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Text File | 1992-02-27 | 16.4 KB | 653 lines | [TEXT/MOLE] |
- ; Stick colour
- 2(0.700000, 0.700000, 0.700000)
- ; Model
- BS
- ; Definitions
- C = 10.648610, 4.259444(0.500000, 0.500000, 0.500000)
- D = 10.648610, 4.259444(0.000000, 1.000000, 0.000000)
- N = 10.648610, 4.259444(0.000000, 0.000000, 1.000000)
- O = 9.938703, 3.975481(1.000000, 0.000000, 0.000000)
- P = 14.908054, 5.253314(0.850000, 0.850000, 0.000000)
- ; Instances
- N4321 : -31.647322 -67.733627 69.139278
- D4322 : -40.266300 -65.134505 71.117342
- N4323 : -47.327989 -72.553721 73.360732
- N4324 : -42.467806 -55.826461 71.159761
- D4325 : -36.625768 -48.991730 69.113324
- O4326 : -39.148110 -40.488358 69.247898
- D4327 : -27.497429 -51.468217 68.923938
- D4328 : -20.754305 -44.427608 69.039652
- D4329 : -11.397920 -47.148403 68.621133
- D4330 : -8.984114 -57.166511 67.197415
- D4331 : -15.746414 -63.647397 66.490461
- D4332 : -25.117078 -60.893596 67.626525
- D4333 : -3.329633 -40.268644 68.635698
- N4334 : -4.363206 -30.374832 72.749596
- D4335 : -4.163085 -22.366493 66.021406
- D4336 : -14.420676 -21.140242 62.279232
- D4337 : -22.052952 -20.183664 59.140555
- D4338 : -9.350775 -29.641240 81.886145
- D4339 : -9.442486 -37.273757 88.066823
- D4340 : -14.316518 -36.589337 96.725239
- D4341 : -18.877469 -28.330362 98.878047
- D4342 : -19.169350 -20.567774 92.807717
- D4343 : -14.221559 -21.375109 84.187046
- D4344 : -23.661814 -27.947059 108.832063
- O4345 : -23.858531 -34.059700 115.024177
- N4346 : -24.846455 -19.257062 112.108873
- D4347 : -27.880612 -12.995956 119.480718
- D4348 : -24.218019 -16.348485 129.429344
- O4349 : -28.689215 -23.541797 132.940695
- O4350 : -17.363317 -10.776517 132.034927
- D4351 : -38.577503 -9.988991 120.708186
- D4352 : -39.337958 -0.321722 115.929252
- D4353 : -42.315179 -4.018133 104.852359
- O4354 : -37.268578 3.049167 100.270877
- O4355 : -48.604071 -11.854036 104.538412
- P4301 : -43.229399 -91.707352 26.688388
- O4302 : -46.719576 -101.618394 28.039163
- O4303 : -50.948668 -85.698457 21.012285
- O4304 : -33.307747 -91.582886 21.682233
- O4305 : -41.559174 -86.899526 36.458821
- D4306 : -38.050487 -78.709411 39.081199
- D4307 : -43.532038 -73.163972 45.324032
- D4308 : -53.431628 -69.199532 42.719883
- O4309 : -59.305807 -68.749571 50.910896
- D4310 : -51.231368 -59.278501 38.672289
- D4311 : -42.331230 -56.334149 45.486184
- O4312 : -38.390097 -65.445441 49.150075
- N4313 : -36.088400 -49.863292 43.284800
- D4314 : -38.269756 -40.300898 41.173329
- O4315 : -45.761256 -37.258914 42.491775
- N4316 : -31.130266 -33.746660 40.936102
- D4317 : -21.641709 -35.802508 41.759757
- O4318 : -15.610135 -30.584517 38.526950
- D4319 : -19.998629 -46.012297 43.429062
- D4320 : -27.112866 -52.443658 39.739072
- C2 : -98.849938 70.755796 65.763786
- C10 : -120.390754 74.852067 50.148169
- C19 : -113.102245 57.778028 30.675897
- C28 : -104.086393 37.292720 46.031351
- C40 : -126.507153 38.737120 61.737242
- C48 : -142.577328 37.193792 39.825806
- C57 : -127.891961 16.113740 30.965610
- C65 : -130.813540 4.054406 55.234310
- C73 : -158.043359 7.594219 53.506235
- C82 : -157.852853 -2.037393 28.030786
- C91 : -146.171219 -25.411521 35.915501
- C98 : -164.852334 -28.011321 55.444455
- C106 : -185.212477 -21.375381 38.702072
- C114 : -176.496066 -34.855028 17.145117
- C123 : -158.497003 -53.312354 26.111162
- C127 : -162.035465 -79.945236 23.372369
- C134 : -153.994323 -97.769386 41.872170
- C143 : -132.161636 -110.884390 32.563004
- C152 : -114.389201 -128.364249 43.288410
- C160 : -88.466362 -121.560302 42.143947
- C168 : -64.514453 -133.486495 44.298684
- C179 : -60.154610 -123.446737 69.250395
- C186 : -81.851324 -138.062333 76.487027
- C190 : -93.724373 -115.627336 86.643234
- C197 : -113.974762 -110.012861 69.350847
- C201 : -118.492025 -85.569619 58.835819
- C208 : -138.209245 -70.185813 49.582029
- C216 : -128.248239 -62.557822 25.187323
- C222 : -134.221676 -48.487496 2.754599
- C230 : -119.716745 -48.745575 -20.243379
- C241 : -111.104081 -26.518657 -32.456618
- C245 : -112.739776 -1.898111 -21.857829
- C255 : -100.005933 21.433364 -27.594808
- C264 : -95.624128 43.011582 -11.998325
- C272 : -81.594954 65.882778 -15.751690
- C283 : -68.951486 82.108002 1.296124
- C294 : -60.682458 107.169899 -5.900373
- C302 : -38.032741 109.348339 7.766758
- C310 : -41.472103 135.583226 6.860101
- C319 : -62.525345 132.883298 23.899602
- C327 : -46.236151 123.308730 43.455188
- C331 : -31.713573 101.141386 49.352294
- C342 : -47.489575 79.471212 48.600389
- C349 : -42.934613 69.287152 73.372910
- C357 : -65.456346 59.332111 85.114899
- C364 : -76.169390 74.233081 105.025147
- C371 : -96.195455 57.980294 113.714357
- C378 : -78.046779 42.254271 125.808149
- C387 : -53.172218 49.379762 133.361836
- C398 : -33.664591 41.806615 116.064243
- C404 : -7.214241 40.112925 120.424520
- C414 : 8.204631 52.022465 101.721199
- C422 : 30.709016 41.384752 112.561554
- C433 : 25.573864 17.078842 100.871758
- C439 : 16.042019 26.252918 77.189654
- C447 : 38.423348 40.876929 74.239784
- C455 : 55.577595 21.307319 81.170494
- C465 : 43.664323 2.821153 65.168178
- C474 : 45.698109 20.204394 44.341670
- C482 : 72.143597 26.303835 48.210693
- C490 : 76.789293 -0.380676 49.365512
- C504 : 64.872256 -5.672217 25.301700
- C515 : 78.516235 15.057963 14.124494
- C523 : 100.803638 3.128599 24.280301
- C532 : 95.363775 -20.293136 10.294490
- C536 : 95.527951 -32.290550 34.673799
- C544 : 80.065986 -53.714698 40.173929
- C551 : 90.461098 -61.916242 64.115739
- C559 : 78.091111 -51.727995 85.936666
- C567 : 99.409771 -45.540109 100.913462
- C572 : 98.742384 -20.108054 92.239877
- C584 : 73.001255 -20.256753 99.376494
- C592 : 80.410852 -29.360419 123.832696
- C602 : 100.792594 -11.499913 126.982230
- C611 : 79.897374 6.045769 125.799455
- C619 : 61.756227 -6.590570 141.033347
- C627 : 45.904246 -13.016891 120.301362
- C634 : 34.938865 -37.354005 122.199694
- C641 : 15.267775 -36.854344 102.951825
- C649 : 27.499925 -56.488722 89.405477
- C663 : 36.409364 -73.711704 108.478629
- C671 : 15.791900 -91.139668 104.968502
- C680 : 24.484898 -97.365216 80.221143
- C694 : 51.244526 -97.233290 82.634572
- C699 : 65.604434 -120.126289 83.677182
- C707 : 83.509049 -126.379726 102.976101
- C716 : 101.376272 -110.097036 91.625171
- C724 : 84.566839 -89.249459 88.772500
- C728 : 80.915115 -92.529094 62.356259
- C736 : 58.337106 -88.306137 48.720718
- C744 : 68.047126 -96.757417 25.088405
- C748 : 68.805033 -80.614686 3.230841
- C755 : 47.460422 -64.514417 9.736793
- C762 : 44.041901 -38.335680 4.448709
- C774 : 68.693103 -27.995856 9.460764
- C778 : 80.603144 -46.461628 -6.695144
- C787 : 63.337772 -43.932183 -27.503054
- C796 : 64.113200 -16.984473 -25.824819
- C810 : 90.879886 -15.601143 -27.211712
- C821 : 99.695171 -38.269119 -39.086352
- C826 : 81.207603 -51.504914 -53.460799
- C840 : 95.131451 -72.444472 -63.606563
- C847 : 93.459451 -75.349460 -90.925002
- C854 : 95.772103 -99.282618 -103.572365
- C861 : 119.757515 -92.564252 -114.825969
- C869 : 132.142663 -86.200028 -91.620562
- C873 : 126.639329 -59.863725 -87.851197
- C884 : 113.997517 -47.446375 -67.784107
- C894 : 98.034771 -26.355622 -72.490166
- C902 : 97.069156 -6.069621 -54.201075
- C910 : 71.163799 1.444525 -57.506395
- C919 : 73.456377 22.406858 -41.015864
- C927 : 93.488482 34.661013 -53.808517
- C934 : 81.798108 28.448838 -77.604089
- C941 : 58.914148 41.155154 -70.313986
- C948 : 74.224600 62.264285 -62.585592
- C956 : 86.707902 63.259116 -87.054253
- C964 : 62.447329 63.201979 -99.782325
- C973 : 52.827154 82.109153 -83.387143
- C981 : 74.198495 96.922012 -89.914357
- C990 : 76.005714 92.013781 -116.543588
- C998 : 51.107771 84.690035 -124.964241
- C1006 : 33.070795 89.970718 -105.433583
- C1013 : 15.641209 85.666078 -125.319630
- C1021 : 20.365116 58.971882 -129.431001
- C1027 : -0.981490 43.219516 -124.700447
- C1038 : 16.061978 24.269762 -114.228861
- C1049 : 24.580749 35.809847 -90.830832
- C1057 : 20.100474 12.780949 -77.170174
- C1065 : 31.182597 -1.019093 -56.146958
- C1072 : 21.904504 -26.425253 -52.225485
- C1078 : 26.043392 -42.573351 -31.029952
- C1083 : 13.025004 -62.482912 -44.338044
- C1097 : 33.934014 -78.393529 -51.730478
- C1105 : 21.857264 -101.643983 -58.995901
- C1112 : 45.635206 -114.712071 -59.586893
- C1116 : 51.007399 -109.744139 -33.360724
- C1125 : 26.625875 -110.337039 -22.481829
- C1133 : 32.456252 -134.852656 -12.236961
- C1141 : 53.512437 -125.102469 2.024668
- C1150 : 39.585239 -104.778624 13.707549
- C1158 : 30.879161 -106.666727 39.294025
- C1163 : 7.473563 -94.606964 31.379472
- C1171 : 0.377465 -87.377697 5.718418
- C1176 : 1.038476 -60.698957 1.355435
- C1183 : -22.375125 -48.931861 9.564778
- C1189 : -16.773063 -25.006851 -1.516569
- C1199 : -9.587485 -35.971795 -25.010028
- C1204 : -6.194230 -17.485088 -44.747506
- C1215 : -5.801728 9.739625 -46.655609
- C1226 : -4.524169 28.663932 -66.113067
- C1235 : 2.741510 54.990059 -65.026129
- C1246 : -8.486338 74.736702 -79.954554
- C1258 : -1.448604 100.792384 -83.110901
- C1265 : -19.611171 118.385481 -93.046985
- C1270 : -19.334266 143.817047 -84.716945
- C1278 : 4.631204 143.549274 -72.443563
- C1282 : -7.085386 126.850748 -54.392545
- C1291 : 0.477681 101.408612 -49.637547
- C1299 : -19.179367 82.616720 -46.159393
- C1305 : -18.077257 56.154432 -41.722323
- C1311 : -36.316254 36.015152 -44.350879
- C1320 : -31.243823 13.265549 -29.923470
- C1328 : -42.690445 -10.543599 -35.227265
- C1340 : -45.909241 -24.056994 -12.071291
- C1349 : -52.484166 -50.065586 -17.517034
- C1360 : -58.125079 -55.231855 8.316075
- C1366 : -67.157632 -38.479359 27.414865
- C1372 : -70.310374 -41.264764 54.120134
- C1380 : -86.579874 -19.558749 55.445943
- C1387 : -84.770114 -17.032415 82.079241
- C1398 : -58.364782 -20.722557 87.468519
- C1406 : -45.529374 -18.441120 63.916646
- C1410 : -56.583344 1.531642 49.358091
- C1418 : -52.095758 22.737740 65.482790
- C1425 : -26.178081 14.832551 65.517164
- C1436 : -24.934680 10.068589 38.624956
- C1444 : -35.672803 34.312353 33.103706
- C1452 : -19.630571 48.357542 49.981612
- C1457 : 1.773661 35.763049 38.528849
- C1463 : -3.315445 40.497581 12.459421
- C1475 : -9.271305 66.356854 18.756140
- C1480 : 15.154378 69.163662 30.347451
- C1488 : 26.098816 58.442331 8.286474
- C1496 : 13.250818 75.750613 -8.075736
- C1503 : 22.026316 96.548332 7.560792
- C1513 : 47.138732 85.988601 6.212265
- C1521 : 47.438727 84.078998 -20.564671
- C1529 : 35.089594 108.209319 -24.642392
- C1534 : 53.861189 120.133350 -8.808558
- C1543 : 73.427463 107.503333 -22.972713
- C1552 : 63.164444 115.824443 -46.075626
- C1558 : 56.914923 141.543703 -40.080252
- C1566 : 30.747960 134.895945 -44.193551
- C1574 : 8.422061 139.747103 -29.505039
- C1583 : -5.108456 118.693661 -18.718349
- C1590 : -27.139855 111.389124 -32.280232
- C1594 : -44.252473 91.534761 -27.415087
- C1602 : -40.425511 67.013915 -16.551537
- C1613 : -57.953307 49.130227 -27.957283
- C1620 : -62.050152 26.072838 -14.313530
- C1634 : -72.898254 5.634163 -28.634797
- C1641 : -79.428827 -17.607350 -16.485368
- C1645 : -82.237480 -43.725000 -22.273112
- C1649 : -92.003022 -59.287753 -2.162381
- C1657 : -98.258042 -39.323492 15.470639
- C1664 : -105.549638 -50.771345 38.824895
- C1674 : -110.677589 -48.746400 65.064141
- C1682 : -104.007493 -69.690109 80.661452
- C1694 : -121.922686 -81.171151 96.574965
- C1700 : -108.666660 -75.438310 119.088085
- C1708 : -110.078657 -49.268776 112.113487
- C1718 : -136.687276 -42.840481 110.451730
- C1726 : -137.792966 -31.997154 135.217810
- C1734 : -116.593340 -15.673573 130.623810
- C1743 : -127.584416 -10.126868 106.731719
- C1750 : -151.391483 -1.483922 117.566425
- C1760 : -138.510901 11.725316 137.419743
- C1768 : -123.061325 25.076766 119.138067
- C1777 : -143.948356 29.996094 103.149304
- C1785 : -156.983417 41.605804 123.862313
- C1791 : -138.126612 61.327381 122.032671
- C1802 : -135.469597 84.492080 108.740075
- C1811 : -112.408480 89.046584 95.706945
- C1818 : -96.965299 108.967849 104.688585
- C1829 : -84.371400 126.439273 87.936803
- C1836 : -64.014783 114.518444 74.446867
- C1844 : -38.616496 116.713455 83.720792
- C1851 : -18.968711 130.537807 70.562405
- C1860 : 4.228286 120.163388 62.459432
- C1868 : 27.083761 134.247326 64.394909
- C1876 : 51.446380 126.941922 54.378822
- C1884 : 72.362374 140.184216 65.385487
- C1893 : 90.216623 134.274390 46.291429
- C1909 : 94.206501 128.201037 20.612729
- C1913 : 111.892310 107.418672 20.760830
- C1920 : 127.821407 102.980300 -0.971132
- C1929 : 112.590775 81.361044 -6.884952
- C1935 : 89.929256 68.355083 -0.740729
- C1943 : 106.265679 49.547916 10.941307
- C1954 : 116.028650 68.117119 28.166157
- C1962 : 94.094810 74.792060 42.991250
- C1974 : 95.608891 72.164935 69.958054
- C1985 : 75.691063 66.555803 87.644988
- C1996 : 79.119011 91.399560 98.208353
- C2005 : 76.474044 104.624811 74.885724
- C2013 : 49.867404 102.393659 78.168586
- C2024 : 32.433719 115.397621 94.091033
- C2033 : 5.495542 111.911621 95.871421
- C2041 : -7.417328 133.614494 104.449717
- C2050 : -32.895870 135.672586 112.681094
- C2054 : -38.668501 109.559958 117.487178
- C2066 : -57.830056 107.060384 136.497531
- C2074 : -68.228379 82.614932 133.538169
- C2081 : -87.951441 70.047851 146.358180
- C2091 : -79.976709 50.013350 162.265382
- C2098 : -66.344448 29.161617 152.083506
- C2102 : -80.225525 5.705067 149.128250
- C2110 : -68.793193 -18.890303 152.081142
- C2119 : -73.358797 -39.754086 135.127367
- C2124 : -60.038782 -63.300651 131.333757
- C2131 : -46.245334 -67.553359 108.133688
- C2138 : -52.426464 -89.893192 93.818852
- C2143 : -33.221263 -108.432257 89.282436
- ; Bonds
- C2, C10
- C10, C19
- C19, C28
- C28, C40
- C40, C48
- C48, C57
- C57, C65
- C65, C73
- C73, C82
- C82, C91
- C91, C98
- C98, C106
- C106, C114
- C114, C123
- C123, C127
- C127, C134
- C134, C143
- C143, C152
- C152, C160
- C160, C168
- C168, C179
- C179, C186
- C186, C190
- C190, C197
- C197, C201
- C201, C208
- C208, C216
- C216, C222
- C222, C230
- C230, C241
- C241, C245
- C245, C255
- C255, C264
- C264, C272
- C272, C283
- C283, C294
- C294, C302
- C302, C310
- C310, C319
- C319, C327
- C327, C331
- C331, C342
- C342, C349
- C349, C357
- C357, C364
- C364, C371
- C371, C378
- C378, C387
- C387, C398
- C398, C404
- C404, C414
- C414, C422
- C422, C433
- C433, C439
- C439, C447
- C447, C455
- C455, C465
- C465, C474
- C474, C482
- C482, C490
- C490, C504
- C504, C515
- C515, C523
- C523, C532
- C532, C536
- C536, C544
- C544, C551
- C551, C559
- C559, C567
- C567, C572
- C572, C584
- C584, C592
- C592, C602
- C602, C611
- C611, C619
- C619, C627
- C627, C634
- C634, C641
- C641, C649
- C649, C663
- C663, C671
- C671, C680
- C680, C694
- C694, C699
- C699, C707
- C707, C716
- C716, C724
- C724, C728
- C728, C736
- C736, C744
- C744, C748
- C748, C755
- C755, C762
- C762, C774
- C774, C778
- C778, C787
- C787, C796
- C796, C810
- C810, C821
- C821, C826
- C826, C840
- C840, C847
- C847, C854
- C854, C861
- C861, C869
- C869, C873
- C873, C884
- C884, C894
- C894, C902
- C902, C910
- C910, C919
- C919, C927
- C927, C934
- C934, C941
- C941, C948
- C948, C956
- C956, C964
- C964, C973
- C973, C981
- C981, C990
- C990, C998
- C998, C1006
- C1006, C1013
- C1013, C1021
- C1021, C1027
- C1027, C1038
- C1038, C1049
- C1049, C1057
- C1057, C1065
- C1065, C1072
- C1072, C1078
- C1078, C1083
- C1083, C1097
- C1097, C1105
- C1105, C1112
- C1112, C1116
- C1116, C1125
- C1125, C1133
- C1133, C1141
- C1141, C1150
- C1150, C1158
- C1158, C1163
- C1163, C1171
- C1171, C1176
- C1176, C1183
- C1183, C1189
- C1189, C1199
- C1199, C1204
- C1204, C1215
- C1215, C1226
- C1226, C1235
- C1235, C1246
- C1246, C1258
- C1258, C1265
- C1265, C1270
- C1270, C1278
- C1278, C1282
- C1282, C1291
- C1291, C1299
- C1299, C1305
- C1305, C1311
- C1311, C1320
- C1320, C1328
- C1328, C1340
- C1340, C1349
- C1349, C1360
- C1360, C1366
- C1366, C1372
- C1372, C1380
- C1380, C1387
- C1387, C1398
- C1398, C1406
- C1406, C1410
- C1410, C1418
- C1418, C1425
- C1425, C1436
- C1436, C1444
- C1444, C1452
- C1452, C1457
- C1457, C1463
- C1463, C1475
- C1475, C1480
- C1480, C1488
- C1488, C1496
- C1496, C1503
- C1503, C1513
- C1513, C1521
- C1521, C1529
- C1529, C1534
- C1534, C1543
- C1543, C1552
- C1552, C1558
- C1558, C1566
- C1566, C1574
- C1574, C1583
- C1583, C1590
- C1590, C1594
- C1594, C1602
- C1602, C1613
- C1613, C1620
- C1620, C1634
- C1634, C1641
- C1641, C1645
- C1645, C1649
- C1649, C1657
- C1657, C1664
- C1664, C1674
- C1674, C1682
- C1682, C1694
- C1694, C1700
- C1700, C1708
- C1708, C1718
- C1718, C1726
- C1726, C1734
- C1734, C1743
- C1743, C1750
- C1750, C1760
- C1760, C1768
- C1768, C1777
- C1777, C1785
- C1785, C1791
- C1791, C1802
- C1802, C1811
- C1811, C1818
- C1818, C1829
- C1829, C1836
- C1836, C1844
- C1844, C1851
- C1851, C1860
- C1860, C1868
- C1868, C1876
- C1876, C1884
- C1884, C1893
- C1893, C1909
- C1909, C1913
- C1913, C1920
- C1920, C1929
- C1929, C1935
- C1935, C1943
- C1943, C1954
- C1954, C1962
- C1962, C1974
- C1974, C1985
- C1985, C1996
- C1996, C2005
- C2005, C2013
- C2013, C2024
- C2024, C2033
- C2033, C2041
- C2041, C2050
- C2050, C2054
- C2054, C2066
- C2066, C2074
- C2074, C2081
- C2081, C2091
- C2091, C2098
- C2098, C2102
- C2102, C2110
- C2110, C2119
- C2119, C2124
- C2124, C2131
- C2131, C2138
- C2138, C2143
- P4301, O4302
- P4301, O4303
- P4301, O4304
- P4301, O4305
- O4305, D4306
- D4306, D4307
- D4307, D4308
- D4307, O4312
- D4308, O4309
- D4308, D4310
- D4310, D4311
- D4311, O4312
- D4311, N4313
- N4313, D4314
- D4314, O4315
- D4314, N4316
- N4316, D4317
- D4317, O4318
- D4317, D4319
- D4319, D4320
- D4320, N4313
- N4321, D4322
- N4321, D4332
- D4322, N4324
- D4322, N4323
- N4324, D4325
- D4325, O4326
- D4325, D4327
- D4327, D4328
- D4327, D4332
- D4328, D4329
- D4329, D4330
- D4329, D4333
- D4330, D4331
- D4331, D4332
- D4333, N4334
- N4334, D4335
- N4334, D4338
- D4335, D4336
- D4336, D4337
- D4338, D4339
- D4339, D4340
- D4340, D4341
- D4341, D4342
- D4341, D4344
- D4342, D4343
- D4343, D4338
- D4344, O4345
- D4344, N4346
- N4346, D4347
- D4347, D4348
- D4347, D4351
- D4348, O4349
- D4348, O4350
- D4351, D4352
- D4352, D4353
- D4353, O4354
- D4353, O4355
-