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Text File | 1993-05-14 | 3.8 KB | 160 lines | [TEXT/MOLE] |
- ; Stick colour
- 2(0.700000, 0.700000, 0.700000)
- ; Model
- SF
- ; Definitions
- C = 28.245126, 11.298048(0.500000, 0.500000, 0.500000)
- H = 17.088317, 6.835319(1.000000, 1.000000, 1.000000)
- N = 25.044003, 10.017602(0.000000, 0.000000, 1.000000)
- O = 25.044003, 10.544845(1.000000, 0.000000, 0.000000)
- ; Instances
- N1 : -155.812892 -6.317558 5.427431
- C2 : -133.893513 6.882699 -4.034506
- C3 : -110.499902 -7.737730 4.185882
- O5 : -108.990587 -15.111539 25.674372
- H7 : -152.426211 -12.322967 23.370407
- N8 : -89.761559 -3.460469 -10.515928
- C9 : -66.568469 -16.420839 -4.324283
- C10 : -44.858381 2.201764 -7.557967
- O12 : -44.120628 15.270632 -26.187931
- H14 : -92.776046 1.369845 -28.876179
- N15 : -23.804814 -3.773404 6.060923
- C16 : -2.120863 12.689390 4.320270
- C17 : 21.448288 -3.783352 3.046250
- O19 : 23.555214 -21.288419 17.450874
- H21 : -26.312298 -13.704641 22.325422
- N22 : 41.764089 7.801682 -7.794294
- C23 : 65.079830 -6.201406 -9.923916
- C24 : 86.751564 11.625916 -3.514221
- O26 : 86.993850 32.515808 -12.567962
- H28 : 38.232798 21.482965 -20.828261
- N29 : 108.175501 -0.332705 4.394207
- C30 : 129.857122 14.872429 10.943376
- C31 : 153.318664 1.786521 0.609102
- O33 : 155.779225 -20.642474 3.665176
- H35 : 106.107472 -17.333541 13.121212
- N36 : 155.812892 -82.471843 27.044405
- C37 : 135.728979 -85.686404 45.225095
- C38 : 111.692076 -74.565747 33.948971
- O40 : 112.570426 -54.202089 23.802236
- H42 : 154.530979 -65.015665 19.099374
- N43 : 89.982084 -84.129178 44.035299
- C44 : 66.115379 -74.833536 34.643889
- C45 : 48.455720 -71.420203 57.117686
- O47 : 47.091297 -87.898403 72.770885
- H49 : 90.590726 -102.048238 50.967440
- N50 : 29.405018 -54.548649 53.012697
- C51 : 11.595271 -49.934249 73.156363
- C52 : -14.686389 -48.218627 61.545580
- O54 : -17.722689 -35.769717 42.726303
- H56 : 32.692060 -40.376307 40.451211
- N57 : -33.804005 -53.285054 78.077679
- C58 : -59.489216 -52.172826 68.951978
- C59 : -75.551416 -39.482055 89.188375
- O61 : -73.126934 -45.863683 110.909642
- H63 : -29.934610 -65.126915 92.717686
- N64 : -97.203698 -28.765705 80.195290
- C65 : -113.787181 -16.234939 97.863013
- C66 : -140.891196 -22.965550 90.895000
- O68 : -147.303665 -22.036513 69.066788
- H70 : -97.133519 -22.634000 61.978180
- N71 : 149.199873 102.267012 -35.855620
- C72 : 127.381562 88.637114 -26.776985
- C73 : 107.238524 89.439989 -47.324639
- O75 : 102.821230 109.175052 -57.785096
- H77 : 143.473586 118.217638 -44.926018
- N78 : 89.986503 70.343057 -45.844130
- C79 : 70.070086 69.374919 -64.462030
- C80 : 45.658283 62.236783 -50.982530
- O82 : 45.867321 45.143292 -35.943117
- H84 : 95.756112 53.801250 -37.932233
- N85 : 24.294140 69.532153 -63.423610
- C86 : 0.117300 63.666153 -52.229075
- C87 : -17.567270 55.124675 -73.271377
- O89 : -18.365401 67.066302 -92.639396
- H91 : 25.487937 85.047617 -74.706166
- N92 : -37.154783 40.443826 -65.192750
- C93 : -55.034756 31.340519 -83.677389
- C94 : -81.394905 33.442741 -72.307036
- O96 : -84.879034 26.333303 -50.959124
- H98 : -34.356416 29.878059 -49.379290
- N99 : -100.291796 34.659388 -89.798864
- C100 : -126.026441 36.682852 -80.977620
- C101 : -142.416286 19.708354 -97.461596
- O103 : -139.722341 20.226525 -120.065310
- H105 : -96.005404 42.230376 -106.938665
- ; Bonds
- N1, C2
- N1, H7
- C2, C3
- C3, O5
- C3, N8
- N8, C9
- N8, H14
- C9, C10
- C10, O12
- C10, N15
- N15, C16
- N15, H21
- C16, C17
- C17, O19
- C17, N22
- N22, C23
- N22, H28
- C23, C24
- C24, O26
- C24, N29
- N29, C30
- N29, H35
- C30, C31
- C31, O33
- N36, C37
- N36, H42
- C37, C38
- C38, O40
- C38, N43
- N43, C44
- N43, H49
- C44, C45
- C45, O47
- C45, N50
- N50, C51
- N50, H56
- C51, C52
- C52, O54
- C52, N57
- N57, C58
- N57, H63
- C58, C59
- C59, O61
- C59, N64
- N64, C65
- N64, H70
- C65, C66
- C66, O68
- N71, C72
- N71, H77
- C72, C73
- C73, O75
- C73, N78
- N78, C79
- N78, H84
- C79, C80
- C80, O82
- C80, N85
- N85, C86
- N85, H91
- C86, C87
- C87, O89
- C87, N92
- N92, C93
- N92, H98
- C93, C94
- C94, O96
- C94, N99
- N99, C100
- N99, H105
- C100, C101
- C101, O103
- ••Beta Sheet
- ••This is the same model that was shown before. It has been rotated around the x-axis to show the warping more clearly.