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- ; Stick colour
- 2(0.700000, 0.700000, 0.700000)
- ; Model
- BS
- ; Definitions
- C = 30.074740, 12.029896(0.500000, 0.500000, 0.500000)
- H = 18.044844, 7.217938(1.000000, 1.000000, 1.000000)
- N = 30.074740, 12.029896(0.000000, 0.000000, 1.000000)
- O = 28.069758, 11.227903(1.000000, 0.000000, 0.000000)
- ; Instances
- O98 : 172.910012 20.241947 -11.395228
- C99 : 162.863692 42.714083 -25.492025
- H100 : 177.562763 58.895375 -24.910012
- H101 : 159.157382 37.240396 -46.332963
- C102 : 136.497180 52.559395 -13.228205
- H103 : 129.427866 69.581407 -25.013476
- O104 : 116.884375 31.991450 -14.657467
- C105 : 100.427506 34.568978 8.182498
- H106 : 87.564672 52.053532 5.573942
- N107 : 84.902259 9.352188 12.509241
- C108 : 97.829936 -14.285722 17.943753
- H109 : 119.377550 -14.544812 19.767187
- C110 : 84.263267 -37.585751 20.737738
- H111 : 95.189092 -55.774499 25.016937
- C112 : 55.751009 -36.427192 17.965433
- N113 : 41.662783 -58.927496 20.035577
- H114 : 50.828690 -76.418199 24.148184
- H115 : 21.573180 -58.225547 17.203252
- N116 : 42.971588 -13.695776 11.753569
- C117 : 57.158921 9.572553 8.867215
- O118 : 44.986609 30.156455 2.906428
- C119 : 139.010367 61.137758 16.286615
- H120 : 159.661783 59.384695 23.359156
- C121 : 120.620529 41.037815 30.343305
- H122 : 132.839168 23.785866 35.741748
- H123 : 111.283074 49.224483 48.264349
- O124 : 129.759418 87.901795 19.039175
- O505 : -170.489792 -27.494049 7.002154
- C506 : -177.325084 -1.068437 14.761114
- H507 : -197.296239 3.855847 7.332693
- H508 : -177.443166 0.272645 36.586429
- C509 : -157.080318 19.535068 4.178314
- H510 : -162.718593 39.069784 12.252899
- O511 : -131.012654 12.722066 13.428824
- C512 : -113.765941 10.261729 -8.970526
- H513 : -104.283944 29.616535 -12.710874
- N514 : -93.423002 -10.741791 -3.970796
- C515 : -97.514191 -37.419033 1.230006
- H516 : -117.206985 -46.379235 1.725107
- N517 : -75.604914 -50.973623 5.755232
- C518 : -55.376739 -31.881983 3.100165
- C519 : -27.006713 -34.484201 5.642849
- O520 : -14.043982 -54.963178 10.128719
- N521 : -13.533973 -10.343928 2.564760
- H522 : 6.831767 -11.052605 4.695856
- C523 : -25.998525 13.632709 -2.824773
- N524 : -10.853410 35.348308 -5.649271
- H525 : -19.938073 52.921984 -9.775397
- H526 : 9.321142 34.572385 -3.474151
- N527 : -52.485491 16.287170 -5.684116
- C528 : -66.101830 -7.149560 -2.511101
- C529 : -156.058035 21.233284 -26.536595
- H530 : -174.495191 13.908288 -35.787039
- C531 : -131.971623 3.407434 -32.585962
- H532 : -138.268905 -17.493414 -31.922651
- H533 : -122.819035 7.734114 -51.891685
- O534 : -151.124487 48.345449 -33.551029
- ; 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
- 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
-