOLV 3441 0.0000000000
|
|
10543 3643 TIP3 OH2 26.4414707464 19.0752149334 44.8911735039 SOLV 3442 0.0000000000
|
|
10544 3643 TIP3 H1 27.0743784125 19.4834316042 44.2918130724 SOLV 3442 0.0000000000
|
|
10545 3643 TIP3 H2 26.8816813098 19.1947298764 45.7504253424 SOLV 3442 0.0000000000
|
|
10546 3644 TIP3 OH2 31.8142922292 19.8176627909 46.3614755823 SOLV 3443 0.0000000000
|
|
10547 3644 TIP3 H1 32.0012770245 19.8177938037 45.4130130575 SOLV 3443 0.0000000000
|
|
10548 3644 TIP3 H2 31.5026800082 18.8896611953 46.5148373868 SOLV 3443 0.0000000000
|
|
10549 3645 TIP3 OH2 33.3440658182 19.8522591549 42.2678120608 SOLV 3444 0.0000000000
|
|
10550 3645 TIP3 H1 32.5745841103 20.4594852123 42.3378348074 SOLV 3444 0.0000000000
|
|
10551 3645 TIP3 H2 32.9348604951 18.9811016033 42.4703903340 SOLV 3444 0.0000000000
|
|
10552 3646 TIP3 OH2 20.5607219095 35.8101645895 41.7088780099 SOLV 3445 0.0000000000
|
|
10553 3646 TIP3 H1 19.8737120957 35.7862130360 41.0220290689 SOLV 3445 0.0000000000
|
|
10554 3646 TIP3 H2 20.8791195866 36.7284075669 41.5195476476 SOLV 3445 0.0000000000
|
|
10555 3647 TIP3 OH2 22.6573989903 21.3835668640 39.3253542065 SOLV 3446 0.0000000000
|
|
10556 3647 TIP3 H1 22.8820840575 20.6601429497 38.7112237214 SOLV 3446 0.0000000000
|
|
10557 3647 TIP3 H2 23.5427640104 21.5511864028 39.7152724167 SOLV 3446 0.0000000000
|
|
10558 3648 TIP3 OH2 27.3848949316 21.7592809627 41.5802283736 SOLV 3447 0.0000000000
|
|
10559 3648 TIP3 H1 27.8198803129 21.3005367700 42.3328361787 SOLV 3447 0.0000000000
|
|
10560 3648 TIP3 H2 27.5259581314 22.6715321439 41.8996631261 SOLV 3447 0.0000000000
|
|
10561 3649 TIP3 OH2 29.5706968764 36.6436362586 40.0866109180 SOLV 3448 0.0000000000
|
|
10562 3649 TIP3 H1 30.5118540204 36.7114428277 39.8294453792 SOLV 3448 0.0000000000
|
|
10563 3649 TIP3 H2 29.2527195689 36.1645852964 39.3035278262 SOLV 3448 0.0000000000
|
|
10564 3650 TIP3 OH2 36.2808936870 36.1884010414 43.0334669333 SOLV 3449 0.0000000000
|
|
10565 3650 TIP3 H1 36.1047712602 35.3507608919 42.5387800448 SOLV 3449 0.0000000000
|
|
10566 3650 TIP3 H2 36.1044924575 36.8519311825 42.3297668852 SOLV 3449 0.0000000000
|
|
10567 3651 TIP3 OH2 50.0283031453 28.6473690794 44.3628570911 SOLV 3450 0.0000000000
|
|
10568 3651 TIP3 H1 49.7579432164 29.5795117667 44.4751927049 SOLV 3450 0.0000000000
|
|
10569 3651 TIP3 H2 49.3222593501 28.2829178206 43.8173087551 SOLV 3450 0.0000000000
|
|
10570 3652 TIP3 OH2 48.2341077665 28.1313002063 48.3667519145 SOLV 3451 0.0000000000
|
|
10571 3652 TIP3 H1 49.2028152374 27.9957773640 48.4309840732 SOLV 3451 0.0000000000
|
|
10572 3652 TIP3 H2 47.9075884567 27.2571375617 48.0978507291 SOLV 3451 0.0000000000
|
|
10573 3653 TIP3 OH2 41.2082034450 28.1134503822 49.2212444673 SOLV 3452 0.0000000000
|
|
10574 3653 TIP3 H1 40.8632651319 28.1677648850 50.1377161875 SOLV 3452 0.0000000000
|
|
10575 3653 TIP3 H2 42.1667872874 28.1011809525 49.3785326199 SOLV 3452 0.0000000000
|
|
10576 3654 TIP3 OH2 42.1680710253 32.3439491332 47.9988307408 SOLV 3453 0.0000000000
|
|
10577 3654 TIP3 H1 41.8992389926 31.5125428182 47.5451436219 SOLV 3453 0.0000000000
|
|
10578 3654 TIP3 H2 42.3262987702 31.9829623423 48.8747332606 SOLV 3453 0.0000000000
|
|
10579 3655 TIP3 OH2 38.5319255085 25.6141734404 43.1488046932 SOLV 3454 0.0000000000
|
|
10580 3655 TIP3 H1 38.1840649926 26.4626058311 43.4586275238 SOLV 3454 0.0000000000
|
|
10581 3655 TIP3 H2 38.1070602196 25.5854119577 42.2813474037 SOLV 3454 0.0000000000
|
|
10582 3656 TIP3 OH2 39.1472938865 27.8802800374 45.8908165860 SOLV 3455 0.0000000000
|
|
10583 3656 TIP3 H1 39.3838154467 26.9705038978 46.1860820795 SOLV 3455 0.0000000000
|
|
10584 3656 TIP3 H2 40.0048814015 28.2562828546 45.6424654817 SOLV 3455 0.0000000000
|
|
10585 3657 TIP3 OH2 48.4667774185 35.9802512449 46.7011992695 SOLV 3456 0.0000000000
|
|
10586 3657 TIP3 H1 49.4021050067 35.6823370792 46.7509929313 SOLV 3456 0.0000000000
|
|
10587 3657 TIP3 H2 48.4145338136 36.5700503132 47.4834500389 SOLV 3456 0.0000000000
|
|
10588 3658 TIP3 OH2 46.4381382301 30.2021365911 48.9204241086 SOLV 3457 0.0000000000
|
|
10589 3658 TIP3 H1 46.8555655445 29.4275267354 48.4982514701 SOLV 3457 0.0000000000
|
|
10590 3658 TIP3 H2 47.2600397045 30.6418400760 49.2102174146 SOLV 3457 0.0000000000
|
|
10591 3659 TIP3 OH2 43.7451506569 22.6882432780 46.0601661731 SOLV 3458 0.0000000000
|
|
10592 3659 TIP3 H1 43.8499438486 23.5276717565 45.5497647932 SOLV 3458 0.0000000000
|
|
10593 3659 TIP3 H2 43.1196207180 22.2227809092 45.4711167386 SOLV 3458 0.0000000000
|
|
10594 3660 TIP3 OH2 39.5254400447 25.2940439024 46.7021753953 SOLV 3459 0.0000000000
|
|
10595 3660 TIP3 H1 40.3170887622 25.0051918124 47.1762804535 SOLV 3459 0.0000000000
|
|
10596 3660 TIP3 H2 39.8052672185 24.9760709285 45.8105597159 SOLV 3459 0.0000000000
|
|
10597 3661 TIP3 OH2 44.8543189712 26.9370643932 46.2200380304 SOLV 3460 0.0000000000
|
|
10598 3661 TIP3 H1 45.6416711794 26.4929878328 46.6031851807 SOLV 3460 0.0000000000
|
|
10599 3661 TIP3 H2 44.3732205317 26.1724565833 45.8438777448 SOLV 3460 0.0000000000
|
|
10600 3662 TIP3 OH2 48.8826371291 31.4813140623 44.1264307241 SOLV 3461 0.0000000000
|
|
10601 3662 TIP3 H1 49.0423897723 31.6464879298 43.1949524475 SOLV 3461 0.0000000000
|
|
10602 3662 TIP3 H2 48.7601784643 32.4059494833 44.4219333265 SOLV 3461 0.0000000000
|
|
10603 3663 TIP3 OH2 41.8303104925 23.7871404449 47.6993619843 SOLV 3462 0.0000000000
|
|
10604 3663 TIP3 H1 42.1334397441 24.1269358943 48.5561697947 SOLV 3462 0.0000000000
|
|
10605 3663 TIP3 H2 42.6379046672 23.3390358819 47.3639419602 SOLV 3462 0.0000000000
|
|
10606 3664 TIP3 OH2 39.0029804311 31.3982442662 41.7601070538 SOLV 3463 0.0000000000
|
|
10607 3664 TIP3 H1 39.0201894508 31.8432681034 40.8789640097 SOLV 3463 0.0000000000
|
|
10608 3664 TIP3 H2 39.2067463001 32.1440808865 42.3648609194 SOLV 3463 0.0000000000
|
|
10609 3665 TIP3 OH2 45.7913767711 18.9609650425 47.8848419371 SOLV 3464 0.0000000000
|
|
10610 3665 TIP3 H1 45.4043168667 18.0755818294 47.7363298183 SOLV 3464 0.0000000000
|
|
10611 3665 TIP3 H2 44.9731073794 19.4419470460 48.1540026937 SOLV 3464 0.0000000000
|
|
10612 3666 TIP3 OH2 48.5431190634 28.3352750461 41.6875134478 SOLV 3465 0.0000000000
|
|
10613 3666 TIP3 H1 47.6911126905 28.8136452076 41.5992028559 SOLV 3465 0.0000000000
|
|
10614 3666 TIP3 H2 49.1359731794 29.1033996255 41.6268846172 SOLV 3465 0.0000000000
|
|
10615 3667 TIP3 OH2 48.3384436691 26.4481592494 38.9834378520 SOLV 3466 0.0000000000
|
|
10616 3667 TIP3 H1 48.4286435559 26.6329392780 39.9327207019 SOLV 3466 0.0000000000
|
|
10617 3667 TIP3 H2 48.6033177570 25.5163253480 38.9377263545 SOLV 3466 0.0000000000
|
|
10618 3668 TIP3 OH2 43.5389073698 28.8585091873 44.9576572589 SOLV 3467 0.0000000000
|
|
10619 3668 TIP3 H1 43.3308040082 28.4718878104 44.0728073845 SOLV 3467 0.0000000000
|
|
10620 3668 TIP3 H2 44.1813452412 28.2039068666 45.3245813726 SOLV 3467 0.0000000000
|
|
10621 3669 TIP3 OH2 45.0644305620 32.3190049842 47.2911173427 SOLV 3468 0.0000000000
|
|
10622 3669 TIP3 H1 45.2894865152 31.4121601285 47.0551888739 SOLV 3468 0.0000000000
|
|
10623 3669 TIP3 H2 45.1327477894 32.2509521836 48.2552360176 SOLV 3468 0.0000000000
|
|
10624 3670 TIP3 OH2 44.0634478317 27.6142136159 48.7744734486 SOLV 3469 0.0000000000
|
|
10625 3670 TIP3 H1 44.2934162892 27.4902078700 47.8332676945 SOLV 3469 0.0000000000
|
|
10626 3670 TIP3 H2 44.9204782327 27.4620019724 49.2352919523 SOLV 3469 0.0000000000
|
|
10627 3671 TIP3 OH2 48.7675107906 34.3295584440 44.2950628672 SOLV 3470 0.0000000000
|
|
10628 3671 TIP3 H1 48.6995111532 34.8127268359 45.1439694302 SOLV 3470 0.0000000000
|
|
10629 3671 TIP3 H2 48.5455799890 35.0704680774 43.7020481784 SOLV 3470 0.0000000000
|
|
10630 3672 TIP3 OH2 42.6201809098 27.8463637861 42.5272908132 SOLV 3471 0.0000000000
|
|
10631 3672 TIP3 H1 42.1030065467 28.6257664417 42.2121156024 SOLV 3471 0.0000000000
|
|
10632 3672 TIP3 H2 42.0519669759 27.1083612297 42.2620781050 SOLV 3471 0.0000000000
|
|
10633 3673 TIP3 OH2 38.2556800441 33.5739075843 48.0953205214 SOLV 3472 0.0000000000
|
|
10634 3673 TIP3 H1 38.8586499532 33.0531999952 48.6445711543 SOLV 3472 0.0000000000
|
|
10635 3673 TIP3 H2 37.9019839719 34.2494260632 48.7060398683 SOLV 3472 0.0000000000
|
|
10636 3674 TIP3 OH2 48.2461072987 36.7317233377 42.9382022439 SOLV 3473 0.0000000000
|
|
10637 3674 TIP3 H1 48.3076424867 36.7240544415 41.9658924354 SOLV 3473 0.0000000000
|
|
10638 3674 TIP3 H2 47.8442234813 37.6109582067 43.1085435090 SOLV 3473 0.0000000000
|
|
10639 3675 TIP3 OH2 41.4322042085 35.2254981068 44.8969611731 SOLV 3474 0.0000000000
|
|
10640 3675 TIP3 H1 40.6085015445 35.3642978961 45.4108950598 SOLV 3474 0.0000000000
|
|
10641 3675 TIP3 H2 41.0975202887 34.6240902541 44.2054972792 SOLV 3474 0.0000000000
|
|
10642 3676 TIP3 OH2 43.6018056915 20.2494776518 48.6521571653 SOLV 3475 0.0000000000
|
|
10643 3676 TIP3 H1 42.7410339063 20.3109003034 48.1870519710 SOLV 3475 0.0000000000
|
|
10644 3676 TIP3 H2 43.7027535408 21.1425470277 49.0110548128 SOLV 3475 0.0000000000
|
|
10645 3677 TIP3 OH2 47.9139015294 22.0426294421 39.3580581913 SOLV 3476 0.0000000000
|
|
10646 3677 TIP3 H1 47.3366615957 22.1478813349 40.1427766827 SOLV 3476 0.0000000000
|
|
10647 3677 TIP3 H2 47.2588874206 21.6065059714 38.7816266704 SOLV 3476 0.0000000000
|
|
10648 3678 TIP3 OH2 42.9526816815 25.3382232708 49.7746305039 SOLV 3477 0.0000000000
|
|
10649 3678 TIP3 H1 42.0370791345 25.5790969915 50.0758303575 SOLV 3477 0.0000000000
|
|
10650 3678 TIP3 H2 43.2728144807 26.1469424030 49.3239597384 SOLV 3477 0.0000000000
|
|
10651 3679 TIP3 OH2 43.5019443853 24.9676302354 44.6791022341 SOLV 3478 0.0000000000
|
|
10652 3679 TIP3 H1 42.5357575848 24.8995634920 44.7443162028 SOLV 3478 0.0000000000
|
|
10653 3679 TIP3 H2 43.6276703597 24.9765965307 43.7076747371 SOLV 3478 0.0000000000
|
|
10654 3680 TIP3 OH2 47.9525926132 25.9289358058 43.1551898893 SOLV 3479 0.0000000000
|
|
10655 3680 TIP3 H1 48.1666303604 26.7365782971 42.6529102092 SOLV 3479 0.0000000000
|
|
10656 3680 TIP3 H2 48.6160489162 25.2726145131 42.8416599219 SOLV 3479 0.0000000000
|
|
10657 3681 TIP3 OH2 44.6620551456 22.6855855988 38.2015247378 SOLV 3480 0.0000000000
|
|
10658 3681 TIP3 H1 44.2210444767 22.4478777358 39.0430296975 SOLV 3480 0.0000000000
|
|
10659 3681 TIP3 H2 44.0993984948 23.4159615437 37.8847637439 SOLV 3480 0.0000000000
|
|
10660 3682 TIP3 OH2 37.8797072713 22.3411675277 45.4301436316 SOLV 3481 0.0000000000
|
|
10661 3682 TIP3 H1 38.6486385647 22.3021361468 46.0491194920 SOLV 3481 0.0000000000
|
|
10662 3682 TIP3 H2 38.3017500335 22.4285556919 44.5717996170 SOLV 3481 0.0000000000
|
|
10663 3683 TIP3 OH2 38.2001703860 23.1736967729 40.5380059203 SOLV 3482 0.0000000000
|
|
10664 3683 TIP3 H1 38.9593995281 23.6143172700 40.1085737424 SOLV 3482 0.0000000000
|
|
10665 3683 TIP3 H2 37.6244308794 23.9522619621 40.6953609676 SOLV 3482 0.0000000000
|
|
10666 3684 TIP3 OH2 46.3384753605 23.1179929805 45.7583884737 SOLV 3483 0.0000000000
|
|
10667 3684 TIP3 H1 45.4562026604 22.7971825861 46.0622116020 SOLV 3483 0.0000000000
|
|
10668 3684 TIP3 H2 46.9236949744 22.3948027703 46.0652727950 SOLV 3483 0.0000000000
|
|
10669 3685 TIP3 OH2 40.6743423161 24.4821785929 44.4625211047 SOLV 3484 0.0000000000
|
|
10670 3685 TIP3 H1 40.0668365902 24.8135480345 43.7625924871 SOLV 3484 0.0000000000
|
|
10671 3685 TIP3 H2 41.0044307962 23.6405355354 44.0801203959 SOLV 3484 0.0000000000
|
|
10672 3686 TIP3 OH2 43.7274919323 24.3027486793 41.9781469764 SOLV 3485 0.0000000000
|
|
10673 3686 TIP3 H1 44.6761757705 24.3042995372 42.2299481267 SOLV 3485 0.0000000000
|
|
10674 3686 TIP3 H2 43.6946855353 24.9679522434 41.2608936040 SOLV 3485 0.0000000000
|
|
10675 3687 TIP3 OH2 43.5804600297 25.6706994485 39.6165546545 SOLV 3486 0.0000000000
|
|
10676 3687 TIP3 H1 43.1629523004 25.2340277821 38.8517603038 SOLV 3486 0.0000000000
|
|
10677 3687 TIP3 H2 44.3263101319 26.1361132368 39.1709735487 SOLV 3486 0.0000000000
|
|
10678 3688 TIP3 OH2 46.8423799771 25.7059312479 47.4656912603 SOLV 3487 0.0000000000
|
|
10679 3688 TIP3 H1 47.1314235938 25.0519323050 46.8121510081 SOLV 3487 0.0000000000
|
|
10680 3688 TIP3 H2 46.8103461352 25.1548400034 48.2814586420 SOLV 3487 0.0000000000
|
|
10681 3689 TIP3 OH2 41.8693259558 21.8939470928 44.0958224434 SOLV 3488 0.0000000000
|
|
10682 3689 TIP3 H1 41.4203714537 21.0664175167 44.3942242859 SOLV 3488 0.0000000000
|
|
10683 3689 TIP3 H2 42.2244893448 21.6072343051 43.2436706752 SOLV 3488 0.0000000000
|
|
10684 3690 TIP3 OH2 46.3526354944 24.3061476916 49.7450956789 SOLV 3489 0.0000000000
|
|
10685 3690 TIP3 H1 45.5792124306 23.7239849454 49.7127737946 SOLV 3489 0.0000000000
|
|
10686 3690 TIP3 H2 46.9532612199 23.7800754394 50.3256851385 SOLV 3489 0.0000000000
|
|
10687 3691 TIP3 OH2 46.4514915136 30.2293332155 41.4667822825 SOLV 3490 0.0000000000
|
|
10688 3691 TIP3 H1 45.6423741693 29.8483807933 41.0535164473 SOLV 3490 0.0000000000
|
|
10689 3691 TIP3 H2 46.0537162213 30.5654425211 42.2976038412 SOLV 3490 0.0000000000
|
|
10690 3692 TIP3 OH2 41.8350553468 29.7245850435 47.1262658403 SOLV 3491 0.0000000000
|
|
10691 3692 TIP3 H1 42.4805402261 29.2802237019 46.5464537590 SOLV 3491 0.0000000000
|
|
10692 3692 TIP3 H2 41.7127424476 29.0637090353 47.8283188844 SOLV 3491 0.0000000000
|
|
10693 3693 TIP3 OH2 48.7004778049 31.6825543816 40.8955146997 SOLV 3492 0.0000000000
|
|
10694 3693 TIP3 H1 48.2895945713 32.5689348702 41.0074204511 SOLV 3492 0.0000000000
|
|
10695 3693 TIP3 H2 47.9367248283 31.1154626087 41.1221124921 SOLV 3492 0.0000000000
|
|
10696 3694 TIP3 OH2 40.0088856042 27.7762679078 39.4344485091 SOLV 3493 0.0000000000
|
|
10697 3694 TIP3 H1 40.3889996277 28.2012661509 40.2274302748 SOLV 3493 0.0000000000
|
|
10698 3694 TIP3 H2 39.0479553138 27.8256437260 39.6257382059 SOLV 3493 0.0000000000
|
|
10699 3695 TIP3 OH2 45.3126193164 30.9230755637 43.9258771941 SOLV 3494 0.0000000000
|
|
10700 3695 TIP3 H1 46.1058867402 30.6534450865 44.3939689412 SOLV 3494 0.0000000000
|
|
10701 3695 TIP3 H2 44.6238822107 30.4534548512 44.4184844080 SOLV 3494 0.0000000000
|
|
10702 3696 TIP3 OH2 45.6411695170 33.2946086807 38.0787015002 SOLV 3495 0.0000000000
|
|
10703 3696 TIP3 H1 45.7944796493 32.5464446316 37.4780702637 SOLV 3495 0.0000000000
|
|
10704 3696 TIP3 H2 45.1694976984 32.8422554482 38.8101984287 SOLV 3495 0.0000000000
|
|
10705 3697 TIP3 OH2 44.5490140649 32.6653804711 40.5233041783 SOLV 3496 0.0000000000
|
|
10706 3697 TIP3 H1 45.2676863201 32.2237676028 41.0068059554 SOLV 3496 0.0000000000
|
|
10707 3697 TIP3 H2 44.6528476341 33.5872089154 40.8501899838 SOLV 3496 0.0000000000
|
|
10708 3698 TIP3 OH2 41.0867109111 29.6966069499 41.1711942269 SOLV 3497 0.0000000000
|
|
10709 3698 TIP3 H1 40.2638305580 30.1362795759 41.4766669408 SOLV 3497 0.0000000000
|
|
10710 3698 TIP3 H2 41.4646313044 30.3882516682 40.5857974036 SOLV 3497 0.0000000000
|
|
10711 3699 TIP3 OH2 49.0212743555 23.5204807677 42.0961396935 SOLV 3498 0.0000000000
|
|
10712 3699 TIP3 H1 48.9602801820 22.9555608282 41.3143932276 SOLV 3498 0.0000000000
|
|
10713 3699 TIP3 H2 49.7890443844 23.1702226251 42.5748218246 SOLV 3498 0.0000000000
|
|
10714 3700 TIP3 OH2 47.4390691829 34.0397893253 41.1194042842 SOLV 3499 0.0000000000
|
|
10715 3700 TIP3 H1 46.6084270201 34.5276091270 41.3009048228 SOLV 3499 0.0000000000
|
|
10716 3700 TIP3 H2 48.0098099932 34.7719972258 40.8296164516 SOLV 3499 0.0000000000
|
|
10717 3701 TIP3 OH2 46.1821336061 23.8968524504 43.1333554227 SOLV 3500 0.0000000000
|
|
10718 3701 TIP3 H1 46.7962855731 24.6719162559 43.1247210279 SOLV 3500 0.0000000000
|
|
10719 3701 TIP3 H2 46.1388394939 23.7304167786 44.1082795096 SOLV 3500 0.0000000000
|
|
10720 3702 TIP3 OH2 47.5130096206 20.6413446366 43.8363760948 SOLV 3501 0.0000000000
|
|
10721 3702 TIP3 H1 47.7665340452 20.5794518279 44.7901826499 SOLV 3501 0.0000000000
|
|
10722 3702 TIP3 H2 47.9373548497 21.4975364416 43.6430496600 SOLV 3501 0.0000000000
|
|
10723 3703 TIP3 OH2 44.9892889603 35.1318784307 41.3830635608 SOLV 3502 0.0000000000
|
|
10724 3703 TIP3 H1 45.0609323903 35.8085275587 40.6676387739 SOLV 3502 0.0000000000
|
|
10725 3703 TIP3 H2 44.6980282609 35.6904104379 42.1087677814 SOLV 3502 0.0000000000
|
|
10726 3704 TIP3 OH2 43.5915201322 21.9229729887 40.6088849462 SOLV 3503 0.0000000000
|
|
10727 3704 TIP3 H1 43.4552185593 22.7025263173 41.1968767468 SOLV 3503 0.0000000000
|
|
10728 3704 TIP3 H2 44.5040829664 21.6698006906 40.8652990010 SOLV 3503 0.0000000000
|
|
10729 3705 TIP3 OH2 41.9805668797 31.8329968958 39.5789652741 SOLV 3504 0.0000000000
|
|
10730 3705 TIP3 H1 42.7556213492 32.2781798491 39.9893758997 SOLV 3504 0.0000000000
|
|
10731 3705 TIP3 H2 42.4423959371 31.2854164193 38.8947017551 SOLV 3504 0.0000000000
|
|
10732 3706 TIP3 OH2 40.0961600932 24.9740207006 39.3030439890 SOLV 3505 0.0000000000
|
|
10733 3706 TIP3 H1 40.2749510669 25.9328042586 39.3516932774 SOLV 3505 0.0000000000
|
|
10734 3706 TIP3 H2 39.8557944460 24.8769285356 38.3711990399 SOLV 3505 0.0000000000
|
|
10735 3707 TIP3 OH2 41.2110212863 19.9684540568 47.5271676601 SOLV 3506 0.0000000000
|
|
10736 3707 TIP3 H1 41.1374268936 19.8937400601 46.5507754622 SOLV 3506 0.0000000000
|
|
10737 3707 TIP3 H2 40.9233870331 19.0690028508 47.8014584534 SOLV 3506 0.0000000000
|
|
10738 3708 TIP3 OH2 39.4694371691 33.8161798710 43.3374063817 SOLV 3507 0.0000000000
|
|
10739 3708 TIP3 H1 38.7233225730 34.1519219463 43.8577098930 SOLV 3507 0.0000000000
|
|
10740 3708 TIP3 H2 39.5526416457 34.5458198586 42.6794891737 SOLV 3507 0.0000000000
|
|
10741 3709 TIP3 OH2 48.1555968550 34.6068265090 37.9039057461 SOLV 3508 0.0000000000
|
|
10742 3709 TIP3 H1 47.2861321110 34.1714952742 38.0445892886 SOLV 3508 0.0000000000
|
|
10743 3709 TIP3 H2 48.7124495049 33.8026389447 37.8847555750 SOLV 3508 0.0000000000
|
|
10744 3710 TIP3 OH2 43.3672254963 30.1511264680 37.9897280929 SOLV 3509 0.0000000000
|
|
10745 3710 TIP3 H1 43.6434388774 29.6469577116 38.7878294320 SOLV 3509 0.0000000000
|
|
10746 3710 TIP3 H2 44.2000564640 30.1145429095 37.4791582175 SOLV 3509 0.0000000000
|
|
10747 3711 TIP3 OH2 48.7259310486 31.6707453006 38.0932347202 SOLV 3510 0.0000000000
|
|
10748 3711 TIP3 H1 48.7430509258 31.5171036213 39.0513503201 SOLV 3510 0.0000000000
|
|
10749 3711 TIP3 H2 48.6477085137 30.7492384046 37.7632202162 SOLV 3510 0.0000000000
|
|
10750 3712 TIP3 OH2 44.3685525415 28.8817414709 40.3140740447 SOLV 3511 0.0000000000
|
|
10751 3712 TIP3 H1 43.8936494461 28.3142609990 40.9482064022 SOLV 3511 0.0000000000
|
|
10752 3712 TIP3 H2 44.8413633230 28.2199787784 39.7634775918 SOLV 3511 0.0000000000
|
|
10753 3713 TIP3 OH2 45.7323523551 27.1449793500 38.5602880143 SOLV 3512 0.0000000000
|
|
10754 3713 TIP3 H1 45.7503173199 27.4272527542 37.6070147542 SOLV 3512 0.0000000000
|
|
10755 3713 TIP3 H2 46.6480996316 26.8300205247 38.6794440165 SOLV 3512 0.0000000000
|
|
10756 3714 TIP3 OH2 45.9879526551 37.2533319055 39.9294970223 SOLV 3513 0.0000000000
|
|
10757 3714 TIP3 H1 46.9250967549 37.0227547569 40.0538312565 SOLV 3513 0.0000000000
|
|
10758 3714 TIP3 H2 46.0369552667 38.0066487454 39.3055122013 SOLV 3513 0.0000000000
|
|
10759 3715 TIP3 OH2 39.3421547547 32.3275607100 39.2306936606 SOLV 3514 0.0000000000
|
|
10760 3715 TIP3 H1 40.3135411780 32.2066350102 39.3998460092 SOLV 3514 0.0000000000
|
|
10761 3715 TIP3 H2 39.2606836662 31.7291521776 38.4525381441 SOLV 3514 0.0000000000
|
|
10762 3716 TIP3 OH2 38.2437436128 37.3608348031 44.6182012393 SOLV 3515 0.0000000000
|
|
10763 3716 TIP3 H1 37.6530369744 36.9501597259 43.9518465057 SOLV 3515 0.0000000000
|
|
10764 3716 TIP3 H2 38.4514049189 36.5695219168 45.1460190086 SOLV 3515 0.0000000000
|
|
10765 3717 TIP3 OH2 39.0980330806 35.3145248259 46.2752954771 SOLV 3516 0.0000000000
|
|
10766 3717 TIP3 H1 38.5962908346 34.5855132080 46.7063221292 SOLV 3516 0.0000000000
|
|
10767 3717 TIP3 H2 39.3518269632 35.8536037715 47.0541173613 SOLV 3516 0.0000000000
|
|
10768 3718 TIP3 OH2 38.5643845292 28.7755303079 48.3788740791 SOLV 3517 0.0000000000
|
|
10769 3718 TIP3 H1 38.6654189523 28.5816317766 47.4209593188 SOLV 3517 0.0000000000
|
|
10770 3718 TIP3 H2 39.4980096813 28.6551863047 48.6676699503 SOLV 3517 0.0000000000
|
|
10771 3719 TIP3 OH2 39.5882668974 22.0990313177 47.4802535651 SOLV 3518 0.0000000000
|
|
10772 3719 TIP3 H1 40.1761111195 21.3182129712 47.5825638627 SOLV 3518 0.0000000000
|
|
10773 3719 TIP3 H2 40.2312540433 22.8193600714 47.4899382484 SOLV 3518 0.0000000000
|
|
10774 3720 TIP3 OH2 37.5387057823 25.2469785971 48.4627892635 SOLV 3519 0.0000000000
|
|
10775 3720 TIP3 H1 38.1702559416 25.0490551759 47.7373178745 SOLV 3519 0.0000000000
|
|
10776 3720 TIP3 H2 37.6828524395 26.1971613504 48.5441612972 SOLV 3519 0.0000000000
|
|
10777 3721 TIP3 OH2 38.2009399283 21.2926192825 42.5089076904 SOLV 3520 0.0000000000
|
|
10778 3721 TIP3 H1 37.2290486998 21.3036397277 42.5871371972 SOLV 3520 0.0000000000
|
|
10779 3721 TIP3 H2 38.3371890202 22.0256668090 41.8771829333 SOLV 3520 0.0000000000
|
|
10780 3722 TIP3 OH2 48.3598669287 37.7999304969 48.8324056170 SOLV 3521 0.0000000000
|
|
10781 3722 TIP3 H1 47.4295370793 38.0262712435 48.6016927066 SOLV 3521 0.0000000000
|
|
10782 3722 TIP3 H2 48.3272886836 37.7374470091 49.8114110205 SOLV 3521 0.0000000000
|
|
10783 3723 TIP3 OH2 40.6460060618 36.3541968958 48.2368805327 SOLV 3522 0.0000000000
|
|
10784 3723 TIP3 H1 40.5539844090 36.4408797766 49.2164462373 SOLV 3522 0.0000000000
|
|
10785 3723 TIP3 H2 41.3395542699 35.6944487973 48.1787923317 SOLV 3522 0.0000000000
|
|
10786 3724 TIP3 OH2 44.9281462579 35.3429606239 47.6989897581 SOLV 3523 0.0000000000
|
|
10787 3724 TIP3 H1 45.6455949400 34.6890344027 47.5862959187 SOLV 3523 0.0000000000
|
|
10788 3724 TIP3 H2 44.8125201903 35.2849331373 48.6661203980 SOLV 3523 0.0000000000
|
|
10789 3725 TIP3 OH2 47.7814131015 20.9299437438 46.4922978627 SOLV 3524 0.0000000000
|
|
10790 3725 TIP3 H1 47.3039266058 20.1730256953 46.8872336829 SOLV 3524 0.0000000000
|
|
10791 3725 TIP3 H2 48.4783135629 21.0598907046 47.1633869168 SOLV 3524 0.0000000000
|
|
10792 3726 TIP3 OH2 40.7668294793 19.5821568463 44.8828300432 SOLV 3525 0.0000000000
|
|
10793 3726 TIP3 H1 39.8074719001 19.4612397070 44.7235076501 SOLV 3525 0.0000000000
|
|
10794 3726 TIP3 H2 41.0789672523 18.6617478074 44.7524272743 SOLV 3525 0.0000000000
|
|
10795 3727 TIP3 OH2 39.5804535273 19.6962360019 40.6054612372 SOLV 3526 0.0000000000
|
|
10796 3727 TIP3 H1 40.1623201397 20.3552328724 40.1826823445 SOLV 3526 0.0000000000
|
|
10797 3727 TIP3 H2 39.2043083758 20.2040398466 41.3529615145 SOLV 3526 0.0000000000
|
|
10798 3728 TIP3 OH2 45.2302736496 19.2190800095 44.8156697530 SOLV 3527 0.0000000000
|
|
10799 3728 TIP3 H1 45.9192224792 19.7220161802 44.3345316617 SOLV 3527 0.0000000000
|
|
10800 3728 TIP3 H2 45.5463683427 19.2377738914 45.7254930175 SOLV 3527 0.0000000000
|
|
10801 3729 TIP3 OH2 39.4605356033 35.8697538770 41.6886254146 SOLV 3528 0.0000000000
|
|
10802 3729 TIP3 H1 38.7659449725 35.8225882293 41.0040371667 SOLV 3528 0.0000000000
|
|
10803 3729 TIP3 H2 39.7809271761 36.7699177074 41.4802928279 SOLV 3528 0.0000000000
|
|
10804 3730 TIP3 OH2 41.3127570176 21.5130344078 39.2372997050 SOLV 3529 0.0000000000
|
|
10805 3730 TIP3 H1 41.5817757350 20.8264781739 38.5952034090 SOLV 3529 0.0000000000
|
|
10806 3730 TIP3 H2 42.1816841962 21.6595674687 39.6712120089 SOLV 3529 0.0000000000
|
|
10807 3731 TIP3 OH2 46.2270197877 21.9203206700 41.3743436782 SOLV 3530 0.0000000000
|
|
10808 3731 TIP3 H1 46.3587850941 21.3198850528 42.1173721934 SOLV 3530 0.0000000000
|
|
10809 3731 TIP3 H2 46.3257334079 22.7847330148 41.8326875922 SOLV 3530 0.0000000000
|
|
10810 3732 TIP3 OH2 48.5937200657 36.3424176693 40.0331546726 SOLV 3531 0.0000000000
|
|
10811 3732 TIP3 H1 49.2628313858 36.9297874987 39.6392780039 SOLV 3531 0.0000000000
|
|
10812 3732 TIP3 H2 48.3849274155 35.7940135346 39.2354415231 SOLV 3531 0.0000000000
|
|
10813 3733 TIP3 OH2 41.1385884545 36.0008765972 37.9666029158 SOLV 3532 0.0000000000
|
|
10814 3733 TIP3 H1 41.2158153564 36.1372480300 38.9216195502 SOLV 3532 0.0000000000
|
|
10815 3733 TIP3 H2 41.9548466475 35.4605486191 37.8167635013 SOLV 3532 0.0000000000
|
|
10816 3734 TIP3 OH2 11.8122453688 47.4869950712 44.6587479326 SOLV 3533 0.0000000000
|
|
10817 3734 TIP3 H1 11.9594591919 48.3371213804 45.0922608780 SOLV 3533 0.0000000000
|
|
10818 3734 TIP3 H2 11.1272480820 47.7143469324 44.0176703541 SOLV 3533 0.0000000000
|
|
10819 3735 TIP3 OH2 10.8125898308 46.7089647153 48.4973094959 SOLV 3534 0.0000000000
|
|
10820 3735 TIP3 H1 10.7400843106 46.2919318973 49.3857886382 SOLV 3534 0.0000000000
|
|
10821 3735 TIP3 H2 10.3427191376 46.0486902005 47.9303860285 SOLV 3534 0.0000000000
|
|
10822 3736 TIP3 OH2 4.0296567964 46.4904843416 -0.4010784895 SOLV 3535 0.0000000000
|
|
10823 3736 TIP3 H1 3.3608164033 46.6059016694 0.2951620036 SOLV 3535 0.0000000000
|
|
10824 3736 TIP3 H2 4.5973182250 47.2701445367 -0.2146700921 SOLV 3535 0.0000000000
|
|
10825 3737 TIP3 OH2 14.1999979848 49.0866329630 46.6015522488 SOLV 3536 0.0000000000
|
|
10826 3737 TIP3 H1 14.0531940550 48.4449572235 47.3204509516 SOLV 3536 0.0000000000
|
|
10827 3737 TIP3 H2 14.9369602417 49.6208684378 46.9461094419 SOLV 3536 0.0000000000
|
|
10828 3738 TIP3 OH2 0.9873216954 45.0236887185 43.5904337506 SOLV 3537 0.0000000000
|
|
10829 3738 TIP3 H1 0.6543926793 45.9300163765 43.7453377755 SOLV 3537 0.0000000000
|
|
10830 3738 TIP3 H2 0.8267619747 44.6167127270 44.4578067512 SOLV 3537 0.0000000000
|
|
10831 3739 TIP3 OH2 1.7552442483 46.7658965004 46.1323168210 SOLV 3538 0.0000000000
|
|
10832 3739 TIP3 H1 2.0558776786 45.9005716011 46.4874003722 SOLV 3538 0.0000000000
|
|
10833 3739 TIP3 H2 2.5994455327 47.1626199482 45.8487083473 SOLV 3538 0.0000000000
|
|
10834 3740 TIP3 OH2 9.4614086989 48.9968921058 48.9490378533 SOLV 3539 0.0000000000
|
|
10835 3740 TIP3 H1 9.9650433454 48.2266995877 48.5891669397 SOLV 3539 0.0000000000
|
|
10836 3740 TIP3 H2 9.9594658805 49.1408514745 49.7588460277 SOLV 3539 0.0000000000
|
|
10837 3741 TIP3 OH2 18.9330783969 41.3183751564 49.3743960385 SOLV 3540 0.0000000000
|
|
10838 3741 TIP3 H1 18.8938624371 42.2458967545 49.0589840155 SOLV 3540 0.0000000000
|
|
10839 3741 TIP3 H2 19.5398552381 40.9280044629 48.7111494724 SOLV 3540 0.0000000000
|
|
10840 3742 TIP3 OH2 12.5301105000 43.9312152281 49.4317677290 SOLV 3541 0.0000000000
|
|
10841 3742 TIP3 H1 12.6188310946 42.9713039966 49.2754688454 SOLV 3541 0.0000000000
|
|
10842 3742 TIP3 H2 12.1735035161 44.1863583740 48.5681567836 SOLV 3541 0.0000000000
|
|
10843 3743 TIP3 OH2 6.1030906587 41.4836558988 46.0952453984 SOLV 3542 0.0000000000
|
|
10844 3743 TIP3 H1 6.2148567638 42.3497202840 45.6475193427 SOLV 3542 0.0000000000
|
|
10845 3743 TIP3 H2 5.5584428453 41.0271975356 45.4220711004 SOLV 3542 0.0000000000
|
|
10846 3744 TIP3 OH2 13.7484474518 41.9409247475 44.3355597066 SOLV 3543 0.0000000000
|
|
10847 3744 TIP3 H1 14.1265514909 41.7389043416 45.2241913420 SOLV 3543 0.0000000000
|
|
10848 3744 TIP3 H2 14.3343518391 42.6490995669 44.0291494445 SOLV 3543 0.0000000000
|
|
10849 3745 TIP3 OH2 2.1824807082 44.0970957930 46.6111456969 SOLV 3544 0.0000000000
|
|
10850 3745 TIP3 H1 2.8784991631 43.6626359504 47.1480931900 SOLV 3544 0.0000000000
|
|
10851 3745 TIP3 H2 2.4382979477 43.7734122946 45.7266934438 SOLV 3544 0.0000000000
|
|
10852 3746 TIP3 OH2 7.3806785608 45.7272649551 46.2224169255 SOLV 3545 0.0000000000
|
|
10853 3746 TIP3 H1 8.2326941842 45.3637871857 46.5372515063 SOLV 3545 0.0000000000
|
|
10854 3746 TIP3 H2 7.0044946248 44.9545740838 45.7669265780 SOLV 3545 0.0000000000
|
|
10855 3747 TIP3 OH2 14.8156327903 41.5186215126 46.6755475452 SOLV 3546 0.0000000000
|
|
10856 3747 TIP3 H1 14.1772714554 41.1850407744 47.3355151177 SOLV 3546 0.0000000000
|
|
10857 3747 TIP3 H2 15.4199063628 42.0455352636 47.2466980536 SOLV 3546 0.0000000000
|
|
10858 3748 TIP3 OH2 4.0692602490 42.4757988307 48.0017080202 SOLV 3547 0.0000000000
|
|
10859 3748 TIP3 H1 4.5355183782 43.0738400239 48.6279043187 SOLV 3547 0.0000000000
|
|
10860 3748 TIP3 H2 4.7827205222 41.9061547758 47.6652193059 SOLV 3547 0.0000000000
|
|
10861 3749 TIP3 OH2 8.1455912001 37.6727820431 47.6134063603 SOLV 3548 0.0000000000
|
|
10862 3749 TIP3 H1 7.7606648468 36.7854508655 47.4837381272 SOLV 3548 0.0000000000
|
|
10863 3749 TIP3 H2 7.3468870772 38.1566056034 47.9339603697 SOLV 3548 0.0000000000
|
|
10864 3750 TIP3 OH2 10.6811096878 46.8107282842 42.1953829844 SOLV 3549 0.0000000000
|
|
10865 3750 TIP3 H1 9.9681805485 47.4368988664 41.9207918244 SOLV 3549 0.0000000000
|
|
10866 3750 TIP3 H2 11.4047852723 47.0010027829 41.5633159648 SOLV 3549 0.0000000000
|
|
10867 3751 TIP3 OH2 11.1392130567 45.2940328472 39.1224659090 SOLV 3550 0.0000000000
|
|
10868 3751 TIP3 H1 11.8111348810 45.8165809900 39.5975850215 SOLV 3550 0.0000000000
|
|
10869 3751 TIP3 H2 11.7147187342 44.8360918052 38.4651193269 SOLV 3550 0.0000000000
|
|
10870 3752 TIP3 OH2 14.0496469258 46.5356733056 43.4308777731 SOLV 3551 0.0000000000
|
|
10871 3752 TIP3 H1 13.2939266003 46.8464171933 43.9780509168 SOLV 3551 0.0000000000
|
|
10872 3752 TIP3 H2 14.7198354906 46.3163282826 44.0999264774 SOLV 3551 0.0000000000
|
|
10873 3753 TIP3 OH2 5.5944917372 47.5936590777 45.2735442059 SOLV 3552 0.0000000000
|
|
10874 3753 TIP3 H1 5.2795742035 47.2648495815 44.3972784989 SOLV 3552 0.0000000000
|
|
10875 3753 TIP3 H2 6.2621734803 46.9161275612 45.5223181299 SOLV 3552 0.0000000000
|
|
10876 3754 TIP3 OH2 7.0714180475 46.2209763200 48.8653498727 SOLV 3553 0.0000000000
|
|
10877 3754 TIP3 H1 7.1442640782 46.2613784153 47.8840567596 SOLV 3553 0.0000000000
|
|
10878 3754 TIP3 H2 6.6561028600 47.0859414067 49.0729763035 SOLV 3553 0.0000000000
|
|
10879 3755 TIP3 OH2 13.0811993017 46.5503660512 40.7962057273 SOLV 3554 0.0000000000
|
|
10880 3755 TIP3 H1 13.6235932765 46.7575368280 41.5782202454 SOLV 3554 0.0000000000
|
|
10881 3755 TIP3 H2 13.6062576605 46.9951953728 40.0771773176 SOLV 3554 0.0000000000
|
|
10882 3756 TIP3 OH2 16.9432510194 37.8697819301 40.8863868630 SOLV 3555 0.0000000000
|
|
10883 3756 TIP3 H1 16.0053599346 38.0388886068 41.1038922331 SOLV 3555 0.0000000000
|
|
10884 3756 TIP3 H2 17.1859111046 38.7249876219 40.4592679413 SOLV 3555 0.0000000000
|
|
10885 3757 TIP3 OH2 4.3215088457 46.6967248220 43.0946569331 SOLV 3556 0.0000000000
|
|
10886 3757 TIP3 H1 4.2101389589 47.3643971768 42.3917617147 SOLV 3556 0.0000000000
|
|
10887 3757 TIP3 H2 3.6798974553 46.0411080579 42.8025707763 SOLV 3556 0.0000000000
|
|
10888 3758 TIP3 OH2 6.1118635048 39.1272982614 48.5905167876 SOLV 3557 0.0000000000
|
|
10889 3758 TIP3 H1 5.2066901271 39.0782624861 48.2069700207 SOLV 3557 0.0000000000
|
|
10890 3758 TIP3 H2 6.1143739565 40.0041084847 49.0092198222 SOLV 3557 0.0000000000
|
|
10891 3759 TIP3 OH2 14.4021157680 47.6492263780 38.7837657087 SOLV 3558 0.0000000000
|
|
10892 3759 TIP3 H1 14.3445944718 47.2968354302 37.8754570194 SOLV 3558 0.0000000000
|
|
10893 3759 TIP3 H2 15.3726092382 47.7772298356 38.8579531012 SOLV 3558 0.0000000000
|
|
10894 3760 TIP3 OH2 9.8360445793 41.3082470668 39.5599216278 SOLV 3559 0.0000000000
|
|
10895 3760 TIP3 H1 9.1405014817 41.1571561441 40.2278936678 SOLV 3559 0.0000000000
|
|
10896 3760 TIP3 H2 9.5879339933 40.6101877064 38.9269009256 SOLV 3559 0.0000000000
|
|
10897 3761 TIP3 OH2 5.4789724148 44.1898025617 49.7997466080 SOLV 3560 0.0000000000
|
|
10898 3761 TIP3 H1 4.7440853348 44.8292718021 49.6972683291 SOLV 3560 0.0000000000
|
|
10899 3761 TIP3 H2 6.2178954963 44.7551757774 49.4745694704 SOLV 3560 0.0000000000
|
|
10900 3762 TIP3 OH2 6.0706452880 43.8185493368 44.5845955814 SOLV 3561 0.0000000000
|
|
10901 3762 TIP3 H1 5.0767013359 43.8326872239 44.5488015810 SOLV 3561 0.0000000000
|
|
10902 3762 TIP3 H2 6.2656996838 44.2060169789 43.7305496835 SOLV 3561 0.0000000000
|
|
10903 3763 TIP3 OH2 11.6631189413 44.4269393544 43.4197202259 SOLV 3562 0.0000000000
|
|
10904 3763 TIP3 H1 11.5320761404 45.3789148805 43.2095440866 SOLV 3562 0.0000000000
|
|
10905 3763 TIP3 H2 12.2493897570 44.1352816993 42.6920936931 SOLV 3562 0.0000000000
|
|
10906 3764 TIP3 OH2 12.0888271738 43.5956108801 46.1304816262 SOLV 3563 0.0000000000
|
|
10907 3764 TIP3 H1 11.8917760334 44.3075902826 45.4972726126 SOLV 3563 0.0000000000
|
|
10908 3764 TIP3 H2 12.4219162005 42.9438201815 45.4892148559 SOLV 3563 0.0000000000
|
|
10909 3765 TIP3 OH2 7.0052719374 41.7210852999 38.3890101397 SOLV 3564 0.0000000000
|
|
10910 3765 TIP3 H1 6.3974884866 41.3928477939 39.0820862397 SOLV 3564 0.0000000000
|
|
10911 3765 TIP3 H2 6.4380649983 42.4046271382 37.9598489606 SOLV 3564 0.0000000000
|
|
10912 3766 TIP3 OH2 1.1094911899 41.6065215944 44.8888614074 SOLV 3565 0.0000000000
|
|
10913 3766 TIP3 H1 1.1207331924 41.6663328245 45.8580311563 SOLV 3565 0.0000000000
|
|
10914 3766 TIP3 H2 1.2552408756 40.6572253022 44.8112107117 SOLV 3565 0.0000000000
|
|
10915 3767 TIP3 OH2 1.9693282490 42.2277606403 41.1152126610 SOLV 3566 0.0000000000
|
|
10916 3767 TIP3 H1 2.0895765299 41.5785101207 40.4068520177 SOLV 3566 0.0000000000
|
|
10917 3767 TIP3 H2 1.9141298899 43.0665192283 40.5954153858 SOLV 3566 0.0000000000
|
|
10918 3768 TIP3 OH2 8.9171417058 41.8968989655 45.4411437275 SOLV 3567 0.0000000000
|
|
10919 3768 TIP3 H1 8.0623494903 41.6791423725 45.8673770864 SOLV 3567 0.0000000000
|
|
10920 3768 TIP3 H2 9.4831548642 41.1980703209 45.8391801287 SOLV 3567 0.0000000000
|
|
10921 3769 TIP3 OH2 3.3663710339 43.4307900801 44.1965901617 SOLV 3568 0.0000000000
|
|
10922 3769 TIP3 H1 2.6903257682 43.7908006465 43.5953076194 SOLV 3568 0.0000000000
|
|
10923 3769 TIP3 H2 3.4378410981 42.5111033554 43.8658413006 SOLV 3568 0.0000000000
|
|
10924 3770 TIP3 OH2 12.7298220654 41.2676964135 48.6724205418 SOLV 3569 0.0000000000
|
|
10925 3770 TIP3 H1 12.6602617314 40.8025700718 49.5152190208 SOLV 3569 0.0000000000
|
|
10926 3770 TIP3 H2 12.1321135364 40.7222414103 48.1383334756 SOLV 3569 0.0000000000
|
|
10927 3771 TIP3 OH2 9.6381334322 44.4828817470 47.3314843406 SOLV 3570 0.0000000000
|
|
10928 3771 TIP3 H1 10.2238340698 43.8443157574 46.8913950940 SOLV 3570 0.0000000000
|
|
10929 3771 TIP3 H2 9.2779832432 43.9563216105 48.0823491391 SOLV 3570 0.0000000000
|
|
10930 3772 TIP3 OH2 4.7202318092 40.3395806632 43.9598891932 SOLV 3571 0.0000000000
|
|
10931 3772 TIP3 H1 3.9614846214 39.7592775600 44.2126085191 SOLV 3571 0.0000000000
|
|
10932 3772 TIP3 H2 5.4143876115 39.6642265211 43.9604760495 SOLV 3571 0.0000000000
|
|
10933 3773 TIP3 OH2 8.8897155686 42.9706756467 49.4531350733 SOLV 3572 0.0000000000
|
|
10934 3773 TIP3 H1 8.0329559155 42.5267225512 49.4951051610 SOLV 3572 0.0000000000
|
|
10935 3773 TIP3 H2 9.3571713736 42.4907043150 50.1798942641 SOLV 3572 0.0000000000
|
|
10936 3774 TIP3 OH2 8.6908729057 48.2531049397 41.3260231222 SOLV 3573 0.0000000000
|
|
10937 3774 TIP3 H1 8.4910577001 48.9738000103 40.7100096307 SOLV 3573 0.0000000000
|
|
10938 3774 TIP3 H2 8.2302901258 48.5474433888 42.1487092628 SOLV 3573 0.0000000000
|
|
10939 3775 TIP3 OH2 12.4805162420 41.6222222352 40.2349239953 SOLV 3574 0.0000000000
|
|
10940 3775 TIP3 H1 11.5338379889 41.6471863023 39.9675409569 SOLV 3574 0.0000000000
|
|
10941 3775 TIP3 H2 12.7525756420 42.5560650667 40.2136623792 SOLV 3574 0.0000000000
|
|
10942 3776 TIP3 OH2 13.4370734993 43.9538828346 41.3004534740 SOLV 3575 0.0000000000
|
|
10943 3776 TIP3 H1 14.2813908313 43.8075198560 41.7783988335 SOLV 3575 0.0000000000
|
|
10944 3776 TIP3 H2 13.4982477488 44.9014230545 41.0658017757 SOLV 3575 0.0000000000
|
|
10945 3777 TIP3 OH2 3.8992110653 48.3578651603 47.3636443730 SOLV 3576 0.0000000000
|
|
10946 3777 TIP3 H1 4.4700388137 48.1275736162 46.5970714090 SOLV 3576 0.0000000000
|
|
10947 3777 TIP3 H2 4.3443289607 47.8657236183 48.0781463412 SOLV 3576 0.0000000000
|
|
10948 3778 TIP3 OH2 17.9711151398 44.2465041006 41.0251423794 SOLV 3577 0.0000000000
|
|
10949 3778 TIP3 H1 17.3689623438 44.0905930573 40.2564360827 SOLV 3577 0.0000000000
|
|
10950 3778 TIP3 H2 18.2091924279 45.1737031814 40.7880932584 SOLV 3577 0.0000000000
|
|
10951 3779 TIP3 OH2 13.5773435841 47.1331196646 48.4272826941 SOLV 3578 0.0000000000
|
|
10952 3779 TIP3 H1 12.6277544649 46.9201298459 48.3109053598 SOLV 3578 0.0000000000
|
|
10953 3779 TIP3 H2 13.9859061432 46.4187529011 47.8740778477 SOLV 3578 0.0000000000
|
|
10954 3780 TIP3 OH2 2.0140018786 46.9447391223 39.3144388375 SOLV 3579 0.0000000000
|
|
10955 3780 TIP3 H1 2.8357591003 47.1849080672 39.7999702649 SOLV 3579 0.0000000000
|
|
10956 3780 TIP3 H2 1.3596600826 47.4421098411 39.8057775425 SOLV 3579 0.0000000000
|
|
10957 3781 TIP3 OH2 7.6046132560 48.8836625175 43.7103113007 SOLV 3580 0.0000000000
|
|
10958 3781 TIP3 H1 7.5908484482 49.8555912809 43.8442978970 SOLV 3580 0.0000000000
|
|
10959 3781 TIP3 H2 7.1166776458 48.6051699794 44.5039712839 SOLV 3580 0.0000000000
|
|
10960 3782 TIP3 OH2 14.7935596141 48.8483423641 41.8078114667 SOLV 3581 0.0000000000
|
|
10961 3782 TIP3 H1 14.6613359806 48.0437794232 42.3514794089 SOLV 3581 0.0000000000
|
|
10962 3782 TIP3 H2 15.7260142030 48.7345466606 41.5247591004 SOLV 3581 0.0000000000
|
|
10963 3783 TIP3 OH2 3.9064635443 48.2499595550 40.7341648335 SOLV 3582 0.0000000000
|
|
10964 3783 TIP3 H1 3.2932778255 49.0247479384 40.7293385374 SOLV 3582 0.0000000000
|
|
10965 3783 TIP3 H2 4.7286889848 48.6939798629 40.4523324818 SOLV 3582 0.0000000000
|
|
10966 3784 TIP3 OH2 12.2882845963 40.5014074933 42.7018873259 SOLV 3583 0.0000000000
|
|
10967 3784 TIP3 H1 12.4566896023 40.8923346067 41.8125761799 SOLV 3583 0.0000000000
|
|
10968 3784 TIP3 H2 12.8399342024 41.0631011806 43.2908459133 SOLV 3583 0.0000000000
|
|
10969 3785 TIP3 OH2 9.1658110112 43.2428205667 43.0385862566 SOLV 3584 0.0000000000
|
|
10970 3785 TIP3 H1 10.0331403317 43.5903168516 43.3457163986 SOLV 3584 0.0000000000
|
|
10971 3785 TIP3 H2 8.8022157197 42.8846927515 43.8782447289 SOLV 3584 0.0000000000
|
|
10972 3786 TIP3 OH2 10.0283808915 39.4014541544 43.6361867052 SOLV 3585 0.0000000000
|
|
10973 3786 TIP3 H1 10.1183938173 39.6794888260 44.5835233150 SOLV 3585 0.0000000000
|
|
10974 3786 TIP3 H2 10.8853145156 39.7513248375 43.2895622192 SOLV 3585 0.0000000000
|
|
10975 3787 TIP3 OH2 5.7726455821 40.7662611887 40.6185940842 SOLV 3586 0.0000000000
|
|
10976 3787 TIP3 H1 5.3009915606 40.9303841581 41.4490976267 SOLV 3586 0.0000000000
|
|
10977 3787 TIP3 H2 6.6653646418 40.5365086724 40.9590385499 SOLV 3586 0.0000000000
|
|
10978 3788 TIP3 OH2 14.4537549276 44.9135060493 46.9003575759 SOLV 3587 0.0000000000
|
|
10979 3788 TIP3 H1 13.7010181972 44.2961538436 46.8625194053 SOLV 3587 0.0000000000
|
|
10980 3788 TIP3 H2 15.1027708606 44.3977216507 47.4317678177 SOLV 3587 0.0000000000
|
|
10981 3789 TIP3 OH2 1.6030646310 44.1754118690 39.3384028856 SOLV 3588 0.0000000000
|
|
10982 3789 TIP3 H1 1.7131016203 45.1452194012 39.2791313621 SOLV 3588 0.0000000000
|
|
10983 3789 TIP3 H2 1.3109380912 43.9224655861 38.4356608877 SOLV 3588 0.0000000000
|
|
10984 3790 TIP3 OH2 3.6338092854 39.0036419540 47.4132632901 SOLV 3589 0.0000000000
|
|
10985 3790 TIP3 H1 3.5261095055 38.8525485443 46.4522434935 SOLV 3589 0.0000000000
|
|
10986 3790 TIP3 H2 3.2222341839 38.1700418633 47.7300541388 SOLV 3589 0.0000000000
|
|
10987 3791 TIP3 OH2 5.8024636105 49.0577069601 39.0298335154 SOLV 3590 0.0000000000
|
|
10988 3791 TIP3 H1 5.1407372004 48.4385263897 38.6895883291 SOLV 3590 0.0000000000
|
|
10989 3791 TIP3 H2 6.5851051227 48.7054412157 38.5271901896 SOLV 3590 0.0000000000
|
|
10990 3792 TIP3 OH2 17.0145818306 48.2457719030 38.5049807506 SOLV 3591 0.0000000000
|
|
10991 3792 TIP3 H1 16.9184062755 48.2852902727 37.5354621156 SOLV 3591 0.0000000000
|
|
10992 3792 TIP3 H2 17.0657201193 49.1864436365 38.7754443431 SOLV 3591 0.0000000000
|
|
10993 3793 TIP3 OH2 17.6457575105 48.6110603397 41.9882720077 SOLV 3592 0.0000000000
|
|
10994 3793 TIP3 H1 17.9385050002 49.4614450140 42.3295987262 SOLV 3592 0.0000000000
|
|
10995 3793 TIP3 H2 17.6689268220 48.0682070296 42.8047720764 SOLV 3592 0.0000000000
|
|
10996 3794 TIP3 OH2 18.0050197502 47.0451401253 44.2194455439 SOLV 3593 0.0000000000
|
|
10997 3794 TIP3 H1 17.4128329710 46.3749720682 44.6339705317 SOLV 3593 0.0000000000
|
|
10998 3794 TIP3 H2 18.7912539491 46.9776646786 44.7971758147 SOLV 3593 0.0000000000
|
|
10999 3795 TIP3 OH2 18.0595028338 0.1135901690 49.3633151707 SOLV 3594 0.0000000000
|
|
11000 3795 TIP3 H1 18.6433293838 -0.2030698944 48.6667181279 SOLV 3594 0.0000000000
|
|
11001 3795 TIP3 H2 17.3379226227 0.5342051448 48.8669627544 SOLV 3594 0.0000000000
|
|
11002 3796 TIP3 OH2 18.5522757667 46.8103256843 40.1922226511 SOLV 3595 0.0000000000
|
|
11003 3796 TIP3 H1 17.8799841363 47.1184476077 39.5378672842 SOLV 3595 0.0000000000
|
|
11004 3796 TIP3 H2 18.3153197232 47.4153479385 40.9199715047 SOLV 3595 0.0000000000
|
|
11005 3797 TIP3 OH2 16.7382975462 44.0961400180 38.6858841511 SOLV 3596 0.0000000000
|
|
11006 3797 TIP3 H1 16.8113098187 44.4850648685 37.8126826145 SOLV 3596 0.0000000000
|
|
11007 3797 TIP3 H2 16.5171521356 43.1742119128 38.4449976410 SOLV 3596 0.0000000000
|
|
11008 3798 TIP3 OH2 16.2589502708 45.1135267233 44.8761365871 SOLV 3597 0.0000000000
|
|
11009 3798 TIP3 H1 16.0488987893 44.3571454380 44.3024111909 SOLV 3597 0.0000000000
|
|
11010 3798 TIP3 H2 15.6669607217 45.0241462112 45.6535967998 SOLV 3597 0.0000000000
|
|
11011 3799 TIP3 OH2 1.1147347202 46.9607404816 48.7806487115 SOLV 3598 0.0000000000
|
|
11012 3799 TIP3 H1 1.2396716155 47.0888424311 47.8156887705 SOLV 3598 0.0000000000
|
|
11013 3799 TIP3 H2 1.9866063401 47.2430279848 49.0879708192 SOLV 3598 0.0000000000
|
|
11014 3800 TIP3 OH2 15.9282974874 41.6817250996 37.8540213477 SOLV 3599 0.0000000000
|
|
11015 3800 TIP3 H1 16.4195894433 41.0287012265 38.3904043212 SOLV 3599 0.0000000000
|
|
11016 3800 TIP3 H2 15.0395811384 41.2864201445 37.7888905314 SOLV 3599 0.0000000000
|
|
11017 3801 TIP3 OH2 15.7293856985 43.2945556438 42.7271583521 SOLV 3600 0.0000000000
|
|
11018 3801 TIP3 H1 15.9370499142 42.3359156294 42.7481293581 SOLV 3600 0.0000000000
|
|
11019 3801 TIP3 H2 16.5877825843 43.6235388354 42.4111248324 SOLV 3600 0.0000000000
|
|
11020 3802 TIP3 OH2 16.2718865179 43.3151674270 48.2042201250 SOLV 3601 0.0000000000
|
|
11021 3802 TIP3 H1 17.2001042197 43.6416140804 48.3081181684 SOLV 3601 0.0000000000
|
|
11022 3802 TIP3 H2 16.2090751300 42.7452607090 48.9963825319 SOLV 3601 0.0000000000
|
|
11023 3803 TIP3 OH2 16.5523098245 40.5651972523 42.8808357182 SOLV 3602 0.0000000000
|
|
11024 3803 TIP3 H1 16.6773532439 40.2077010292 43.7797243358 SOLV 3602 0.0000000000
|
|
11025 3803 TIP3 H2 15.9019434722 39.9259031798 42.5205865566 SOLV 3602 0.0000000000
|
|
11026 3804 TIP3 OH2 1.7578974399 40.9281410096 47.4951041756 SOLV 3603 0.0000000000
|
|
11027 3804 TIP3 H1 2.3401135224 40.1368655705 47.6001199717 SOLV 3603 0.0000000000
|
|
11028 3804 TIP3 H2 2.4047595488 41.6304321627 47.6516230019 SOLV 3603 0.0000000000
|
|
11029 3805 TIP3 OH2 0.4587992644 44.3352696738 49.3699501594 SOLV 3604 0.0000000000
|
|
11030 3805 TIP3 H1 0.5742840097 43.9249666218 48.5020144948 SOLV 3604 0.0000000000
|
|
11031 3805 TIP3 H2 0.7157183118 45.2672036843 49.1737808621 SOLV 3604 0.0000000000
|
|
11032 3806 TIP3 OH2 17.6615047482 40.1021142948 39.5006759046 SOLV 3605 0.0000000000
|
|
11033 3806 TIP3 H1 18.1229226902 39.6265696223 38.7640467787 SOLV 3605 0.0000000000
|
|
11034 3806 TIP3 H2 18.4157167026 40.6003270848 39.8866738075 SOLV 3605 0.0000000000
|
|
11035 3807 TIP3 OH2 1.6395427252 39.8207889894 42.4723252594 SOLV 3606 0.0000000000
|
|
11036 3807 TIP3 H1 0.7289163380 39.9638085794 42.7617572362 SOLV 3606 0.0000000000
|
|
11037 3807 TIP3 H2 1.8669627443 40.7536149494 42.3094902081 SOLV 3606 0.0000000000
|
|
11038 3808 TIP3 OH2 10.3545147917 39.7662621929 46.2579628359 SOLV 3607 0.0000000000
|
|
11039 3808 TIP3 H1 10.0119882489 39.3336600829 47.0455110327 SOLV 3607 0.0000000000
|
|
11040 3808 TIP3 H2 11.3039333187 39.5367033842 46.3538891876 SOLV 3607 0.0000000000
|
|
11041 3809 TIP3 OH2 15.6814133537 37.7126342826 46.7880833120 SOLV 3608 0.0000000000
|
|
11042 3809 TIP3 H1 16.2986586946 38.3898992952 46.3992774299 SOLV 3608 0.0000000000
|
|
11043 3809 TIP3 H2 14.9477226199 38.2570724820 47.1177748970 SOLV 3608 0.0000000000
|
|
11044 3810 TIP3 OH2 17.3361087832 39.2468287618 45.4291517679 SOLV 3609 0.0000000000
|
|
11045 3810 TIP3 H1 18.0181903450 38.6480602463 45.0377132477 SOLV 3609 0.0000000000
|
|
11046 3810 TIP3 H2 17.9193708964 40.0226666025 45.6074519690 SOLV 3609 0.0000000000
|
|
11047 3811 TIP3 OH2 3.2262713324 38.3130163140 44.8661661685 SOLV 3610 0.0000000000
|
|
11048 3811 TIP3 H1 2.2779689248 38.2557342467 44.6104727988 SOLV 3610 0.0000000000
|
|
11049 3811 TIP3 H2 3.4938258716 37.3632208968 44.7351125079 SOLV 3610 0.0000000000
|
|
11050 3812 TIP3 OH2 1.9179733089 38.1282536762 40.2663160843 SOLV 3611 0.0000000000
|
|
11051 3812 TIP3 H1 2.4666123544 38.5865587453 39.6025862115 SOLV 3611 0.0000000000
|
|
11052 3812 TIP3 H2 1.9669319655 38.7574487741 41.0284148139 SOLV 3611 0.0000000000
|
|
11053 3813 TIP3 OH2 7.5414705737 37.9960581703 44.7763589739 SOLV 3612 0.0000000000
|
|
11054 3813 TIP3 H1 8.2188416402 38.5198376340 44.3208463304 SOLV 3612 0.0000000000
|
|
11055 3813 TIP3 H2 7.8251896913 38.0650889322 45.7062459461 SOLV 3612 0.0000000000
|
|
11056 3814 TIP3 OH2 12.8333536073 38.7068944440 46.5221926099 SOLV 3613 0.0000000000
|
|
11057 3814 TIP3 H1 13.0781619261 38.6042604989 45.5971651370 SOLV 3613 0.0000000000
|
|
11058 3814 TIP3 H2 12.4968101645 37.7855253318 46.7126264451 SOLV 3613 0.0000000000
|
|
11059 3815 TIP3 OH2 14.5821605599 38.7546116556 42.2239975377 SOLV 3614 0.0000000000
|
|
11060 3815 TIP3 H1 13.7510031415 39.2612571089 42.2752848106 SOLV 3614 0.0000000000
|
|
11061 3815 TIP3 H2 14.2529719141 37.8517485203 42.4584750089 SOLV 3614 0.0000000000
|
|
11062 3816 TIP3 OH2 3.7135377460 39.9451661729 38.9397082564 SOLV 3615 0.0000000000
|
|
11063 3816 TIP3 H1 4.2449422155 39.5287274038 38.2364533748 SOLV 3615 0.0000000000
|
|
11064 3816 TIP3 H2 4.4192760147 40.1823797578 39.5688228408 SOLV 3615 0.0000000000
|
|
11065 3817 TIP3 OH2 8.3481541122 40.8661179857 42.0556787367 SOLV 3616 0.0000000000
|
|
11066 3817 TIP3 H1 8.9134033498 40.2478488910 42.5714569300 SOLV 3616 0.0000000000
|
|
11067 3817 TIP3 H2 8.6229262076 41.7163349615 42.4604324736 SOLV 3616 0.0000000000
|
|
11068 3818 TIP3 OH2 31.0753674190 47.7601534605 44.6623839851 SOLV 3617 0.0000000000
|
|
11069 3818 TIP3 H1 30.5539284755 48.4946313654 44.9968684970 SOLV 3617 0.0000000000
|
|
11070 3818 TIP3 H2 30.5488502538 47.5017404639 43.8627217406 SOLV 3617 0.0000000000
|
|
11071 3819 TIP3 OH2 29.6036483256 46.6802650553 48.4541571221 SOLV 3618 0.0000000000
|
|
11072 3819 TIP3 H1 29.6043244756 46.2870283902 49.3623508208 SOLV 3618 0.0000000000
|
|
11073 3819 TIP3 H2 29.0649723666 46.0375867858 47.9555739224 SOLV 3618 0.0000000000
|
|
11074 3820 TIP3 OH2 22.3085510477 46.8258894856 49.3556362847 SOLV 3619 0.0000000000
|
|
11075 3820 TIP3 H1 21.8888696018 46.7518304441 50.2451164325 SOLV 3619 0.0000000000
|
|
11076 3820 TIP3 H2 23.0547867117 47.4041344445 49.6201773730 SOLV 3619 0.0000000000
|
|
11077 3821 TIP3 OH2 33.0232212333 49.2963243257 46.9973075936 SOLV 3620 0.0000000000
|
|
11078 3821 TIP3 H1 33.0194547286 48.5912397395 46.3498095841 SOLV 3620 0.0000000000
|
|
11079 3821 TIP3 H2 32.8342732417 48.7558094842 47.8021377806 SOLV 3620 0.0000000000
|
|
11080 3822 TIP3 OH2 19.6594359534 44.2965363750 43.1675232708 SOLV 3621 0.0000000000
|
|
11081 3822 TIP3 H1 19.6043982781 45.1896997131 43.5054310531 SOLV 3621 0.0000000000
|
|
11082 3822 TIP3 H2 19.1057214964 44.3250133642 42.3643920727 SOLV 3621 0.0000000000
|
|
11083 3823 TIP3 OH2 20.5010166284 46.7626471850 45.8492357761 SOLV 3622 0.0000000000
|
|
11084 3823 TIP3 H1 20.7107882268 45.9064751567 46.2962133674 SOLV 3622 0.0000000000
|
|
11085 3823 TIP3 H2 21.2464955621 47.3285805865 46.1561387957 SOLV 3622 0.0000000000
|
|
11086 3824 TIP3 OH2 28.2087912394 48.9848301909 48.8918013427 SOLV 3623 0.0000000000
|
|
11087 3824 TIP3 H1 28.7220376930 48.2367247956 48.5201138126 SOLV 3623 0.0000000000
|
|
11088 3824 TIP3 H2 28.6688219224 49.0759385973 49.7355301221 SOLV 3623 0.0000000000
|
|
11089 3825 TIP3 OH2 37.6294152439 41.0199832383 49.3759314356 SOLV 3624 0.0000000000
|
|
11090 3825 TIP3 H1 37.2455217562 41.7048726207 48.8157634001 SOLV 3624 0.0000000000
|
|
11091 3825 TIP3 H2 38.4068824883 40.7913343244 48.8353772717 SOLV 3624 0.0000000000
|
|
11092 3826 TIP3 OH2 31.3337515426 43.9295602352 49.3414637428 SOLV 3625 0.0000000000
|
|
11093 3826 TIP3 H1 31.4336631336 42.9827949887 49.1191423528 SOLV 3625 0.0000000000
|
|
11094 3826 TIP3 H2 31.0562574984 44.2611985367 48.4755701683 SOLV 3625 0.0000000000
|
|
11095 3827 TIP3 OH2 25.0015233911 41.4970913931 46.0392678718 SOLV 3626 0.0000000000
|
|
11096 3827 TIP3 H1 25.0415301682 42.3664795933 45.5804945613 SOLV 3626 0.0000000000
|
|
11097 3827 TIP3 H2 24.4272029363 41.0000013176 45.4290077939 SOLV 3626 0.0000000000
|
|
11098 3828 TIP3 OH2 32.5552307211 41.9740971232 44.3003455718 SOLV 3627 0.0000000000
|
|
11099 3828 TIP3 H1 32.9337585668 41.7713958236 45.1853181365 SOLV 3627 0.0000000000
|
|
11100 3828 TIP3 H2 33.2294731235 42.5572075351 43.9050336390 SOLV 3627 0.0000000000
|
|
11101 3829 TIP3 OH2 20.8857383649 44.1443362902 46.7327105218 SOLV 3628 0.0000000000
|
|
11102 3829 TIP3 H1 21.6170658035 43.6921823174 47.1776973502 SOLV 3628 0.0000000000
|
|
11103 3829 TIP3 H2 21.1541991450 43.9268937915 45.8119830989 SOLV 3628 0.0000000000
|
|
11104 3830 TIP3 OH2 26.0553504702 45.8158846768 46.2699137172 SOLV 3629 0.0000000000
|
|
11105 3830 TIP3 H1 26.9361038827 45.4239418721 46.4600952076 SOLV 3629 0.0000000000
|
|
11106 3830 TIP3 H2 25.6394192374 45.0704838869 45.7926837093 SOLV 3629 0.0000000000
|
|
11107 3831 TIP3 OH2 33.6394104701 41.5641494589 46.7035369307 SOLV 3630 0.0000000000
|
|
11108 3831 TIP3 H1 32.9415651198 41.2715699952 47.3361330906 SOLV 3630 0.0000000000
|
|
11109 3831 TIP3 H2 34.2179651803 42.0730584360 47.3050156773 SOLV 3630 0.0000000000
|
|
11110 3832 TIP3 OH2 22.9570660970 42.4807494674 47.7736136089 SOLV 3631 0.0000000000
|
|
11111 3832 TIP3 H1 23.4009912280 42.9786628544 48.4831724834 SOLV 3631 0.0000000000
|
|
11112 3832 TIP3 H2 23.7103320253 42.0406008920 47.3311956799 SOLV 3631 0.0000000000
|
|
11113 3833 TIP3 OH2 26.9895778701 37.7204658286 47.9138786326 SOLV 3632 0.0000000000
|
|
11114 3833 TIP3 H1 26.5718399227 36.8898318886 47.6152616987 SOLV 3632 0.0000000000
|
|
11115 3833 TIP3 H2 26.1792230316 38.2444986219 48.1173567474 SOLV 3632 0.0000000000
|
|
11116 3834 TIP3 OH2 29.6942570278 46.9042407794 42.4601476138 SOLV 3633 0.0000000000
|
|
11117 3834 TIP3 H1 29.0331809673 47.5648846634 42.1092627908 SOLV 3633 0.0000000000
|
|
11118 3834 TIP3 H2 30.3473686776 46.8800636901 41.7374786794 SOLV 3633 0.0000000000
|
|
11119 3835 TIP3 OH2 29.7010624617 45.8872739725 38.7231774458 SOLV 3634 0.0000000000
|
|
11120 3835 TIP3 H1 30.2930928891 46.1898010417 39.4372311579 SOLV 3634 0.0000000000
|
|
11121 3835 TIP3 H2 30.2518941636 45.1907365294 38.3322901096 SOLV 3634 0.0000000000
|
|
11122 3836 TIP3 OH2 33.0306381720 46.4953309692 43.3635581098 SOLV 3635 0.0000000000
|
|
11123 3836 TIP3 H1 32.3527321180 46.8629106987 43.9763762559 SOLV 3635 0.0000000000
|
|
11124 3836 TIP3 H2 33.7496903976 46.1780502918 43.9490019177 SOLV 3635 0.0000000000
|
|
11125 3837 TIP3 OH2 24.2935957032 47.5336188077 45.0237559532 SOLV 3636 0.0000000000
|
|
11126 3837 TIP3 H1 24.1841267946 47.1015475544 44.1444097932 SOLV 3636 0.0000000000
|
|
11127 3837 TIP3 H2 24.9938260705 46.9858441757 45.4375402744 SOLV 3636 0.0000000000
|
|
11128 3838 TIP3 OH2 25.7611736233 46.0856661937 48.8750027956 SOLV 3637 0.0000000000
|
|
11129 3838 TIP3 H1 25.7975009447 46.1122177133 47.8870676230 SOLV 3637 0.0000000000
|
|
11130 3838 TIP3 H2 25.4139890254 46.9892561780 49.0546934435 SOLV 3637 0.0000000000
|
|
11131 3839 TIP3 OH2 31.7424189093 46.4818787901 40.7475523760 SOLV 3638 0.0000000000
|
|
11132 3839 TIP3 H1 32.3703525798 46.7441195602 41.4554632831 SOLV 3638 0.0000000000
|
|
11133 3839 TIP3 H2 32.2782180226 46.7862237502 39.9783052156 SOLV 3638 0.0000000000
|
|
11134 3840 TIP3 OH2 35.6631481203 37.8630142483 41.0012115758 SOLV 3639 0.0000000000
|
|
11135 3840 TIP3 H1 34.7265737340 38.0560757561 41.2339171343 SOLV 3639 0.0000000000
|
|
11136 3840 TIP3 H2 35.8894197222 38.6738294831 40.4837337788 SOLV 3639 0.0000000000
|
|
11137 3841 TIP3 OH2 23.6309263396 46.5032529027 42.5294564178 SOLV 3640 0.0000000000
|
|
11138 3841 TIP3 H1 23.2534197305 47.3213407195 42.1364723375 SOLV 3640 0.0000000000
|
|
11139 3841 TIP3 H2 23.0294549415 45.8388461119 42.1809723392 SOLV 3640 0.0000000000
|
|
11140 3842 TIP3 OH2 24.9238291377 39.2597104550 48.6194459024 SOLV 3641 0.0000000000
|
|
11141 3842 TIP3 H1 24.0673781816 39.3950994211 48.1703559808 SOLV 3641 0.0000000000
|
|
11142 3842 TIP3 H2 25.0363546290 40.1057812938 49.0741022847 SOLV 3641 0.0000000000
|
|
11143 3843 TIP3 OH2 33.2269260259 47.3584729288 38.8150898465 SOLV 3642 0.0000000000
|
|
11144 3843 TIP3 H1 33.2470250297 47.3358183782 37.8461780166 SOLV 3642 0.0000000000
|
|
11145 3843 TIP3 H2 34.1627566884 47.5983157382 38.9820831259 SOLV 3642 0.0000000000
|
|
11146 3844 TIP3 OH2 28.9161334334 40.9992627482 39.3903862181 SOLV 3643 0.0000000000
|
|
11147 3844 TIP3 H1 28.3254762010 40.9520033339 40.1554435686 SOLV 3643 0.0000000000
|
|
11148 3844 TIP3 H2 28.4229724165 40.3828271584 38.7990689082 SOLV 3643 0.0000000000
|
|
11149 3845 TIP3 OH2 24.2371385723 44.1047060657 49.7325693475 SOLV 3644 0.0000000000
|
|
11150 3845 TIP3 H1 23.3829311516 44.5759535851 49.7368935055 SOLV 3644 0.0000000000
|
|
11151 3845 TIP3 H2 24.8342352663 44.7687163269 49.3247528146 SOLV 3644 0.0000000000
|
|
11152 3846 TIP3 OH2 24.8299335709 43.8620529634 44.7926832016 SOLV 3645 0.0000000000
|
|
11153 3846 TIP3 H1 23.8592799819 43.9271063548 44.6727621173 SOLV 3645 0.0000000000
|
|
11154 3846 TIP3 H2 25.1039843080 43.9949955436 43.8512794294 SOLV 3645 0.0000000000
|
|
11155 3847 TIP3 OH2 30.4512340279 44.4622300505 43.4340423965 SOLV 3646 0.0000000000
|
|
11156 3847 TIP3 H1 30.0450914099 45.2638882126 43.0322330073 SOLV 3646 0.0000000000
|
|
11157 3847 TIP3 H2 31.0072797102 44.1475570255 42.6947747655 SOLV 3646 0.0000000000
|
|
11158 3848 TIP3 OH2 30.9718651535 43.9181143409 46.1207575514 SOLV 3647 0.0000000000
|
|
11159 3848 TIP3 H1 30.7904311407 44.3896949970 45.2756352444 SOLV 3647 0.0000000000
|
|
11160 3848 TIP3 H2 31.3021705375 43.0963118631 45.7326360142 SOLV 3647 0.0000000000
|
|
11161 3849 TIP3 OH2 25.6431101647 41.5003430860 38.0768585485 SOLV 3648 0.0000000000
|
|
11162 3849 TIP3 H1 25.2808886224 41.2503893423 38.9597616108 SOLV 3648 0.0000000000
|
|
11163 3849 TIP3 H2 25.2558611441 42.3763793180 37.9428212178 SOLV 3648 0.0000000000
|
|
11164 3850 TIP3 OH2 19.0438706588 41.2405978763 45.3621669594 SOLV 3649 0.0000000000
|
|
11165 3850 TIP3 H1 19.8588947984 41.2224865266 45.9140731235 SOLV 3649 0.0000000000
|
|
11166 3850 TIP3 H2 19.3705160099 41.2157006541 44.4523004658 SOLV 3649 0.0000000000
|
|
11167 3851 TIP3 OH2 19.4182217141 41.9091157599 40.5523813379 SOLV 3650 0.0000000000
|
|
11168 3851 TIP3 H1 20.1461011246 42.4096919828 40.1156291592 SOLV 3650 0.0000000000
|
|
11169 3851 TIP3 H2 18.7612958441 42.6361221941 40.6180197522 SOLV 3650 0.0000000000
|
|
11170 3852 TIP3 OH2 27.7786232893 41.5523087322 45.4876075524 SOLV 3651 0.0000000000
|
|
11171 3852 TIP3 H1 26.9164096852 41.5711273262 45.9446763428 SOLV 3651 0.0000000000
|
|
11172 3852 TIP3 H2 28.3126779929 41.0645942991 46.1562525883 SOLV 3651 0.0000000000
|
|
11173 3853 TIP3 OH2 22.1337700841 43.3248227326 44.3828090519 SOLV 3652 0.0000000000
|
|
11174 3853 TIP3 H1 21.4166576850 43.5676447819 43.7526641896 SOLV 3652 0.0000000000
|
|
11175 3853 TIP3 H2 22.4024414221 42.4309462649 44.0743498584 SOLV 3652 0.0000000000
|
|
11176 3854 TIP3 OH2 25.3545075045 43.2187941738 42.0921251677 SOLV 3653 0.0000000000
|
|
11177 3854 TIP3 H1 26.3255918278 43.1911258590 42.1240910937 SOLV 3653 0.0000000000
|
|
11178 3854 TIP3 H2 25.1800359333 43.8582385333 41.3427668050 SOLV 3653 0.0000000000
|
|
11179 3855 TIP3 OH2 31.6356920335 41.3227566261 48.5642206652 SOLV 3654 0.0000000000
|
|
11180 3855 TIP3 H1 31.5027026139 40.7229968235 49.3193873034 SOLV 3654 0.0000000000
|
|
11181 3855 TIP3 H2 30.8693484374 41.0702142981 47.9974436387 SOLV 3654 0.0000000000
|
|
11182 3856 TIP3 OH2 24.8254452481 44.5191210520 39.8415688068 SOLV 3655 0.0000000000
|
|
11183 3856 TIP3 H1 24.3242075308 44.1062427228 39.1212218731 SOLV 3655 0.0000000000
|
|
11184 3856 TIP3 H2 25.5904092937 44.8245784600 39.2983185360 SOLV 3655 0.0000000000
|
|
11185 3857 TIP3 OH2 28.3612145059 44.4867050930 47.1841536923 SOLV 3656 0.0000000000
|
|
11186 3857 TIP3 H1 29.1476496901 43.9925997712 46.8763678880 SOLV 3656 0.0000000000
|
|
11187 3857 TIP3 H2 28.1190823673 43.9909641842 47.9949636532 SOLV 3656 0.0000000000
|
|
11188 3858 TIP3 OH2 22.9965929232 40.7425527457 44.1096653099 SOLV 3657 0.0000000000
|
|
11189 3858 TIP3 H1 22.5088534594 39.9267905766 44.4191307584 SOLV 3657 0.0000000000
|
|
11190 3858 TIP3 H2 23.4226478862 40.4006344560 43.3164773420 SOLV 3657 0.0000000000
|
|
11191 3859 TIP3 OH2 27.9189522369 42.9960424776 49.3838898913 SOLV 3658 0.0000000000
|
|
11192 3859 TIP3 H1 26.9692094312 42.8430280828 49.5102239729 SOLV 3658 0.0000000000
|
|
11193 3859 TIP3 H2 28.2717953209 42.4703827947 50.1369170294 SOLV 3658 0.0000000000
|
|
11194 3860 TIP3 OH2 27.9114342582 48.6185993204 41.5924759312 SOLV 3659 0.0000000000
|
|
11195 3860 TIP3 H1 27.1622606601 48.2563180054 41.0708464451 SOLV 3659 0.0000000000
|
|
11196 3860 TIP3 H2 27.4299449113 48.8126699637 42.4275442219 SOLV 3659 0.0000000000
|
|
11197 3861 TIP3 OH2 31.3378981401 41.5803176534 40.2561616224 SOLV 3660 0.0000000000
|
|
11198 3861 TIP3 H1 30.4195565733 41.4754233702 39.9175684326 SOLV 3660 0.0000000000
|
|
11199 3861 TIP3 H2 31.4547236811 42.5449340609 40.3527148825 SOLV 3660 0.0000000000
|
|
11200 3862 TIP3 OH2 32.1748583910 43.9104234960 41.2452102522 SOLV 3661 0.0000000000
|
|
11201 3862 TIP3 H1 33.0113343917 43.9154582341 41.7518320172 SOLV 3661 0.0000000000
|
|
11202 3862 TIP3 H2 32.0908870156 44.8325655926 40.9203466788 SOLV 3661 0.0000000000
|
|
11203 3863 TIP3 OH2 22.4366437212 48.3675179210 47.1403472717 SOLV 3662 0.0000000000
|
|
11204 3863 TIP3 H1 23.2030632597 48.0875632196 46.5913634946 SOLV 3662 0.0000000000
|
|
11205 3863 TIP3 H2 22.4995980703 47.7602215867 47.8964971247 SOLV 3662 0.0000000000
|
|
11206 3864 TIP3 OH2 36.6246915830 44.4044149309 41.0790359653 SOLV 3663 0.0000000000
|
|
11207 3864 TIP3 H1 36.0881904062 44.2207465340 40.2668905861 SOLV 3663 0.0000000000
|
|
11208 3864 TIP3 H2 36.9844550510 45.2778856570 40.7887822135 SOLV 3663 0.0000000000
|
|
11209 3865 TIP3 OH2 32.3473469224 47.1611299804 48.4908006375 SOLV 3664 0.0000000000
|
|
11210 3865 TIP3 H1 31.3939498970 46.9897178211 48.3031219287 SOLV 3664 0.0000000000
|
|
11211 3865 TIP3 H2 32.7811061972 46.4736127186 47.9422265118 SOLV 3664 0.0000000000
|
|
11212 3866 TIP3 OH2 21.1602912077 46.6400748208 39.4721338832 SOLV 3665 0.0000000000
|
|
11213 3866 TIP3 H1 21.5693451660 47.1739515733 40.1925316011 SOLV 3665 0.0000000000
|
|
11214 3866 TIP3 H2 20.1981552578 46.7280629032 39.6435117567 SOLV 3665 0.0000000000
|
|
11215 3867 TIP3 OH2 26.3222146172 48.9265618065 43.7040585906 SOLV 3666 0.0000000000
|
|
11216 3867 TIP3 H1 26.2456961479 49.8854720654 43.8660126055 SOLV 3666 0.0000000000
|
|
11217 3867 TIP3 H2 25.7419156379 48.5728160413 44.4105744883 SOLV 3666 0.0000000000
|
|
11218 3868 TIP3 OH2 33.6264831145 48.7158812418 41.5762645209 SOLV 3667 0.0000000000
|
|
11219 3868 TIP3 H1 33.4550314927 48.0000301806 42.2143544905 SOLV 3667 0.0000000000
|
|
11220 3868 TIP3 H2 34.6058637810 48.6898524275 41.5228927490 SOLV 3667 0.0000000000
|
|
11221 3869 TIP3 OH2 22.4874720098 48.4425372487 40.9490500583 SOLV 3668 0.0000000000
|
|
11222 3869 TIP3 H1 21.8028589681 49.1485659166 41.0350633703 SOLV 3668 0.0000000000
|
|
11223 3869 TIP3 H2 23.0431736628 48.8437442589 40.2531359705 SOLV 3668 0.0000000000
|
|
11224 3870 TIP3 OH2 31.0491426850 40.5157374621 42.6788584696 SOLV 3669 0.0000000000
|
|
11225 3870 TIP3 H1 31.2559046981 40.8562548578 41.7729750712 SOLV 3669 0.0000000000
|
|
11226 3870 TIP3 H2 31.5770828247 41.1311202240 43.2378918109 SOLV 3669 0.0000000000
|
|
11227 3871 TIP3 OH2 27.9538777540 42.7911517222 43.0518019321 SOLV 3670 0.0000000000
|
|
11228 3871 TIP3 H1 28.6251387164 43.4811902018 43.2260195799 SOLV 3670 0.0000000000
|
|
11229 3871 TIP3 H2 27.8327956622 42.3798338963 43.9384220675 SOLV 3670 0.0000000000
|
|
11230 3872 TIP3 OH2 28.8265409193 39.4700766034 43.7921935462 SOLV 3671 0.0000000000
|
|
11231 3872 TIP3 H1 28.6279365052 40.2231972845 44.3721751528 SOLV 3671 0.0000000000
|
|
11232 3872 TIP3 H2 29.6664219659 39.7690960256 43.3811041869 SOLV 3671 0.0000000000
|
|
11233 3873 TIP3 OH2 24.9397452189 40.9870790478 40.5718694271 SOLV 3672 0.0000000000
|
|
11234 3873 TIP3 H1 24.6750359876 41.6691874009 41.2246818008 SOLV 3672 0.0000000000
|
|
11235 3873 TIP3 H2 25.7951010965 40.6751582478 40.9672973658 SOLV 3672 0.0000000000
|
|
11236 3874 TIP3 OH2 33.3436026372 45.1183646850 46.9774630706 SOLV 3673 0.0000000000
|
|
11237 3874 TIP3 H1 32.5897110313 44.5293219202 46.7799985243 SOLV 3673 0.0000000000
|
|
11238 3874 TIP3 H2 33.9291493062 44.5381391993 47.5228881377 SOLV 3673 0.0000000000
|
|
11239 3875 TIP3 OH2 20.8868281364 43.9745702010 39.1434828071 SOLV 3674 0.0000000000
|
|
11240 3875 TIP3 H1 21.2041270610 44.8755134781 39.3786458250 SOLV 3674 0.0000000000
|
|
11241 3875 TIP3 H2 20.6128897798 44.0896049342 38.2207258460 SOLV 3674 0.0000000000
|
|
11242 3876 TIP3 OH2 22.4349526196 38.7978937318 47.5643395640 SOLV 3675 0.0000000000
|
|
11243 3876 TIP3 H1 22.2898287502 38.7523029840 46.5946353662 SOLV 3675 0.0000000000
|
|
11244 3876 TIP3 H2 22.1142899653 37.9220574308 47.8464798117 SOLV 3675 0.0000000000
|
|
11245 3877 TIP3 OH2 24.6190600258 49.0664826718 38.6858093754 SOLV 3676 0.0000000000
|
|
11246 3877 TIP3 H1 25.0131247666 48.5195147156 39.4117036711 SOLV 3676 0.0000000000
|
|
11247 3877 TIP3 H2 25.2325919857 48.8126018250 37.9660803469 SOLV 3676 0.0000000000
|
|
11248 3878 TIP3 OH2 25.7964571642 47.3220715386 40.4295886166 SOLV 3677 0.0000000000
|
|
11249 3878 TIP3 H1 25.1595222277 46.9001464861 41.0368962886 SOLV 3677 0.0000000000
|
|
11250 3878 TIP3 H2 26.1644546379 46.5458033900 39.9571963393 SOLV 3677 0.0000000000
|
|
11251 3879 TIP3 OH2 26.9935771890 45.4814923665 38.6709696153 SOLV 3678 0.0000000000
|
|
11252 3879 TIP3 H1 27.0058381942 45.6234542359 37.6967922041 SOLV 3678 0.0000000000
|
|
11253 3879 TIP3 H2 27.9567051907 45.5408686512 38.8619025326 SOLV 3678 0.0000000000
|
|
11254 3880 TIP3 OH2 35.7930675010 48.2109672850 38.4989521664 SOLV 3679 0.0000000000
|
|
11255 3880 TIP3 H1 35.7016989173 48.2171461279 37.5211544593 SOLV 3679 0.0000000000
|
|
11256 3880 TIP3 H2 35.8813975448 49.1636201321 38.7159164289 SOLV 3679 0.0000000000
|
|
11257 3881 TIP3 OH2 36.3796984412 48.7581958598 42.0595012828 SOLV 3680 0.0000000000
|
|
11258 3881 TIP3 H1 37.1380885603 49.3620456400 42.0361042765 SOLV 3680 0.0000000000
|
|
11259 3881 TIP3 H2 36.4867697238 48.2787180037 42.9007251056 SOLV 3680 0.0000000000
|
|
11260 3882 TIP3 OH2 37.0293962527 46.9688465428 44.2333487196 SOLV 3681 0.0000000000
|
|
11261 3882 TIP3 H1 36.3757208411 46.4152048975 44.7173702383 SOLV 3681 0.0000000000
|
|
11262 3882 TIP3 H2 37.7750219454 47.0094749401 44.8788527522 SOLV 3681 0.0000000000
|
|
11263 3883 TIP3 OH2 36.9097472592 0.0885413388 49.3059236461 SOLV 3682 0.0000000000
|
|
11264 3883 TIP3 H1 37.7509616866 0.3947453917 48.9837466473 SOLV 3682 0.0000000000
|
|
11265 3883 TIP3 H2 36.2820689687 0.7619956897 49.0136695737 SOLV 3682 0.0000000000
|
|
11266 3884 TIP3 OH2 37.2941012598 46.8645245080 40.2069523065 SOLV 3683 0.0000000000
|
|
11267 3884 TIP3 H1 36.6271680288 47.2108792910 39.5839011460 SOLV 3683 0.0000000000
|
|
11268 3884 TIP3 H2 37.1110132752 47.4511687292 40.9660768082 SOLV 3683 0.0000000000
|
|
11269 3885 TIP3 OH2 35.5885262671 43.8944350303 38.6227120038 SOLV 3684 0.0000000000
|
|
11270 3885 TIP3 H1 35.6788905965 44.2910404347 37.7425913061 SOLV 3684 0.0000000000
|
|
11271 3885 TIP3 H2 35.5520014716 42.9597043977 38.3707824403 SOLV 3684 0.0000000000
|
|
11272 3886 TIP3 OH2 35.0378942098 45.2806953530 44.8097473708 SOLV 3685 0.0000000000
|
|
11273 3886 TIP3 H1 35.0472107476 44.4323838277 44.3348817119 SOLV 3685 0.0000000000
|
|
11274 3886 TIP3 H2 34.5399386775 45.1102508614 45.6430149077 SOLV 3685 0.0000000000
|
|
11275 3887 TIP3 OH2 19.5936662576 46.9882364374 48.6264733459 SOLV 3686 0.0000000000
|
|
11276 3887 TIP3 H1 19.6762972825 47.0581217661 47.6689560650 SOLV 3686 0.0000000000
|
|
11277 3887 TIP3 H2 20.5273914140 47.1007635026 48.9028623121 SOLV 3686 0.0000000000
|
|
11278 3888 TIP3 OH2 34.9907903424 41.2456505076 37.4896687894 SOLV 3687 0.0000000000
|
|
11279 3888 TIP3 H1 35.3676186951 40.8103232814 38.2656284902 SOLV 3687 0.0000000000
|
|
11280 3888 TIP3 H2 34.0247770509 41.1356265358 37.6177549638 SOLV 3687 0.0000000000
|
|
11281 3889 TIP3 OH2 34.6288315991 43.2018890081 42.8718897418 SOLV 3688 0.0000000000
|
|
11282 3889 TIP3 H1 34.9127197891 42.2614361846 42.9161025389 SOLV 3688 0.0000000000
|
|
11283 3889 TIP3 H2 35.3829461473 43.5858338447 42.3903755969 SOLV 3688 0.0000000000
|
|
11284 3890 TIP3 OH2 35.0078375134 43.4130495050 48.2104089245 SOLV 3689 0.0000000000
|
|
11285 3890 TIP3 H1 35.9456614900 43.7214281238 48.2547413823 SOLV 3689 0.0000000000
|
|
11286 3890 TIP3 H2 35.0124163425 42.7740105153 48.9552036293 SOLV 3689 0.0000000000
|
|
11287 3891 TIP3 OH2 35.4167885428 40.6073976021 42.8930675804 SOLV 3690 0.0000000000
|
|
11288 3891 TIP3 H1 35.5164837417 40.1505047184 43.7478709521 SOLV 3690 0.0000000000
|
|
11289 3891 TIP3 H2 34.7978211150 40.0154468398 42.4291735258 SOLV 3690 0.0000000000
|
|
11290 3892 TIP3 OH2 20.7441834825 40.9336066577 47.3953482184 SOLV 3691 0.0000000000
|
|
11291 3892 TIP3 H1 21.3239014515 40.1626072510 47.5737572236 SOLV 3691 0.0000000000
|
|
11292 3892 TIP3 H2 21.3842236940 41.6569272033 47.5258979926 SOLV 3691 0.0000000000
|
|
11293 3893 TIP3 OH2 18.8035861357 44.1639842248 48.5159184150 SOLV 3692 0.0000000000
|
|
11294 3893 TIP3 H1 19.3675477336 44.0128311227 47.7298358017 SOLV 3692 0.0000000000
|
|
11295 3893 TIP3 H2 18.8869042377 45.1319926729 48.6092779122 SOLV 3692 0.0000000000
|
|
11296 3894 TIP3 OH2 36.4219076772 40.0072945913 39.5989014069 SOLV 3693 0.0000000000
|
|
11297 3894 TIP3 H1 36.9790552639 39.6046997534 38.8980603322 SOLV 3693 0.0000000000
|
|
11298 3894 TIP3 H2 37.0519290408 40.6376269820 39.9993812083 SOLV 3693 0.0000000000
|
|
11299 3895 TIP3 OH2 19.3436954487 40.1607394368 42.5499776532 SOLV 3694 0.0000000000
|
|
11300 3895 TIP3 H1 18.3661286121 40.2523114205 42.6226050695 SOLV 3694 0.0000000000
|
|
11301 3895 TIP3 H2 19.5036201818 40.8441502292 41.8657464117 SOLV 3694 0.0000000000
|
|
11302 3896 TIP3 OH2 29.5364366983 40.0800990357 47.1667028191 SOLV 3695 0.0000000000
|
|
11303 3896 TIP3 H1 29.3542444457 39.3444183732 47.7883109570 SOLV 3695 0.0000000000
|
|
11304 3896 TIP3 H2 30.2065331155 39.6550399232 46.5898754895 SOLV 3695 0.0000000000
|
|
11305 3897 TIP3 OH2 34.4917792251 37.8880522490 46.8307183958 SOLV 3696 0.0000000000
|
|
11306 3897 TIP3 H1 35.0228005055 38.5585402495 46.3295689027 SOLV 3696 0.0000000000
|
|
11307 3897 TIP3 H2 33.6684065558 38.3566562785 47.0398447426 SOLV 3696 0.0000000000
|
|
11308 3898 TIP3 OH2 36.2295963970 39.0863766710 45.2414331053 SOLV 3697 0.0000000000
|
|
11309 3898 TIP3 H1 36.9167389968 38.4592529152 44.9192315342 SOLV 3697 0.0000000000
|
|
11310 3898 TIP3 H2 36.8018557441 39.8642367586 45.4539422497 SOLV 3697 0.0000000000
|
|
11311 3899 TIP3 OH2 21.8925784493 38.4275971970 44.8893899451 SOLV 3698 0.0000000000
|
|
11312 3899 TIP3 H1 20.9655339480 38.3113130477 44.5929282887 SOLV 3698 0.0000000000
|
|
11313 3899 TIP3 H2 22.2324425316 37.5137564704 44.7730732042 SOLV 3698 0.0000000000
|
|
11314 3900 TIP3 OH2 20.8964656755 38.4680815328 41.0281708206 SOLV 3699 0.0000000000
|
|
11315 3900 TIP3 H1 21.4432530173 39.0944562768 40.5338897026 SOLV 3699 0.0000000000
|
|
11316 3900 TIP3 H2 20.3643949746 39.0545599469 41.6011536686 SOLV 3699 0.0000000000
|
|
11317 3901 TIP3 OH2 26.3371659850 38.0539242403 44.9463988861 SOLV 3700 0.0000000000
|
|
11318 3901 TIP3 H1 27.0048111934 38.3470206846 44.3163319441 SOLV 3700 0.0000000000
|
|
11319 3901 TIP3 H2 26.7859464727 38.2338547444 45.7863779724 SOLV 3700 0.0000000000
|
|
11320 3902 TIP3 OH2 31.6813271413 38.8149312533 46.1159033192 SOLV 3701 0.0000000000
|
|
11321 3902 TIP3 H1 32.0037270289 38.7737611144 45.2112250808 SOLV 3701 0.0000000000
|
|
11322 3902 TIP3 H2 31.4207093416 37.8721665962 46.2743880562 SOLV 3701 0.0000000000
|
|
11323 3903 TIP3 OH2 33.2762887893 38.7919555344 42.1996162100 SOLV 3702 0.0000000000
|
|
11324 3903 TIP3 H1 32.4824943302 39.3384221181 42.3434256238 SOLV 3702 0.0000000000
|
|
11325 3903 TIP3 H2 32.9552630717 37.8942575395 42.4226271856 SOLV 3702 0.0000000000
|
|
11326 3904 TIP3 OH2 22.7081845059 40.2837474307 39.2385275047 SOLV 3703 0.0000000000
|
|
11327 3904 TIP3 H1 22.8475576428 39.4803992344 38.7115849175 SOLV 3703 0.0000000000
|
|
11328 3904 TIP3 H2 23.5834839161 40.3479296097 39.6598940454 SOLV 3703 0.0000000000
|
|
11329 3905 TIP3 OH2 27.3953340613 40.6192127696 41.5856630437 SOLV 3704 0.0000000000
|
|
11330 3905 TIP3 H1 27.7509103807 40.0262514216 42.2705937347 SOLV 3704 0.0000000000
|
|
11331 3905 TIP3 H2 27.6466244724 41.4831003452 41.9885135707 SOLV 3704 0.0000000000
|
|
11332 3906 TIP3 OH2 49.4977733290 47.3102514107 44.0297133483 SOLV 3705 0.0000000000
|
|
11333 3906 TIP3 H1 50.1058664528 47.4805092633 44.7699299253 SOLV 3705 0.0000000000
|
|
11334 3906 TIP3 H2 48.7953095249 47.9719448896 44.1667497358 SOLV 3705 0.0000000000
|
|
11335 3907 TIP3 OH2 48.1649747639 46.8875688290 48.3528504954 SOLV 3706 0.0000000000
|
|
11336 3907 TIP3 H1 49.0960635065 46.6764370414 48.4737650872 SOLV 3706 0.0000000000
|
|
11337 3907 TIP3 H2 47.8150234634 46.1312317753 47.8335636226 SOLV 3706 0.0000000000
|
|
11338 3908 TIP3 OH2 41.2884835669 46.7923055783 -0.4964419713 SOLV 3707 0.0000000000
|
|
11339 3908 TIP3 H1 40.7430770695 46.7486413116 0.3277983844 SOLV 3707 0.0000000000
|
|
11340 3908 TIP3 H2 41.9037030437 47.5071792215 -0.2366691425 SOLV 3707 0.0000000000
|
|
11341 3909 TIP3 OH2 38.5625440335 44.2386309545 43.1657207574 SOLV 3708 0.0000000000
|
|
11342 3909 TIP3 H1 38.5378270621 45.1365867607 43.5156937974 SOLV 3708 0.0000000000
|
|
11343 3909 TIP3 H2 37.9221102724 44.2904933955 42.4346156542 SOLV 3708 0.0000000000
|
|
11344 3910 TIP3 OH2 39.2974615461 46.8978322686 45.8709121931 SOLV 3709 0.0000000000
|
|
11345 3910 TIP3 H1 39.5519347757 46.0422276374 46.2600728932 SOLV 3709 0.0000000000
|
|
11346 3910 TIP3 H2 40.0356041552 47.4614329372 46.1705311981 SOLV 3709 0.0000000000
|
|
11347 3911 TIP3 OH2 47.2595911937 49.4053508412 49.0251262255 SOLV 3710 0.0000000000
|
|
11348 3911 TIP3 H1 47.5204631399 48.5590649166 48.5915701003 SOLV 3710 0.0000000000
|
|
11349 3911 TIP3 H2 47.5679287896 49.1839978734 49.9115525061 SOLV 3710 0.0000000000
|
|
11350 3912 TIP3 OH2 43.8041600243 41.5102843052 46.0043548620 SOLV 3711 0.0000000000
|
|
11351 3912 TIP3 H1 43.8290641611 42.4106001306 45.6022226330 SOLV 3711 0.0000000000
|
|
11352 3912 TIP3 H2 43.1169822084 41.1075236644 45.4355423585 SOLV 3711 0.0000000000
|
|
11353 3913 TIP3 OH2 39.7621161768 44.2978618221 46.7439983431 SOLV 3712 0.0000000000
|
|
11354 3913 TIP3 H1 40.4854189160 43.8236933183 47.1952018226 SOLV 3712 0.0000000000
|
|
11355 3913 TIP3 H2 39.9874587093 43.9973990212 45.8328560833 SOLV 3712 0.0000000000
|
|
11356 3914 TIP3 OH2 45.0579021397 45.7770581689 46.2005129675 SOLV 3713 0.0000000000
|
|
11357 3914 TIP3 H1 45.8996437191 45.3289449596 46.4398091197 SOLV 3713 0.0000000000
|
|
11358 3914 TIP3 H2 44.5547927319 45.0320948045 45.8116055274 SOLV 3713 0.0000000000
|
|
11359 3915 TIP3 OH2 41.8934180291 42.6030593152 47.6669821711 SOLV 3714 0.0000000000
|
|
11360 3915 TIP3 H1 42.2449440566 43.0456268544 48.4686099387 SOLV 3714 0.0000000000
|
|
11361 3915 TIP3 H2 42.6650864317 42.0900876256 47.3448850635 SOLV 3714 0.0000000000
|
|
11362 3916 TIP3 OH2 45.8646862977 38.1152517624 47.6090668522 SOLV 3715 0.0000000000
|
|
11363 3916 TIP3 H1 45.6693891662 37.1784560277 47.4003550673 SOLV 3715 0.0000000000
|
|
11364 3916 TIP3 H2 45.0000219311 38.3778685959 48.0272086021 SOLV 3715 0.0000000000
|
|
11365 3917 TIP3 OH2 48.6885575463 46.9620391806 40.9810339051 SOLV 3716 0.0000000000
|
|
11366 3917 TIP3 H1 47.9001419664 47.5484452619 41.1068104377 SOLV 3716 0.0000000000
|
|
11367 3917 TIP3 H2 49.1949998332 47.2256338405 41.7714999272 SOLV 3716 0.0000000000
|
|
11368 3918 TIP3 OH2 48.3640121047 45.6168335866 38.7591175934 SOLV 3717 0.0000000000
|
|
11369 3918 TIP3 H1 48.4949170000 46.2406665197 39.5166477962 SOLV 3717 0.0000000000
|
|
11370 3918 TIP3 H2 48.8816408853 44.8676654864 39.0835836422 SOLV 3717 0.0000000000
|
|
11371 3919 TIP3 OH2 43.2179493584 47.4470038548 45.0365945218 SOLV 3718 0.0000000000
|
|
11372 3919 TIP3 H1 42.9805125019 47.0480667517 44.1682040951 SOLV 3718 0.0000000000
|
|
11373 3919 TIP3 H2 43.9763535030 46.8955799105 45.3397534224 SOLV 3718 0.0000000000
|
|
11374 3920 TIP3 OH2 44.5226068329 46.1326356876 48.7901761745 SOLV 3719 0.0000000000
|
|
11375 3920 TIP3 H1 44.6742944342 46.2038827717 47.8230698294 SOLV 3719 0.0000000000
|
|
11376 3920 TIP3 H2 44.1524160525 47.0231584792 49.0014178913 SOLV 3719 0.0000000000
|
|
11377 3921 TIP3 OH2 42.6306981942 46.5400259242 42.4014436931 SOLV 3720 0.0000000000
|
|
11378 3921 TIP3 H1 42.2859860056 47.3619012707 42.0203111514 SOLV 3720 0.0000000000
|
|
11379 3921 TIP3 H2 41.9277352718 45.9135558518 42.1587557751 SOLV 3720 0.0000000000
|
|
11380 3922 TIP3 OH2 43.5495202926 39.0242408307 48.6073308536 SOLV 3721 0.0000000000
|
|
11381 3922 TIP3 H1 42.7309668981 39.2139050610 48.0980681086 SOLV 3721 0.0000000000
|
|
11382 3922 TIP3 H2 43.6700935361 39.8656134628 49.0931568936 SOLV 3721 0.0000000000
|
|
11383 3923 TIP3 OH2 47.8056910514 40.9301867799 39.4011505996 SOLV 3722 0.0000000000
|
|
11384 3923 TIP3 H1 47.1742869304 40.9434398839 40.1361954183 SOLV 3722 0.0000000000
|
|
11385 3923 TIP3 H2 47.2957998686 40.4095207077 38.7657573517 SOLV 3722 0.0000000000
|
|
11386 3924 TIP3 OH2 42.9886746922 44.1650400258 49.7142658930 SOLV 3723 0.0000000000
|
|
11387 3924 TIP3 H1 42.2538917851 44.7940054454 49.6739846823 SOLV 3723 0.0000000000
|
|
11388 3924 TIP3 H2 43.7146239718 44.7257039571 49.3494859626 SOLV 3723 0.0000000000
|
|
11389 3925 TIP3 OH2 43.4156504515 43.8770084310 44.8687257982 SOLV 3724 0.0000000000
|
|
11390 3925 TIP3 H1 42.4419952874 43.8640523559 44.7590803198 SOLV 3724 0.0000000000
|
|
11391 3925 TIP3 H2 43.6828701498 43.8675109176 43.9345460465 SOLV 3724 0.0000000000
|
|
11392 3926 TIP3 OH2 48.2715773607 44.4904666007 42.6250304811 SOLV 3725 0.0000000000
|
|
11393 3926 TIP3 H1 48.0672551622 45.3045553611 42.1329886013 SOLV 3725 0.0000000000
|
|
11394 3926 TIP3 H2 49.2196097542 44.6054730249 42.7690479518 SOLV 3725 0.0000000000
|
|
11395 3927 TIP3 OH2 44.7726766427 41.6308112900 38.2319332666 SOLV 3726 0.0000000000
|
|
11396 3927 TIP3 H1 44.3725623493 41.3251975153 39.0760652132 SOLV 3726 0.0000000000
|
|
11397 3927 TIP3 H2 44.1078304011 42.2745177476 37.9355752332 SOLV 3726 0.0000000000
|
|
11398 3928 TIP3 OH2 37.8622462828 41.1402307968 45.5123242382 SOLV 3727 0.0000000000
|
|
11399 3928 TIP3 H1 38.6039677857 41.1856321933 46.1655942415 SOLV 3727 0.0000000000
|
|
11400 3928 TIP3 H2 38.2804109512 41.3887025848 44.6879824639 SOLV 3727 0.0000000000
|
|
11401 3929 TIP3 OH2 38.0773417222 42.0186336158 40.6008637756 SOLV 3728 0.0000000000
|
|
11402 3929 TIP3 H1 38.8350209124 42.4140196565 40.1402883525 SOLV 3728 0.0000000000
|
|
11403 3929 TIP3 H2 37.5085052139 42.8054873523 40.6884714821 SOLV 3728 0.0000000000
|
|
11404 3930 TIP3 OH2 46.4633582701 41.8434917870 45.5637474326 SOLV 3729 0.0000000000
|
|
11405 3930 TIP3 H1 45.5769280184 41.6055440536 45.9100328444 SOLV 3729 0.0000000000
|
|
11406 3930 TIP3 H2 46.9930093992 41.0775690354 45.8919550803 SOLV 3729 0.0000000000
|
|
11407 3931 TIP3 OH2 40.7438703535 43.2984439094 44.4660758473 SOLV 3730 0.0000000000
|
|
11408 3931 TIP3 H1 40.0794809637 43.6087520428 43.8108297293 SOLV 3730 0.0000000000
|
|
11409 3931 TIP3 H2 41.0992171577 42.4734449437 44.0551713294 SOLV 3730 0.0000000000
|
|
11410 3932 TIP3 OH2 43.7750304721 43.2952399551 42.0175179436 SOLV 3731 0.0000000000
|
|
11411 3932 TIP3 H1 44.7394114855 43.2200457772 42.1392339949 SOLV 3731 0.0000000000
|
|
11412 3932 TIP3 H2 43.7001890328 43.8533834355 41.2118968452 SOLV 3731 0.0000000000
|
|
11413 3933 TIP3 OH2 43.4567514905 44.4082742090 39.5266249086 SOLV 3732 0.0000000000
|
|
11414 3933 TIP3 H1 43.0429912499 44.0044120079 38.7317054114 SOLV 3732 0.0000000000
|
|
11415 3933 TIP3 H2 44.2871619267 44.7262041652 39.1124330428 SOLV 3732 0.0000000000
|
|
11416 3934 TIP3 OH2 47.2625038716 44.3273058007 47.0026282490 SOLV 3733 0.0000000000
|
|
11417 3934 TIP3 H1 47.2210588352 43.4936162684 46.5052723213 SOLV 3733 0.0000000000
|
|
11418 3934 TIP3 H2 47.2047632949 43.9912646347 47.9182546926 SOLV 3733 0.0000000000
|
|
11419 3935 TIP3 OH2 41.8460207896 40.8304569422 44.0659908184 SOLV 3734 0.0000000000
|
|
11420 3935 TIP3 H1 41.3398684663 40.0524710182 44.3994997838 SOLV 3734 0.0000000000
|
|
11421 3935 TIP3 H2 42.3481517359 40.4159314603 43.3608102955 SOLV 3734 0.0000000000
|
|
11422 3936 TIP3 OH2 46.5808947247 43.1837877063 49.5269988422 SOLV 3735 0.0000000000
|
|
11423 3936 TIP3 H1 45.6537376969 43.0112545823 49.7189057740 SOLV 3735 0.0000000000
|
|
11424 3936 TIP3 H2 47.0201529394 42.5537236159 50.1473691762 SOLV 3735 0.0000000000
|
|
11425 3937 TIP3 OH2 46.6833623812 48.5846279105 41.5512815249 SOLV 3736 0.0000000000
|
|
11426 3937 TIP3 H1 45.8834899081 48.1763960893 41.1387224607 SOLV 3736 0.0000000000
|
|
11427 3937 TIP3 H2 46.2639678007 49.0196846628 42.3322521588 SOLV 3736 0.0000000000
|
|
11428 3938 TIP3 OH2 41.3035875248 48.2177807323 47.1621009843 SOLV 3737 0.0000000000
|
|
11429 3938 TIP3 H1 42.0904398707 48.0165758324 46.6186633109 SOLV 3737 0.0000000000
|
|
11430 3938 TIP3 H2 41.4223260086 47.6374937709 47.9448039863 SOLV 3737 0.0000000000
|
|
11431 3939 TIP3 OH2 39.9424084795 46.5463803571 39.4882915950 SOLV 3738 0.0000000000
|
|
11432 3939 TIP3 H1 40.4007937140 47.1209900742 40.1374452961 SOLV 3738 0.0000000000
|
|
11433 3939 TIP3 H2 38.9863414669 46.7305673444 39.6343376170 SOLV 3738 0.0000000000
|
|
11434 3940 TIP3 OH2 45.2053538126 48.9524998130 43.7653050724 SOLV 3739 0.0000000000
|
|
11435 3940 TIP3 H1 45.1034999517 49.9025195185 43.9642970791 SOLV 3739 0.0000000000
|
|
11436 3940 TIP3 H2 44.7214731524 48.5323456909 44.5009662529 SOLV 3739 0.0000000000
|
|
11437 3941 TIP3 OH2 41.3089205775 48.4547307291 40.7948358510 SOLV 3740 0.0000000000
|
|
11438 3941 TIP3 H1 40.6607865615 49.1873737024 40.8994150330 SOLV 3740 0.0000000000
|
|
11439 3941 TIP3 H2 41.9231309201 48.8522260525 40.1498044537 SOLV 3740 0.0000000000
|
|
11440 3942 TIP3 OH2 49.0068658570 41.1569812629 42.4556772246 SOLV 3741 0.0000000000
|
|
11441 3942 TIP3 H1 48.8325202941 41.3978408380 41.5250802167 SOLV 3741 0.0000000000
|
|
11442 3942 TIP3 H2 49.3842329439 41.9741457946 42.8183481165 SOLV 3741 0.0000000000
|
|
11443 3943 TIP3 OH2 46.3000214611 42.7213662995 43.0170766824 SOLV 3742 0.0000000000
|
|
11444 3943 TIP3 H1 46.9749536217 43.4396026127 42.9395391441 SOLV 3742 0.0000000000
|
|
11445 3943 TIP3 H2 46.3177718179 42.5329158259 43.9870805519 SOLV 3742 0.0000000000
|
|
11446 3944 TIP3 OH2 47.4316607935 39.2984762615 43.7395475729 SOLV 3743 0.0000000000
|
|
11447 3944 TIP3 H1 47.7056858172 39.3318042050 44.6841029992 SOLV 3743 0.0000000000
|
|
11448 3944 TIP3 H2 48.0307411091 40.0019469181 43.3818421976 SOLV 3743 0.0000000000
|
|
11449 3945 TIP3 OH2 43.5919863917 40.9089356309 40.5364692709 SOLV 3744 0.0000000000
|
|
11450 3945 TIP3 H1 43.3851349584 41.6497901506 41.1554187737 SOLV 3744 0.0000000000
|
|
11451 3945 TIP3 H2 44.4855667755 40.6627647588 40.8575779377 SOLV 3744 0.0000000000
|
|
11452 3946 TIP3 OH2 39.7705127467 43.8156071321 39.1334243421 SOLV 3745 0.0000000000
|
|
11453 3946 TIP3 H1 40.0930647730 44.7176653367 39.3508215371 SOLV 3745 0.0000000000
|
|
11454 3946 TIP3 H2 39.4373583204 43.9483714570 38.2431811461 SOLV 3745 0.0000000000
|
|
11455 3947 TIP3 OH2 41.1536885071 38.8978741439 47.5022939012 SOLV 3746 0.0000000000
|
|
11456 3947 TIP3 H1 41.0634444435 38.8413469405 46.5263629531 SOLV 3746 0.0000000000
|
|
11457 3947 TIP3 H2 41.0047221766 37.9689949636 47.7754975467 SOLV 3746 0.0000000000
|
|
11458 3948 TIP3 OH2 43.5054232698 49.1597973386 38.9655085783 SOLV 3747 0.0000000000
|
|
11459 3948 TIP3 H1 43.8651385181 48.6460692705 39.7199357803 SOLV 3747 0.0000000000
|
|
11460 3948 TIP3 H2 44.1448752365 48.8183397357 38.2972764998 SOLV 3747 0.0000000000
|
|
11461 3949 TIP3 OH2 44.5119886220 47.2370231377 40.5064529667 SOLV 3748 0.0000000000
|
|
11462 3949 TIP3 H1 43.9113203808 46.7739288168 41.1383451703 SOLV 3748 0.0000000000
|
|
11463 3949 TIP3 H2 44.6517274239 46.5260283010 39.8561699689 SOLV 3748 0.0000000000
|
|
11464 3950 TIP3 OH2 45.7327166387 45.4554963349 38.4832806104 SOLV 3749 0.0000000000
|
|
11465 3950 TIP3 H1 45.7003585926 45.8490890874 37.5930409092 SOLV 3749 0.0000000000
|
|
11466 3950 TIP3 H2 46.7058791600 45.4199829855 38.6157859639 SOLV 3749 0.0000000000
|
|
11467 3951 TIP3 OH2 38.5972260116 46.9114018489 48.7467689027 SOLV 3750 0.0000000000
|
|
11468 3951 TIP3 H1 38.6039679786 46.9867053779 47.7827028682 SOLV 3750 0.0000000000
|
|
11469 3951 TIP3 H2 39.5427635362 47.0134559680 48.9509401403 SOLV 3750 0.0000000000
|
|
11470 3952 TIP3 OH2 39.5579205621 41.0515806203 47.5467392101 SOLV 3751 0.0000000000
|
|
11471 3952 TIP3 H1 40.1509833675 40.2585118812 47.5942330032 SOLV 3751 0.0000000000
|
|
11472 3952 TIP3 H2 40.2109655292 41.7660713220 47.5304639368 SOLV 3751 0.0000000000
|
|
11473 3953 TIP3 OH2 37.5395759032 44.1669007871 48.3240098379 SOLV 3752 0.0000000000
|
|
11474 3953 TIP3 H1 38.2598080540 44.0326132835 47.6668902482 SOLV 3752 0.0000000000
|
|
11475 3953 TIP3 H2 37.7050717596 45.0881923777 48.5761440613 SOLV 3752 0.0000000000
|
|
11476 3954 TIP3 OH2 38.1695147552 40.0454462867 42.4259773571 SOLV 3753 0.0000000000
|
|
11477 3954 TIP3 H1 37.2272283881 40.1145547422 42.5962925178 SOLV 3753 0.0000000000
|
|
11478 3954 TIP3 H2 38.2920324866 40.8041241405 41.8281248257 SOLV 3753 0.0000000000
|
|
11479 3955 TIP3 OH2 47.7613631544 39.6895836634 46.4397514662 SOLV 3754 0.0000000000
|
|
11480 3955 TIP3 H1 47.1146265875 39.0510128290 46.8371147539 SOLV 3754 0.0000000000
|
|
11481 3955 TIP3 H2 48.4757026991 39.6689799436 47.0938519172 SOLV 3754 0.0000000000
|
|
11482 3956 TIP3 OH2 40.7144240701 38.5454944155 44.8712725601 SOLV 3755 0.0000000000
|
|
11483 3956 TIP3 H1 39.7729724864 38.3571058953 44.6377342986 SOLV 3755 0.0000000000
|
|
11484 3956 TIP3 H2 41.1626562486 37.7790958245 44.4802408567 SOLV 3755 0.0000000000
|
|
11485 3957 TIP3 OH2 39.8633301271 38.3972011947 40.8088836441 SOLV 3756 0.0000000000
|
|
11486 3957 TIP3 H1 40.2942933076 39.0196095845 40.1947576187 SOLV 3756 0.0000000000
|
|
11487 3957 TIP3 H2 39.3740618021 39.0152059310 41.3898001410 SOLV 3756 0.0000000000
|
|
11488 3958 TIP3 OH2 44.8920820992 38.3441527709 44.6894256357 SOLV 3757 0.0000000000
|
|
11489 3958 TIP3 H1 45.6633403585 38.5806465975 44.1495308528 SOLV 3757 0.0000000000
|
|
11490 3958 TIP3 H2 45.1849142160 38.6115956970 45.5698182304 SOLV 3757 0.0000000000
|
|
11491 3959 TIP3 OH2 41.3595853975 40.2312386687 39.2165396860 SOLV 3758 0.0000000000
|
|
11492 3959 TIP3 H1 41.6011675280 39.5971630029 38.5161976709 SOLV 3758 0.0000000000
|
|
11493 3959 TIP3 H2 42.2457675416 40.4472800649 39.5851023823 SOLV 3758 0.0000000000
|
|
11494 3960 TIP3 OH2 46.1264572434 40.6188029817 41.4739018455 SOLV 3759 0.0000000000
|
|
11495 3960 TIP3 H1 46.2923121049 40.0308203082 42.2302305377 SOLV 3759 0.0000000000
|
|
11496 3960 TIP3 H2 46.2884846022 41.4745263578 41.9326888403 SOLV 3759 0.0000000000
|
|
11497 3961 POT POT 9.1974756702 44.8092844545 40.7953810873 IONS 1 0.0000000000
|
|
11498 3962 POT POT 33.9395904222 30.8193826818 30.8438168493 IONS 2 0.0000000000
|
|
11499 3963 POT POT 9.5294080231 25.9015832502 44.4510447846 IONS 3 0.0000000000
|
|
11500 3964 POT POT 11.4562607983 28.2222487041 34.3330681711 IONS 4 0.0000000000
|
|
11501 3965 POT POT 43.8509671751 43.1186304668 28.1004600941 IONS 5 0.0000000000
|
|
11502 3966 POT POT 28.1892207935 13.8252625370 17.7768948871 IONS 6 0.0000000000
|
|
11503 3967 POT POT 43.3324309442 33.9823653834 46.1699371240 IONS 7 0.0000000000
|
|
11504 3968 POT POT 35.6584268215 38.6334183040 25.7205266153 IONS 8 0.0000000000
|
|
11505 3969 POT POT 27.9760795973 31.4317527154 42.0191778995 IONS 9 0.0000000000
|
|
11506 3970 POT POT 33.4777724789 44.1424259681 18.9191999450 IONS 10 0.0000000000
|
|
11507 3971 CLA CLA 8.7107009879 11.3262460944 3.8419698161 IONS 11 0.0000000000
|
|
11508 3972 CLA CLA 7.4834187841 26.6130663595 14.4986926285 IONS 12 0.0000000000
|
|
11509 3973 CLA CLA 17.6249405427 25.1697076551 32.5650205917 IONS 13 0.0000000000
|
|
11510 3974 CLA CLA 20.7964613076 36.9727133797 36.3702652697 IONS 14 0.0000000000
|
|
11511 3975 CLA CLA 40.4422236452 14.3366631471 26.0279004496 IONS 15 0.0000000000
|
|
11512 3976 CLA CLA 32.8040421451 23.1808110390 12.1317098801 IONS 16 0.0000000000
|
|
11513 3977 CLA CLA 43.2900144594 36.9677856108 30.3355341100 IONS 17 0.0000000000
|
|
11514 3978 CLA CLA 39.1647516362 16.4134136766 13.1036291858 IONS 18 0.0000000000
|
|
11515 3979 CLA CLA 8.2158281187 16.7306492042 44.3119298116 IONS 19 0.0000000000
|
|
11516 3980 CLA CLA 41.3683212596 11.4419996840 36.1378392324 IONS 20 0.0000000000
|