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- ; Stick colour
- 2(0.700000, 0.700000, 0.700000)
- ; Model
- BS
- ; Definitions
- C = 26.707184, 10.682874(0.500000, 0.500000, 0.500000)
- H = 16.024311, 6.409724(1.000000, 1.000000, 1.000000)
- N = 26.707184, 10.682874(0.000000, 0.000000, 1.000000)
- O = 24.926705, 9.970682(1.000000, 0.000000, 0.000000)
- P = 37.390058, 13.175544(0.850000, 0.850000, 0.000000)
- ; Instances
- O98 : 134.550794 -21.276723 76.373645
- C99 : 138.521262 1.566821 66.527596
- H100 : 149.791694 11.929209 78.474610
- H101 : 147.459267 -0.195853 49.381584
- C102 : 115.001135 14.795780 62.646152
- H103 : 119.007213 32.084231 54.740825
- O104 : 100.454622 1.905112 46.497208
- C105 : 76.614009 5.626313 53.423271
- H106 : 71.521839 23.733784 48.615978
- N107 : 60.945794 -12.730424 42.295277
- C108 : 63.758951 -36.375185 47.654519
- H109 : 77.023519 -41.716622 60.473968
- C110 : 50.494383 -53.396564 36.989450
- H111 : 53.254125 -71.824521 41.707719
- C112 : 33.241542 -45.598066 19.968071
- N113 : 20.137217 -61.747010 8.715444
- H114 : 21.899891 -79.160094 12.525669
- H115 : 8.475080 -56.263135 -3.890347
- N116 : 30.873505 -22.683302 13.967857
- C117 : 44.600998 -5.822166 24.899998
- O118 : 42.250765 15.098462 18.917589
- C119 : 100.614865 18.623810 85.632135
- H120 : 110.087014 11.697747 101.140107
- C121 : 78.002783 4.326564 80.593380
- H122 : 81.083011 -13.709688 86.967494
- H123 : 62.370178 11.679942 89.335531
- O124 : 95.878791 43.283443 88.427487
- P125 : 84.822017 54.073146 112.659806
- O126 : 80.085943 34.220805 129.307284
- O127 : 99.991698 74.245972 120.262451
- O128 : 59.681654 64.488948 103.668387
- O501 : -140.088084 -9.614586 -86.611399
- P502 : -130.509107 -4.344369 -113.158340
- O503 : -119.060627 -26.048407 -122.683902
- O504 : -149.791694 7.442402 -126.689980
- O505 : -110.051404 14.973828 -107.781293
- C506 : -116.105032 38.298102 -100.410110
- H507 : -124.562307 47.805860 -115.081257
- H508 : -128.621799 37.318839 -85.596526
- C509 : -94.205141 52.257057 -91.935031
- H510 : -100.419013 69.403069 -85.240430
- O511 : -82.952514 39.562242 -73.168782
- C512 : -58.827025 35.716408 -79.347044
- H513 : -48.179760 50.405359 -72.403177
- N514 : -50.529993 12.659205 -69.679044
- C515 : -59.254339 -9.650196 -74.361703
- H516 : -73.658414 -12.819448 -86.682618
- N517 : -48.802928 -26.671575 -62.503714
- C518 : -31.656916 -14.777975 -49.078902
- C519 : -14.528708 -23.751589 -32.609472
- O520 : -10.789702 -44.618802 -27.161206
- N521 : -1.068287 -5.964604 -21.997817
- H522 : 11.181408 -11.448480 -9.712513
- C523 : -3.560958 17.858204 -27.000963
- N524 : 10.593850 33.170323 -15.855165
- H525 : 8.902395 50.636821 -19.611976
- H526 : 22.683302 27.668643 -3.658884
- N527 : -19.246977 26.475722 -42.651373
- C528 : -32.778617 9.311905 -53.120589
- C529 : -75.616941 56.494597 -111.520299
- H530 : -83.379829 55.390700 -129.307284
- C531 : -58.097028 36.375185 -106.499348
- H532 : -65.023091 19.941364 -114.119798
- H533 : -40.381263 39.864924 -113.478826
- O534 : -65.236749 79.160094 -107.496417
- ; Bonds
- O98, C99
- C99, H100
- C99, H101
- C99, C102
- C102, H103
- C102, O104
- C102, C119
- C119, H120
- C119, O124
- C119, C121
- C121, H122
- C121, H123
- C121, C105
- C105, H106
- C105, O104
- C105, N107
- N107, C108
- C108, H109
- C108, C110
- C110, H111
- C110, C112
- C112, N113
- N113, H114
- N113, H115
- C112, N116
- N116, C117
- C117, O118
- C117, N107
- P125, O124
- P125, O128
- P125, O126
- P125, O127
- P502, O503
- P502, O501
- P502, O504
- P502, O505
- O505, C506
- C506, H507
- C506, H508
- C506, C509
- C509, H510
- C509, O511
- C509, C529
- C529, H530
- C529, O534
- C529, C531
- C531, H532
- C531, H533
- C531, C512
- C512, H513
- C512, O511
- C512, N514
- N514, C515
- N514, C528
- C515, H516
- C515, N517
- N517, C518
- C518, C528
- C518, C519
- C519, O520
- C519, N521
- N521, H522
- N521, C523
- C523, N524
- N524, H525
- N524, H526
- C523, N527
- N527, C528
-