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Text File | 1993-05-13 | 10.4 KB | 431 lines | [TEXT/MOLE] |
- ; Stick colour
- 2(0.700000, 0.700000, 0.700000)
- ; Model
- BS
- ; Definitions
- C = 13.555091, 5.422037(0.500000, 0.500000, 0.500000)
- D = 12.651418, 5.241302(1.000000, 0.000000, 0.000000)
- F = 19.880800, 7.229382(0.800000, 0.000000, 0.600000)
- N = 13.555091, 5.422037(0.000000, 0.000000, 1.000000)
- O = 12.651418, 5.241302(1.000000, 0.000000, 0.000000)
- ; Instances
- C1 : -177.693899 -48.220649 -14.068272
- C2 : -156.116681 -51.816407 -41.269879
- C3 : -169.604929 -70.778626 -66.164978
- C4 : -154.141755 -99.089045 -76.162296
- C5 : -147.299140 -81.911042 -105.620511
- C6 : -132.282527 -56.030361 -88.556455
- C7 : -114.007897 -78.889243 -70.555395
- C8 : -104.044388 -92.530865 -100.871816
- C9 : -91.922523 -61.879064 -110.774817
- C10 : -75.458963 -58.128295 -80.797119
- C11 : -59.763499 -88.059737 -79.782186
- C12 : -51.945452 -88.723979 -112.764601
- C13 : -33.098135 -60.089197 -108.144231
- C14 : -19.494783 -72.575911 -78.378804
- C15 : -7.433159 -100.892797 -93.483288
- C16 : 11.686311 -79.584575 -112.650766
- C17 : 21.750780 -63.215802 -84.152055
- C18 : 32.249367 -93.559423 -72.993170
- C19 : 54.783450 -96.352355 -98.699522
- C20 : 73.594574 -71.341584 -84.492263
- C21 : 63.243965 -66.070898 -52.785977
- C22 : 92.649722 -52.390282 -41.957654
- C23 : 92.502781 -29.348967 -67.423136
- C24 : 59.339856 -21.463058 -62.210078
- C25 : 63.115165 -19.067911 -28.523577
- C26 : 90.191050 1.597962 -30.936744
- C27 : 74.631170 23.502592 -52.746250
- C28 : 46.623250 24.208759 -32.600084
- C29 : 63.705834 31.426786 -3.871525
- C30 : 82.308270 55.254472 -20.290953
- C31 : 53.767948 70.320704 -32.300082
- C32 : 40.008611 70.218756 -0.719091
- C33 : 68.358310 84.152975 12.993146
- C34 : 71.360083 109.112745 -9.532390
- C35 : 38.405647 117.632678 -13.060474
- C36 : 33.336746 116.936867 21.374793
- C37 : 62.965653 121.086293 38.816790
- C38 : 47.453009 118.137874 68.972665
- C39 : 42.997864 84.264881 63.821981
- C40 : 76.669203 79.071002 61.881542
- C41 : 79.714139 91.634028 94.171024
- C42 : 60.862078 64.925741 104.558309
- C43 : 86.710780 44.599052 94.732305
- C44 : 113.351005 45.270050 116.183377
- C45 : 129.302737 23.990608 94.674424
- C46 : 126.194081 44.249996 67.397091
- C47 : 126.702680 75.734643 81.868262
- C48 : 159.041163 80.662035 71.883621
- C49 : 152.611219 80.141738 37.960619
- C50 : 150.934005 112.063973 25.357973
- C51 : 151.573273 108.793865 -8.481961
- C52 : 136.176649 89.337483 -31.760679
- C53 : 166.897615 76.786672 -41.300774
- C54 : 173.834392 66.509700 -9.103281
- C55 : 142.651553 51.832627 -7.337048
- C56 : 147.176924 34.761024 -36.206524
- C57 : 177.693899 24.123823 -24.744965
- C58 : 166.305216 9.988624 4.393917
- C59 : 162.909840 -24.423184 5.165418
- C60 : 146.248935 -22.551143 35.226566
- C61 : 122.018748 -1.716425 21.842711
- C62 : 118.466330 -23.890296 -3.990487
- C63 : 115.822260 -49.603254 19.307803
- C64 : 90.551120 -33.100108 35.304185
- C65 : 74.261586 -26.464527 5.521969
- C66 : 73.335568 -60.458915 0.497029
- C67 : 60.016031 -64.562498 32.166979
- C68 : 34.676236 -42.411697 26.155040
- C69 : 24.908259 -53.824923 -4.921648
- C70 : 25.825552 -86.352754 5.237545
- C71 : 5.369100 -79.066799 31.735563
- C72 : -15.806462 -61.036551 10.923649
- C73 : -15.761228 -86.204644 -11.516451
- C74 : -25.849819 -109.264153 11.907286
- C75 : -52.005462 -88.581477 19.090708
- C76 : -61.826707 -82.590758 -13.092113
- C77 : -62.212521 -115.786650 -21.161248
- C78 : -85.498458 -121.086293 3.635341
- C79 : -107.367125 -101.514599 -13.509474
- C80 : -121.045319 -86.190384 13.536567
- C81 : -119.249856 -113.406147 34.970298
- C82 : -91.164454 -101.116977 49.985544
- C83 : -99.488439 -98.912364 83.315134
- C84 : -72.432614 -117.621180 94.144301
- C85 : -47.923307 -102.384954 75.512828
- C86 : -59.426795 -71.083451 81.352054
- C87 : -63.840267 -73.217732 115.311015
- C88 : -30.214065 -75.296104 123.643934
- C89 : -21.686517 -50.491050 101.513180
- C90 : -45.030600 -28.788380 115.489558
- C91 : -34.081810 -36.470877 146.802814
- C92 : -1.013382 -31.020595 139.825045
- C93 : -6.249387 -2.549339 121.805327
- C94 : -27.235001 9.397778 145.685043
- C95 : -11.884970 2.576141 175.057465
- C96 : 20.926572 -1.209386 165.976908
- C97 : 27.775621 16.907893 138.051532
- C98 : 4.058489 41.039580 143.774553
- C99 : -4.803242 45.629040 110.563390
- C100 : -31.377299 67.374284 104.924265
- C101 : -55.725407 54.749070 84.042914
- C102 : -49.248836 82.162961 63.086505
- C103 : -17.674985 69.360343 56.745119
- C104 : -32.844692 40.537661 46.573329
- C105 : -49.145911 60.150096 23.711904
- C106 : -19.096033 73.379736 13.205190
- C107 : -4.710165 42.580254 7.744043
- C108 : -33.471689 33.520115 -9.025709
- C109 : -28.887472 59.818015 -30.504903
- C110 : 3.991738 50.863441 -33.652474
- C111 : -4.316082 18.664608 -42.773052
- C112 : -25.844814 29.518878 -66.987908
- C113 : -4.079360 51.725129 -79.808458
- C114 : 20.777000 28.309046 -82.742973
- C115 : -0.676874 4.964694 -96.125148
- C116 : -8.941515 27.167030 -120.110144
- C117 : 23.797963 34.137918 -127.401385
- C118 : 33.198920 1.952562 -130.393385
- C119 : 5.588929 -11.208069 -144.764958
- C120 : -11.823060 10.607734 -165.367376
- C121 : -26.305394 -9.335018 -189.520226
- C122 : -33.971218 -29.115368 -164.463681
- C123 : -45.120482 -6.993796 -140.643240
- C124 : -70.796781 9.603504 -156.557227
- C125 : -95.185330 29.482413 -140.394481
- C126 : -113.348480 1.414165 -132.568360
- C127 : -86.819654 -14.579024 -117.371865
- C128 : -79.344694 14.879197 -102.256434
- C129 : -111.216537 16.493369 -89.401922
- C130 : -111.073334 -16.195804 -78.027481
- C131 : -80.260273 -11.786043 -62.634754
- C132 : -90.484149 16.512755 -46.889299
- C133 : -118.687728 0.186621 -35.065397
- C134 : -98.816124 -25.516496 -23.641791
- C135 : -77.890773 -3.386383 -7.809498
- C136 : -104.884360 13.191928 5.550242
- C137 : -116.541745 -16.793047 18.081722
- C138 : -85.217070 -22.503023 31.113507
- C139 : -85.084366 8.780081 46.097175
- C140 : -117.731911 5.299359 56.407159
- C141 : -112.575095 -23.813327 74.064283
- C142 : -83.270289 -13.323952 89.045595
- C143 : -99.395594 15.929717 98.225190
- C144 : -123.167055 -2.597787 114.085914
- C145 : -99.530637 -19.446605 131.670700
- C146 : -84.253141 10.355127 139.644913
- C147 : -113.327294 23.448151 152.028405
- C148 : -117.446264 -4.360577 171.252711
- C149 : -85.570456 0.346528 183.851161
- C150 : -89.142301 34.562256 189.520226
- C151 : -69.702763 46.347046 163.488147
- C152 : -93.089016 53.385283 138.376457
- C153 : -70.186885 65.764401 115.411614
- F1219 : 25.781293 -9.900267 72.746683
- D1220 : 46.935215 -25.119499 89.632720
- D1221 : 16.861600 -35.953494 59.606372
- D1222 : 8.052926 6.657004 53.696183
- D1223 : 37.590213 17.203515 84.009945
- N1224 : 30.909570 -27.273311 74.301012
- D1225 : 39.471972 -31.786096 82.122426
- D1226 : 39.364027 -44.484980 81.488239
- D1227 : 30.844019 -47.667578 72.716309
- D1228 : 25.692916 -36.836708 68.399408
- D1229 : 27.361446 -60.297000 68.896840
- D1230 : 46.709631 -52.912364 89.377165
- D1231 : 39.603053 -58.963913 99.702680
- D1232 : 33.198767 -49.275335 107.465598
- O1233 : 23.216560 -51.313300 111.753773
- O1234 : 39.066154 -40.265981 112.464042
- N1235 : 14.602193 -13.849126 59.510118
- D1236 : 11.918428 -25.289467 55.419390
- D1237 : 3.465882 -24.538890 46.287297
- D1238 : 1.236059 -12.035377 44.490386
- D1239 : 7.926869 -5.811573 52.897721
- D1240 : -1.593002 -35.599871 39.819731
- D1241 : -5.578990 -6.206876 35.685250
- D1242 : -10.900192 -12.051939 25.899141
- N1243 : 23.012564 8.669195 69.553339
- D1244 : 15.139723 13.411728 61.383461
- D1245 : 15.942523 26.059884 61.439435
- D1246 : 24.930067 28.988433 70.176483
- D1247 : 28.723236 18.102271 75.262516
- D1248 : 8.518633 34.293378 53.182923
- D1249 : 29.739837 40.242607 73.321456
- D1250 : 26.083464 51.156385 67.742071
- N1251 : 39.532323 -4.915388 84.643756
- D1252 : 42.625376 6.632644 88.140416
- D1253 : 52.196585 6.117243 96.326601
- D1254 : 55.372943 -5.957787 97.496411
- D1255 : 47.118726 -12.674755 90.595248
- D1256 : 57.823509 16.933014 102.670123
- D1257 : 66.275286 -10.646073 104.385307
- D1258 : 77.912051 -9.327572 97.009128
- D1259 : 88.755745 -13.599691 104.276167
- O1260 : 93.355321 -6.858365 111.899729
- O1261 : 91.826703 -24.991801 104.242670
- N731 : -7.039279 -14.890376 126.697165
- D733 : -12.624823 6.681889 129.778901
- O734 : -8.471805 16.964090 131.008271
- D735 : -10.799622 -2.037249 108.811714
- D736 : -2.134045 -8.072314 100.239622
- N737 : 0.560646 -19.800488 100.993374
- D738 : 5.014672 -2.938175 91.366321
- D739 : 9.338068 -22.153428 92.693502
- N740 : 12.224529 -11.897026 86.763656
- O741 : -21.389114 2.010388 136.468449
- O1262 : 40.007012 -7.429590 60.491542
- ; Bonds
- C1, C2
- C2, C3
- C3, C4
- C4, C5
- C5, C6
- C6, C7
- C7, C8
- C8, C9
- C9, C10
- C10, C11
- C11, C12
- C12, C13
- C13, C14
- C14, C15
- C15, C16
- C16, C17
- C17, C18
- C18, C19
- C19, C20
- C20, C21
- C21, C22
- C22, C23
- C23, C24
- C24, C25
- C25, C26
- C26, C27
- C27, C28
- C28, C29
- C29, C30
- C30, C31
- C31, C32
- C32, C33
- C33, C34
- C34, C35
- C35, C36
- C36, C37
- C37, C38
- C38, C39
- C39, C40
- C40, C41
- C41, C42
- C42, C43
- C43, C44
- C44, C45
- C45, C46
- C46, C47
- C47, C48
- C48, C49
- C49, C50
- C50, C51
- C51, C52
- C52, C53
- C53, C54
- C54, C55
- C55, C56
- C56, C57
- C57, C58
- C58, C59
- C59, C60
- C60, C61
- C61, C62
- C62, C63
- C63, C64
- C64, C65
- C65, C66
- C66, C67
- C67, C68
- C68, C69
- C69, C70
- C70, C71
- C71, C72
- C72, C73
- C73, C74
- C74, C75
- C75, C76
- C76, C77
- C77, C78
- C78, C79
- C79, C80
- C80, C81
- C81, C82
- C82, C83
- C83, C84
- C84, C85
- C85, C86
- C86, C87
- C87, C88
- C88, C89
- C89, C90
- C90, C91
- C91, C92
- C92, C93
- C93, C94
- C95, C96
- C96, C97
- C97, C98
- C98, C99
- C99, C100
- C100, C101
- C101, C102
- C102, C103
- C103, C104
- C104, C105
- C105, C106
- C106, C107
- C107, C108
- C108, C109
- C109, C110
- C110, C111
- C111, C112
- C112, C113
- C113, C114
- C114, C115
- C115, C116
- C116, C117
- C117, C118
- C118, C119
- C119, C120
- C120, C121
- C121, C122
- C122, C123
- C123, C124
- C124, C125
- C125, C126
- C126, C127
- C127, C128
- C128, C129
- C129, C130
- C130, C131
- C131, C132
- C132, C133
- C133, C134
- C134, C135
- C135, C136
- C136, C137
- C137, C138
- C138, C139
- C139, C140
- C140, C141
- C141, C142
- C142, C143
- C143, C144
- C144, C145
- C145, C146
- C146, C147
- C147, C148
- C148, C149
- C149, C150
- C150, C151
- C151, C152
- C152, C153
- C93, D735
- D735, D736
- D736, N737
- D736, D738
- N737, D739
- D738, N740
- N740, D739
- N740, F1219
- F1219, O1262
- F1219, N1224
- F1219, N1235
- F1219, N1243
- F1219, N1251
- D1220, D1225
- D1220, D1255
- D1221, D1228
- D1221, D1236
- D1222, D1239
- D1222, D1244
- D1223, D1247
- D1223, D1252
- N1224, D1225
- N1224, D1228
- D1225, D1226
- D1226, D1227
- D1226, D1230
- D1227, D1228
- D1227, D1229
- D1230, D1231
- D1231, D1232
- D1232, O1233
- D1232, O1234
- N1235, D1236
- N1235, D1239
- D1236, D1237
- D1237, D1238
- D1237, D1240
- D1238, D1239
- D1238, D1241
- D1241, D1242
- N1243, D1244
- N1243, D1247
- D1244, D1245
- D1245, D1246
- D1245, D1248
- D1246, D1247
- D1246, D1249
- D1249, D1250
- N1251, D1252
- N1251, D1255
- D1252, D1253
- D1253, D1254
- D1253, D1256
- D1254, D1255
- D1254, D1257
- D1257, D1258
- D1258, D1259
- D1259, O1260
- D1259, O1261
- ••Myoglobin with Heme
- ••The grey atoms are the alpha carbons of the polypeptide chain. The colors represent the heme prosthetic group.