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Text File | 1992-02-27 | 4.5 KB | 202 lines | [TEXT/MOLE] |
- ; Stick colour
- 2(0.700000, 0.700000, 0.700000)
- ; Model
- BS
- ; Definitions
- C = 26.912277, 10.764911(0.500000, 0.500000, 0.500000)
- N = 26.912277, 10.764911(0.000000, 0.000000, 1.000000)
- O = 25.118125, 10.047250(1.000000, 0.000000, 0.000000)
- P = 37.677188, 13.276723(0.850000, 0.850000, 0.000000)
- ; Instances
- O1 : 116.635398 -57.381688 18.882415
- P2 : 143.731193 -59.208071 9.918408
- O3 : 160.020385 -49.912625 28.881169
- O4 : 148.737731 -84.023029 1.676140
- O5 : 143.842319 -41.177623 -12.379266
- C6 : 138.189703 -16.360383 -8.048918
- C7 : 132.960237 -3.274475 -31.590602
- O8 : 132.897626 -20.222514 -51.051725
- C9 : 109.574013 10.688099 -32.530873
- O10 : 112.412423 34.599998 -24.187055
- C11 : 102.937781 9.087453 -59.003901
- O12 : 116.367336 25.894872 -72.648899
- C13 : 112.316566 -15.850393 -65.671893
- N14 : 94.766192 -35.356299 -61.451764
- C15 : 94.697585 -52.918358 -43.991877
- N16 : 76.440363 -67.676201 -45.291001
- C17 : 63.460081 -59.369527 -65.045723
- C18 : 41.832661 -68.081704 -75.149405
- O19 : 29.488879 -85.318080 -68.911364
- N20 : 34.841105 -54.275122 -95.063096
- C21 : 47.326310 -34.641672 -103.896687
- N22 : 37.521097 -24.054559 -123.010272
- N23 : 67.458169 -26.475109 -94.330266
- C24 : 74.418203 -39.740901 -75.027214
- P25 : 102.668176 42.562694 1.408978
- O26 : 97.485770 21.035913 16.165649
- O27 : 119.521521 60.133551 12.244416
- O28 : 78.044399 55.515372 -5.541027
- C29 : 59.808113 41.242545 -16.880876
- C30 : 50.761168 53.635427 -39.661073
- O31 : 56.992821 38.070235 -59.897197
- C32 : 24.089235 59.176532 -40.370120
- O33 : 19.227071 83.343044 -33.908315
- C34 : 17.680061 53.357970 -66.315662
- O35 : 23.945391 72.657239 -81.671322
- C36 : 35.002234 32.723443 -71.867813
- N37 : 26.435521 9.013478 -63.505120
- C38 : 3.960448 1.384096 -71.076847
- O39 : -7.816627 14.664647 -84.382258
- N40 : -4.258991 -20.426027 -63.730107
- C41 : 9.058031 -34.278361 -49.340561
- N42 : 0.427097 -55.297629 -42.741351
- C43 : 32.410024 -26.769306 -41.210595
- C44 : 40.179575 -5.100426 -48.754084
- P45 : 9.945888 88.698872 -7.347548
- O46 : 17.186580 68.772377 8.852437
- O47 : 17.785450 113.013697 0.184029
- O48 : -18.472609 88.155880 -10.931819
- C49 : -28.416444 102.718650 -29.732434
- C50 : -47.819482 88.918756 -43.403448
- O51 : -38.430062 65.337379 -50.244960
- C52 : -70.094238 82.514683 -29.034752
- O53 : -86.086513 102.260261 -26.968463
- C54 : -80.385782 61.653830 -43.391429
- O55 : -91.609019 70.055005 -64.676094
- C56 : -57.601941 48.369247 -51.121697
- N57 : -51.343349 27.848895 -35.474435
- C58 : -32.023981 25.026653 -20.246802
- N59 : -31.651996 4.440203 -8.864491
- C60 : -52.167054 -7.316081 -17.124231
- C61 : -61.351399 -30.209373 -11.147152
- O62 : -53.137009 -45.330468 2.761712
- N63 : -82.684617 -35.042442 -23.667750
- C64 : -93.548797 -19.583552 -39.873415
- N65 : -113.750862 -27.704617 -49.789699
- N66 : -84.966301 1.890908 -45.358511
- C67 : -64.280020 6.708506 -33.287909
- P68 : -98.546245 106.734463 -1.552599
- O69 : -83.682255 95.695494 17.644539
- O70 : -103.764421 132.690530 1.472366
- O71 : -122.958581 91.994932 -4.284249
- C72 : -132.032447 79.760411 16.593745
- C73 : -152.117413 62.575532 9.284354
- O74 : -141.669833 45.399966 -8.053653
- C75 : -162.824705 47.639117 29.443187
- O76 : -182.607023 59.317842 40.492504
- C77 : -169.683304 24.585962 16.470670
- O78 : -190.869315 27.960850 2.714437
- C79 : -148.960039 21.781853 -1.389798
- N80 : -127.934789 8.992217 8.589889
- C81 : -104.987781 17.309289 12.658242
- N82 : -90.366978 1.234671 21.650243
- C83 : -104.591336 -19.255134 23.701335
- C84 : -98.708033 -42.397330 32.485136
- O85 : -79.343344 -49.862567 40.158880
- N86 : -118.543459 -57.851560 31.435147
- C87 : -141.096734 -51.599856 22.985702
- N88 : -157.461337 -69.068281 23.584774
- N89 : -146.599371 -29.942774 14.926059
- C90 : -127.444439 -14.789302 15.822309
- ; Bonds
- O1, P2
- P2, O3
- P2, O4
- P2, O5
- O5, C6
- C6, C7
- C7, O8
- C7, C9
- O8, C13
- C9, C11
- C9, O10
- C11, O12
- C11, C13
- C13, N14
- N14, C15
- N14, C24
- C15, N16
- N16, C17
- C17, C18
- C17, C24
- C18, O19
- C18, N20
- N20, C21
- C21, N22
- C21, N23
- N23, C24
- O10, P25
- P25, O26
- P25, O27
- P25, O28
- O28, C29
- C29, C30
- C30, O31
- C30, C32
- O31, C36
- C32, C34
- C32, O33
- C34, O35
- C34, C36
- C36, N37
- N37, C38
- C38, O39
- C38, N40
- N40, C41
- C41, N42
- C41, C43
- C43, C44
- N37, C44
- O33, P45
- P45, O46
- P45, O47
- P45, O48
- O48, C49
- C49, C50
- C50, O51
- C50, C52
- O51, C56
- C52, C54
- C52, O53
- C54, O55
- C54, C56
- C56, N57
- N57, C58
- N57, C67
- C58, N59
- N59, C60
- C60, C61
- C60, C67
- C61, O62
- C61, N63
- N63, C64
- C64, N65
- C64, N66
- N66, C67
- O53, P68
- P68, O69
- P68, O70
- P68, O71
- O71, C72
- C72, C73
- C73, O74
- C73, C75
- O74, C79
- C75, C77
- C75, O76
- C77, O78
- C77, C79
- C79, N80
- N80, C81
- N80, C90
- C81, N82
- N82, C83
- C83, C84
- C83, C90
- C84, O85
- C84, N86
- N86, C87
- C87, N88
- C87, N89
- N89, C90
-