388 lines
28 KiB
Plaintext
388 lines
28 KiB
Plaintext
COMPND UNNAMED
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AUTHOR GENERATED BY OPEN BABEL 2.3.90
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ATOM 1 Cu MOL 1 0.000 1.474 0.000 1.00 0.00 Cu
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ATOM 2 Cu MOL 1 2.553 1.474 0.000 1.00 0.00 Cu
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ATOM 3 Cu MOL 1 5.105 1.474 0.000 1.00 0.00 Cu
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ATOM 4 Cu MOL 1 7.658 1.474 0.000 1.00 0.00 Cu
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ATOM 5 Cu MOL 1 10.211 1.474 0.000 1.00 0.00 Cu
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ATOM 6 Cu MOL 1 12.763 1.474 0.000 1.00 0.00 Cu
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ATOM 7 Cu MOL 1 15.316 1.474 0.000 1.00 0.00 Cu
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ATOM 8 Cu MOL 1 17.869 1.474 0.000 1.00 0.00 Cu
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ATOM 9 Cu MOL 1 1.276 3.684 0.000 1.00 0.00 Cu
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ATOM 10 Cu MOL 1 3.829 3.684 0.000 1.00 0.00 Cu
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ATOM 11 Cu MOL 1 6.382 3.684 0.000 1.00 0.00 Cu
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ATOM 12 Cu MOL 1 8.934 3.684 0.000 1.00 0.00 Cu
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ATOM 13 Cu MOL 1 11.487 3.684 0.000 1.00 0.00 Cu
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ATOM 14 Cu MOL 1 14.040 3.684 0.000 1.00 0.00 Cu
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ATOM 15 Cu MOL 1 16.592 3.684 0.000 1.00 0.00 Cu
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ATOM 16 Cu MOL 1 19.145 3.684 0.000 1.00 0.00 Cu
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ATOM 17 Cu MOL 1 2.553 5.895 0.000 1.00 0.00 Cu
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ATOM 18 Cu MOL 1 5.105 5.895 0.000 1.00 0.00 Cu
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ATOM 19 Cu MOL 1 7.658 5.895 0.000 1.00 0.00 Cu
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ATOM 20 Cu MOL 1 10.211 5.895 0.000 1.00 0.00 Cu
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ATOM 21 Cu MOL 1 12.763 5.895 0.000 1.00 0.00 Cu
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ATOM 22 Cu MOL 1 15.316 5.895 0.000 1.00 0.00 Cu
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ATOM 23 Cu MOL 1 17.869 5.895 0.000 1.00 0.00 Cu
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ATOM 24 Cu MOL 1 20.421 5.895 0.000 1.00 0.00 Cu
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ATOM 25 Cu MOL 1 3.829 8.106 0.000 1.00 0.00 Cu
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ATOM 26 Cu MOL 1 6.382 8.106 0.000 1.00 0.00 Cu
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ATOM 27 Cu MOL 1 8.934 8.106 0.000 1.00 0.00 Cu
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ATOM 28 Cu MOL 1 11.487 8.106 0.000 1.00 0.00 Cu
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ATOM 29 Cu MOL 1 14.040 8.106 0.000 1.00 0.00 Cu
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ATOM 30 Cu MOL 1 16.592 8.106 0.000 1.00 0.00 Cu
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ATOM 31 Cu MOL 1 19.145 8.106 0.000 1.00 0.00 Cu
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ATOM 32 Cu MOL 1 21.698 8.106 0.000 1.00 0.00 Cu
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ATOM 33 Cu MOL 1 5.105 10.316 0.000 1.00 0.00 Cu
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ATOM 34 Cu MOL 1 7.658 10.316 0.000 1.00 0.00 Cu
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ATOM 35 Cu MOL 1 10.211 10.316 0.000 1.00 0.00 Cu
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ATOM 36 Cu MOL 1 12.763 10.316 0.000 1.00 0.00 Cu
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ATOM 37 Cu MOL 1 15.316 10.316 0.000 1.00 0.00 Cu
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ATOM 38 Cu MOL 1 17.869 10.316 0.000 1.00 0.00 Cu
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ATOM 39 Cu MOL 1 20.421 10.316 0.000 1.00 0.00 Cu
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ATOM 40 Cu MOL 1 22.974 10.316 0.000 1.00 0.00 Cu
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ATOM 41 Cu MOL 1 6.382 12.527 0.000 1.00 0.00 Cu
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ATOM 42 Cu MOL 1 8.934 12.527 0.000 1.00 0.00 Cu
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ATOM 43 Cu MOL 1 11.487 12.527 0.000 1.00 0.00 Cu
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ATOM 44 Cu MOL 1 14.040 12.527 0.000 1.00 0.00 Cu
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ATOM 45 Cu MOL 1 16.592 12.527 0.000 1.00 0.00 Cu
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ATOM 46 Cu MOL 1 19.145 12.527 0.000 1.00 0.00 Cu
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ATOM 47 Cu MOL 1 21.698 12.527 0.000 1.00 0.00 Cu
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ATOM 48 Cu MOL 1 24.250 12.527 0.000 1.00 0.00 Cu
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ATOM 49 Cu MOL 1 7.658 14.738 0.000 1.00 0.00 Cu
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ATOM 50 Cu MOL 1 10.211 14.738 0.000 1.00 0.00 Cu
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ATOM 51 Cu MOL 1 12.763 14.738 0.000 1.00 0.00 Cu
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ATOM 52 Cu MOL 1 15.316 14.738 0.000 1.00 0.00 Cu
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ATOM 53 Cu MOL 1 17.869 14.738 0.000 1.00 0.00 Cu
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ATOM 54 Cu MOL 1 20.421 14.738 0.000 1.00 0.00 Cu
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ATOM 55 Cu MOL 1 22.974 14.738 0.000 1.00 0.00 Cu
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ATOM 56 Cu MOL 1 25.527 14.738 0.000 1.00 0.00 Cu
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ATOM 57 Cu MOL 1 8.934 16.948 0.000 1.00 0.00 Cu
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ATOM 58 Cu MOL 1 11.487 16.948 0.000 1.00 0.00 Cu
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ATOM 59 Cu MOL 1 14.040 16.948 0.000 1.00 0.00 Cu
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ATOM 60 Cu MOL 1 16.592 16.948 0.000 1.00 0.00 Cu
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ATOM 61 Cu MOL 1 19.145 16.948 0.000 1.00 0.00 Cu
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ATOM 62 Cu MOL 1 21.698 16.948 0.000 1.00 0.00 Cu
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ATOM 63 Cu MOL 1 24.250 16.948 0.000 1.00 0.00 Cu
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ATOM 64 Cu MOL 1 26.803 16.948 0.000 1.00 0.00 Cu
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ATOM 65 Cu MOL 1 0.000 0.000 2.084 1.00 0.00 Cu
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ATOM 66 Cu MOL 1 2.553 0.000 2.084 1.00 0.00 Cu
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ATOM 67 Cu MOL 1 5.105 0.000 2.084 1.00 0.00 Cu
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ATOM 68 Cu MOL 1 7.658 0.000 2.084 1.00 0.00 Cu
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ATOM 69 Cu MOL 1 10.211 0.000 2.084 1.00 0.00 Cu
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ATOM 70 Cu MOL 1 12.763 0.000 2.084 1.00 0.00 Cu
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ATOM 71 Cu MOL 1 15.316 0.000 2.084 1.00 0.00 Cu
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ATOM 72 Cu MOL 1 17.869 0.000 2.084 1.00 0.00 Cu
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ATOM 73 Cu MOL 1 1.276 2.211 2.084 1.00 0.00 Cu
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ATOM 74 Cu MOL 1 3.829 2.211 2.084 1.00 0.00 Cu
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ATOM 75 Cu MOL 1 6.382 2.211 2.084 1.00 0.00 Cu
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ATOM 76 Cu MOL 1 8.934 2.211 2.084 1.00 0.00 Cu
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ATOM 77 Cu MOL 1 11.487 2.211 2.084 1.00 0.00 Cu
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ATOM 78 Cu MOL 1 14.040 2.211 2.084 1.00 0.00 Cu
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ATOM 79 Cu MOL 1 16.592 2.211 2.084 1.00 0.00 Cu
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ATOM 80 Cu MOL 1 19.145 2.211 2.084 1.00 0.00 Cu
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ATOM 81 Cu MOL 1 2.553 4.421 2.084 1.00 0.00 Cu
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ATOM 82 Cu MOL 1 5.105 4.421 2.084 1.00 0.00 Cu
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ATOM 83 Cu MOL 1 7.658 4.421 2.084 1.00 0.00 Cu
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ATOM 84 Cu MOL 1 10.211 4.421 2.084 1.00 0.00 Cu
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ATOM 85 Cu MOL 1 12.763 4.421 2.084 1.00 0.00 Cu
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ATOM 86 Cu MOL 1 15.316 4.421 2.084 1.00 0.00 Cu
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ATOM 87 Cu MOL 1 17.869 4.421 2.084 1.00 0.00 Cu
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ATOM 88 Cu MOL 1 20.421 4.421 2.084 1.00 0.00 Cu
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ATOM 89 Cu MOL 1 3.829 6.632 2.084 1.00 0.00 Cu
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ATOM 90 Cu MOL 1 6.382 6.632 2.084 1.00 0.00 Cu
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ATOM 91 Cu MOL 1 8.934 6.632 2.084 1.00 0.00 Cu
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ATOM 92 Cu MOL 1 11.487 6.632 2.084 1.00 0.00 Cu
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ATOM 93 Cu MOL 1 14.040 6.632 2.084 1.00 0.00 Cu
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ATOM 94 Cu MOL 1 16.592 6.632 2.084 1.00 0.00 Cu
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ATOM 95 Cu MOL 1 19.145 6.632 2.084 1.00 0.00 Cu
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ATOM 96 Cu MOL 1 21.698 6.632 2.084 1.00 0.00 Cu
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ATOM 97 Cu MOL 1 5.105 8.843 2.084 1.00 0.00 Cu
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ATOM 98 Cu MOL 1 7.658 8.843 2.084 1.00 0.00 Cu
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ATOM 99 Cu MOL 1 10.211 8.843 2.084 1.00 0.00 Cu
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ATOM 100 Cu MOL 1 12.763 8.843 2.084 1.00 0.00 Cu
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ATOM 101 Cu MOL 1 15.316 8.843 2.084 1.00 0.00 Cu
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ATOM 102 Cu MOL 1 17.869 8.843 2.084 1.00 0.00 Cu
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ATOM 103 Cu MOL 1 20.421 8.843 2.084 1.00 0.00 Cu
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ATOM 104 Cu MOL 1 22.974 8.843 2.084 1.00 0.00 Cu
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ATOM 105 Cu MOL 1 6.382 11.053 2.084 1.00 0.00 Cu
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ATOM 106 Cu MOL 1 8.934 11.053 2.084 1.00 0.00 Cu
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ATOM 107 Cu MOL 1 11.487 11.053 2.084 1.00 0.00 Cu
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ATOM 108 Cu MOL 1 14.040 11.053 2.084 1.00 0.00 Cu
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ATOM 109 Cu MOL 1 16.592 11.053 2.084 1.00 0.00 Cu
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ATOM 110 Cu MOL 1 19.145 11.053 2.084 1.00 0.00 Cu
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ATOM 111 Cu MOL 1 21.698 11.053 2.084 1.00 0.00 Cu
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ATOM 112 Cu MOL 1 24.250 11.053 2.084 1.00 0.00 Cu
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ATOM 113 Cu MOL 1 7.658 13.264 2.084 1.00 0.00 Cu
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ATOM 114 Cu MOL 1 10.211 13.264 2.084 1.00 0.00 Cu
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ATOM 115 Cu MOL 1 12.763 13.264 2.084 1.00 0.00 Cu
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ATOM 116 Cu MOL 1 15.316 13.264 2.084 1.00 0.00 Cu
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ATOM 117 Cu MOL 1 17.869 13.264 2.084 1.00 0.00 Cu
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ATOM 118 Cu MOL 1 20.421 13.264 2.084 1.00 0.00 Cu
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ATOM 119 Cu MOL 1 22.974 13.264 2.084 1.00 0.00 Cu
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ATOM 120 Cu MOL 1 25.527 13.264 2.084 1.00 0.00 Cu
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ATOM 121 Cu MOL 1 8.934 15.475 2.084 1.00 0.00 Cu
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ATOM 122 Cu MOL 1 11.487 15.475 2.084 1.00 0.00 Cu
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ATOM 123 Cu MOL 1 14.040 15.475 2.084 1.00 0.00 Cu
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ATOM 124 Cu MOL 1 16.592 15.475 2.084 1.00 0.00 Cu
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ATOM 125 Cu MOL 1 19.145 15.475 2.084 1.00 0.00 Cu
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ATOM 126 Cu MOL 1 21.698 15.475 2.084 1.00 0.00 Cu
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ATOM 127 Cu MOL 1 24.250 15.475 2.084 1.00 0.00 Cu
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ATOM 128 Cu MOL 1 26.803 15.475 2.084 1.00 0.00 Cu
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ATOM 129 N GLY A 2 11.099 6.791 5.917 1.00 0.00 N
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ATOM 130 CA GLY A 2 12.546 6.791 5.917 1.00 0.00 C
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ATOM 131 C GLY A 2 13.068 6.791 7.351 1.00 0.00 C
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ATOM 132 O GLY A 2 14.037 6.133 7.721 1.00 0.00 O
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ATOM 133 HA1 GLY A 2 12.898 5.895 5.395 1.00 0.00 H
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ATOM 134 HA2 GLY A 2 12.899 7.684 5.394 1.00 0.00 H
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ATOM 135 H GLY A 2 10.627 6.788 6.817 1.00 0.00 H
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ATOM 136 HN GLY A 2 10.591 6.867 5.041 1.00 0.00 H
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ATOM 137 OXT GLY A 2 12.402 7.568 8.233 1.00 0.00 O
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ATOM 138 HO GLY A 2 11.563 8.138 7.912 1.00 0.00 H
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CONECT 1 9 65 73
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CONECT 2 3 9 10 66
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CONECT 2 73 74
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CONECT 3 2 10 11 67
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CONECT 3 74
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CONECT 4 11 12 68 75
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CONECT 4 76
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CONECT 5 6 12 13 69
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CONECT 5 77
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CONECT 6 5 13 14 70
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CONECT 6 77
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CONECT 7 8 14 15 71
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CONECT 7 78 79
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CONECT 8 7 15 16 72
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CONECT 8 80
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CONECT 9 1 2 17 73
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CONECT 10 2 3 18 74
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CONECT 10 81 82
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CONECT 11 3 4 12 19
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CONECT 11 75 83
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CONECT 12 4 5 11 19
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CONECT 12 76 83
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CONECT 13 5 6 21 77
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CONECT 13 84 85
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CONECT 14 6 7 15 22
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CONECT 14 78 86
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CONECT 15 7 8 14 22
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CONECT 15 79 86
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CONECT 16 8 23 24 80
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CONECT 16 87 88
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CONECT 17 9 18 25 81
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CONECT 17 89
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CONECT 18 10 17 25 82
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CONECT 18 89 90
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CONECT 19 11 12 27 83
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CONECT 19 90 91
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CONECT 20 21 84 91 92
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CONECT 21 13 20 28 85
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CONECT 21 92 93
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CONECT 22 14 15 30 86
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CONECT 22 93 94
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CONECT 23 16 24 87 94
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CONECT 23 95
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CONECT 24 16 23 31 88
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CONECT 24 95 96
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CONECT 25 17 18 33 89
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CONECT 25 97
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CONECT 26 27 33 34 90
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CONECT 26 97 98
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CONECT 27 19 26 34 35
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CONECT 27 91 98
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CONECT 28 21 35 36 92
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CONECT 28 99 100
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CONECT 29 30 36 37 93
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CONECT 29 101
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CONECT 30 22 29 37 38
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CONECT 30 94 101
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CONECT 31 24 38 39 95
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CONECT 31 102 103
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CONECT 32 39 40 96 104
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CONECT 33 25 26 41 97
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CONECT 34 26 27 42 98
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CONECT 34 105 106
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CONECT 35 27 28 36 43
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CONECT 35 99 107
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CONECT 36 28 29 35 43
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CONECT 36 100 107
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CONECT 37 29 30 45 101
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CONECT 37 108 109
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CONECT 38 30 31 39 46
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CONECT 38 102 110
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CONECT 39 31 32 38 46
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CONECT 39 103 110
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CONECT 40 32 47 48 104
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CONECT 40 111 112
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CONECT 41 33 42 49 105
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CONECT 41 113
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CONECT 42 34 41 49 106
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CONECT 42 113 114
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CONECT 43 35 36 51 107
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CONECT 43 114 115
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CONECT 44 45 108 115 116
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CONECT 45 37 44 52 109
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CONECT 45 116 117
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CONECT 46 38 39 54 110
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CONECT 46 117 118
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CONECT 47 40 48 111 118
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CONECT 47 119
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CONECT 48 40 47 55 112
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CONECT 48 119 120
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CONECT 49 41 42 57 113
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CONECT 49 121
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CONECT 50 51 57 58 114
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CONECT 50 121 122
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CONECT 51 43 50 58 59
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CONECT 51 115 122
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CONECT 52 45 59 60 116
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CONECT 52 123 124
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CONECT 53 54 60 61 117
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CONECT 53 124 125
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CONECT 54 46 53 61 62
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CONECT 54 118 125
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CONECT 55 48 62 63 119
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CONECT 55 126 127
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CONECT 56 63 64 120 127
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CONECT 56 128
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CONECT 57 49 50 58 121
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CONECT 58 50 51 57 59
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CONECT 58 122
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CONECT 59 51 52 58 60
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CONECT 59 123
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CONECT 60 52 53 59 61
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CONECT 60 124
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CONECT 61 53 54 60 62
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CONECT 61 125
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CONECT 62 54 55 61 63
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CONECT 62 126
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CONECT 63 55 56 62 64
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CONECT 63 127
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CONECT 64 56 63 128
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CONECT 65 1 66 73
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CONECT 66 2 65 67
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CONECT 67 3 66 68 74
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CONECT 68 4 67 69 75
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CONECT 68 76
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CONECT 69 5 68 70
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CONECT 70 6 69 71 77
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CONECT 71 7 70 72 78
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CONECT 71 79
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CONECT 72 8 71 80
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CONECT 73 1 2 9 65
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CONECT 73 81
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CONECT 74 2 3 10 67
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CONECT 74 81 82
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CONECT 75 4 11 68 76
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CONECT 75 82 83
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CONECT 76 4 12 68 75
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CONECT 76 83 84
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CONECT 77 5 6 13 70
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CONECT 77 84 85
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CONECT 78 7 14 71 79
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CONECT 78 85 86
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CONECT 79 7 15 71 78
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CONECT 79 86 87
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CONECT 80 8 16 72 87
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CONECT 80 88
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CONECT 81 10 17 73 74
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CONECT 81 82 89
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CONECT 82 10 18 74 75
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CONECT 82 81 89
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CONECT 83 11 12 19 75
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CONECT 83 76 91
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CONECT 84 13 20 76 77
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CONECT 84 85 92
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CONECT 85 13 21 77 78
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CONECT 85 84 92
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CONECT 86 14 15 22 78
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CONECT 86 79 94
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CONECT 87 16 23 79 80
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CONECT 87 88 95
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CONECT 88 16 24 80 87
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CONECT 88 95 96
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CONECT 89 17 18 25 81
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CONECT 89 82 97
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CONECT 90 18 19 26 91
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CONECT 91 19 20 27 83
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CONECT 91 90 98
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CONECT 92 20 21 28 84
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CONECT 92 85 100
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CONECT 93 21 22 29 94
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CONECT 94 22 23 30 86
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CONECT 94 93 101
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CONECT 95 23 24 31 87
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CONECT 95 88 103
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CONECT 96 24 32 88 104
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CONECT 97 25 26 33 89
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CONECT 97 105
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CONECT 98 26 27 34 91
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CONECT 98 105 106
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CONECT 99 28 35 100 106
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CONECT 99 107
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CONECT 100 28 36 92 99
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CONECT 100 107 108
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CONECT 101 29 30 37 94
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CONECT 101 108 109
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CONECT 102 31 38 103 109
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CONECT 102 110
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CONECT 103 31 39 95 102
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CONECT 103 110 111
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CONECT 104 32 40 96 111
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CONECT 104 112
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CONECT 105 34 41 97 98
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CONECT 105 106 113
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CONECT 106 34 42 98 99
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CONECT 106 105 113
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CONECT 107 35 36 43 99
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CONECT 107 100 115
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CONECT 108 37 44 100 101
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CONECT 108 109 116
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CONECT 109 37 45 101 102
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CONECT 109 108 116
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CONECT 110 38 39 46 102
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CONECT 110 103 118
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CONECT 111 40 47 103 104
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CONECT 111 112 119
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CONECT 112 40 48 104 111
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CONECT 112 119 120
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CONECT 113 41 42 49 105
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CONECT 113 106 121
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CONECT 114 42 43 50 115
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CONECT 114 121 122
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CONECT 115 43 44 51 107
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CONECT 115 114 122
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CONECT 116 44 45 52 108
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CONECT 116 109 124
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CONECT 117 45 46 53 118
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CONECT 117 125
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CONECT 118 46 47 54 110
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CONECT 118 117 125
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CONECT 119 47 48 55 111
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CONECT 119 112 127
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CONECT 120 48 56 112 128
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CONECT 121 49 50 57 113
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CONECT 121 114
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CONECT 122 50 51 58 114
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CONECT 122 115 123
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CONECT 123 52 59 122 124
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CONECT 124 52 53 60 116
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CONECT 124 123
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CONECT 125 53 54 61 117
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CONECT 125 118 126
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CONECT 126 55 62 125 127
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CONECT 127 55 56 63 119
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CONECT 127 126 128
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CONECT 128 56 64 120 127
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CONECT 129 136 130 135
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CONECT 130 129 131 134 133
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CONECT 131 130 132 137
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CONECT 132 131
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CONECT 133 130
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CONECT 134 130
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CONECT 135 129
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CONECT 136 129
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CONECT 137 131 138
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CONECT 138 137
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MASTER 0 0 0 0 0 0 0 0 138 0 138 0
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END
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