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Text File | 1992-02-27 | 27.3 KB | 1,134 lines | [TEXT/MOLE] |
- ; Stick colour
- 2(0.700000, 0.700000, 0.700000)
- ; Model
- BS
- ; Definitions
- C = 10.548636, 4.219454(0.500000, 0.500000, 0.500000)
- N = 10.548636, 4.219454(0.000000, 0.000000, 1.000000)
- O = 9.845393, 3.938158(1.000000, 0.000000, 0.000000)
- P = 14.768090, 5.203993(0.850000, 0.850000, 0.000000)
- ; Instances
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- O1489 : -21.086060 14.483175 75.023406
- C1490 : -29.831941 18.692011 77.722319
- C1491 : -37.008968 18.095986 69.720372
- O1492 : -33.906441 23.528335 61.795988
- C1493 : -38.734003 8.326756 65.748691
- O1494 : -44.976755 3.021411 71.473700
- C1495 : -42.693556 10.506158 56.019573
- O1496 : -52.248232 13.330318 56.655171
- C1497 : -37.034440 19.261437 53.270211
- N1498 : -28.691076 17.165576 47.401925
- C1499 : -30.098924 16.163535 37.885298
- O1500 : -37.808345 16.850754 34.179733
- N1501 : -22.174684 14.255019 32.677134
- C1502 : -13.090977 13.251493 36.074197
- O1503 : -6.550219 11.594032 30.687813
- C1504 : -12.299941 14.434209 46.127549
- C1505 : -19.907026 16.352488 51.382975
- P1506 : -49.289585 -6.844287 68.764551
- O1507 : -41.669165 -13.941769 67.916605
- O1508 : -56.786417 -9.111454 75.671515
- O1509 : -53.778210 -4.975379 58.645367
- C1510 : -63.534335 -7.494264 57.496658
- C1511 : -66.629414 -7.385517 47.195119
- O1512 : -60.830604 -0.695553 41.892455
- C1513 : -65.294523 -16.524678 41.853014
- O1514 : -72.556098 -23.108141 43.816273
- C1515 : -65.222056 -13.194401 31.660840
- O1516 : -74.464843 -10.915579 28.635652
- C1517 : -59.802562 -3.900413 32.434004
- N1518 : -49.646555 -4.790450 30.354169
- C1519 : -46.940200 -5.528148 20.992918
- O1520 : -53.099100 -5.387647 14.854960
- N1521 : -37.620618 -6.303741 18.894645
- C1522 : -31.167181 -6.408914 25.730713
- N1523 : -22.213869 -7.151799 23.378619
- C1524 : -33.793507 -5.681272 35.484110
- C1525 : -43.078113 -4.885377 37.395802
- P1526 : -69.760367 -34.016563 43.647527
- O1527 : -60.269843 -35.217223 47.831491
- O1528 : -77.358773 -39.679050 48.040792
- O1529 : -69.261331 -36.109624 32.619474
- C1530 : -77.908194 -36.459415 27.406613
- C1531 : -75.916699 -37.627483 16.895745
- O1532 : -70.408704 -29.133335 13.962943
- C1533 : -69.450240 -45.714026 14.274798
- O1534 : -74.428414 -54.342539 13.370241
- C1535 : -65.177801 -42.286044 5.063456
- O1536 : -71.884886 -42.763372 -2.311873
- C1537 : -63.556255 -31.841673 7.140494
- N1538 : -54.100010 -29.730318 10.970691
- C1539 : -51.533209 -27.061236 19.946854
- N1540 : -42.485826 -25.691713 21.023454
- C1541 : -38.760677 -27.554763 12.145289
- C1542 : -29.317127 -27.281793 9.000596
- O1543 : -22.141664 -25.232130 13.404018
- N1544 : -28.659799 -29.717631 -0.564010
- C1545 : -36.223945 -32.078976 -6.261663
- N1546 : -34.040236 -34.162124 -15.153744
- N1547 : -45.033372 -32.370869 -3.282180
- C1548 : -45.742852 -30.022156 5.967102
- P1549 : -69.405342 -63.557675 17.988522
- O1550 : -63.868655 -60.757406 26.399913
- O1551 : -76.485673 -71.061748 19.560894
- O1552 : -62.379645 -66.520706 9.743236
- C1553 : -66.408422 -65.044663 0.312128
- C1554 : -58.872940 -64.656298 -7.352345
- O1555 : -53.076526 -56.015970 -6.113676
- C1556 : -51.416136 -72.301909 -6.924229
- O1557 : -54.748532 -80.990820 -10.592766
- C1558 : -43.466731 -68.008260 -12.682716
- O1559 : -45.680997 -68.198073 -22.426208
- C1560 : -43.807749 -57.695853 -9.583394
- N1561 : -36.998355 -55.343709 -2.068124
- C1562 : -27.612701 -54.269418 -4.565018
- O1563 : -25.391123 -55.293642 -12.899295
- N1564 : -21.209359 -52.046556 2.216242
- C1565 : -23.906638 -50.979167 11.157577
- N1566 : -17.472529 -48.788062 17.499300
- C1567 : -33.588328 -52.057228 13.930950
- C1568 : -39.818200 -54.231804 7.079583
- P1569 : -50.827570 -90.458037 -5.828419
- O1570 : -52.873872 -90.431164 4.409118
- O1571 : -54.432329 -98.709562 -11.115418
- O1572 : -39.758802 -89.383504 -7.399084
- C1573 : -36.404287 -90.128428 -16.966700
- C1574 : -25.650623 -90.011869 -16.999261
- O1575 : -22.530508 -80.576033 -14.452586
- C1576 : -20.924582 -96.333955 -9.791497
- O1577 : -20.224930 -105.779613 -13.002824
- C1578 : -11.418854 -91.566969 -8.502639
- O1579 : -5.442668 -93.426791 -16.264826
- C1580 : -14.086939 -81.139291 -9.048242
- N1581 : -15.827696 -76.750697 0.225958
- C1582 : -24.248919 -74.443036 4.211244
- N1583 : -23.476011 -70.600093 12.458545
- C1584 : -13.874700 -70.381832 14.069810
- C1585 : -8.391396 -67.136700 21.642522
- N1586 : -12.125903 -63.323357 29.454353
- N1587 : 0.978630 -67.960398 20.929685
- C1588 : 4.633443 -71.822852 13.190872
- N1589 : 0.257217 -75.092835 5.641421
- C1590 : -9.070369 -74.095513 6.633174
- P1591 : -17.736955 -113.887362 -5.658777
- O1592 : -25.105193 -114.430080 1.722064
- O1593 : -15.966327 -122.735963 -10.888646
- O1594 : -8.192702 -110.097591 -1.113660
- C1595 : 0.522042 -113.596808 -5.055088
- C1596 : 8.822598 -109.669698 0.552855
- O1597 : 6.538786 -100.170883 3.470885
- C1598 : 11.126058 -114.785826 9.641923
- O1599 : 16.858877 -122.806338 8.060864
- C1600 : 15.984159 -107.135420 15.377836
- O1601 : 25.332026 -105.723357 12.172159
- C1602 : 10.370904 -98.383022 12.566890
- N1603 : 2.549435 -96.166008 19.053777
- C1604 : 4.784791 -92.981657 28.014066
- O1605 : 13.177105 -92.120395 30.155157
- N1606 : -2.289161 -90.839389 34.115819
- C1607 : -11.276889 -91.850559 31.524758
- N1608 : -17.921737 -89.666394 37.644183
- C1609 : -13.793269 -95.150703 22.274686
- C1610 : -6.648941 -97.193460 16.363410
- P1611 : 12.318023 -133.006336 8.916077
- O1612 : 3.092196 -133.215489 4.028779
- O1613 : 19.222518 -140.179485 5.762030
- O1614 : 10.675876 -133.832693 19.993470
- C1615 : 17.956497 -138.074199 25.480678
- C1616 : 18.369797 -134.203936 35.415572
- O1617 : 15.037775 -124.652852 35.912070
- C1618 : 11.436103 -139.328838 41.924732
- O1619 : 15.288808 -147.866997 45.668104
- C1620 : 9.908582 -131.823670 49.526989
- O1621 : 16.928291 -131.321739 56.641022
- C1622 : 9.093464 -122.966455 43.753604
- N1623 : -0.462044 -120.596704 40.345980
- C1624 : -6.720935 -116.985400 46.838022
- O1625 : -4.062106 -115.726007 55.015943
- N1626 : -15.589320 -114.796849 43.941317
- C1627 : -18.194458 -116.265159 35.010954
- N1628 : -26.850138 -114.012439 32.500642
- C1629 : -11.778762 -120.123721 28.188492
- C1630 : -3.010119 -122.203501 31.237104
- P1631 : 16.621321 -156.673998 38.882673
- O1632 : 14.260139 -165.426470 44.054277
- O1633 : 11.288889 -155.118591 30.034055
- O1634 : 27.662132 -156.421460 36.841744
- C1635 : 30.813451 -153.221660 27.783989
- C1636 : 41.534102 -152.317520 27.729680
- O1637 : 45.338193 -159.947998 33.397958
- C1638 : 46.198497 -152.977656 18.139054
- O1639 : 46.894080 -144.050823 13.701026
- C1640 : 55.706048 -157.279956 20.556893
- O1641 : 61.800988 -150.395499 24.474593
- C1642 : 53.107420 -164.038951 28.539270
- N1643 : 50.301544 -173.510000 25.254618
- C1644 : 55.548925 -179.876031 20.344393
- N1645 : 51.084041 -187.611982 18.413376
- C1646 : 42.277834 -186.287684 22.341161
- C1647 : 34.169656 -191.951207 22.752214
- N1648 : 33.711091 -200.602052 18.953556
- N1649 : 26.609832 -188.441696 27.173403
- C1650 : 27.131704 -179.880758 30.996940
- N1651 : 34.282639 -173.897277 31.068915
- C1652 : 41.663446 -177.658014 26.533293
- ; 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
- O76, P91
- P91, O92
- P91, O93
- P91, O94
- O94, C95
- C95, C96
- C96, O97
- C96, C98
- O97, C102
- C98, C100
- C98, O99
- C100, O101
- C100, C102
- C102, N103
- N103, C104
- N103, C112
- C104, N105
- N105, C106
- C106, C107
- C106, C112
- C107, N108
- C107, N109
- N109, C110
- C110, N111
- N111, C112
- O99, P113
- P113, O114
- P113, O115
- P113, O116
- O116, C117
- C117, C118
- C118, O119
- C118, C120
- O119, C124
- C120, C122
- C120, O121
- C122, O123
- C122, C124
- C124, N125
- N125, C126
- C126, O127
- C126, N128
- N128, C129
- C129, O130
- C129, C131
- C131, C132
- N125, C132
- O121, P133
- P133, O134
- P133, O135
- P133, O136
- O136, C137
- C137, C138
- C138, O139
- C138, C140
- O139, C144
- C140, C142
- C140, O141
- C142, O143
- C142, C144
- C144, N145
- N145, C146
- C146, O147
- C146, N148
- N148, C149
- C149, O150
- C149, C151
- C151, C152
- N145, C152
- P1275, O1260
- P1275, O1276
- P1275, O1277
- P1275, O1278
- O1278, C1279
- C1279, C1280
- C1280, O1281
- C1280, C1282
- O1281, C1286
- C1282, C1284
- C1282, O1283
- C1284, O1285
- C1284, C1286
- C1286, N1287
- N1287, C1288
- C1288, O1289
- C1288, N1290
- N1290, C1291
- C1291, O1292
- C1291, C1293
- C1293, C1294
- N1287, C1294
- P1295, O1283
- P1295, O1296
- P1295, O1297
- P1295, O1298
- O1298, C1299
- C1299, C1300
- C1300, O1301
- C1300, C1302
- O1301, C1306
- C1302, C1304
- C1302, O1303
- C1304, O1305
- C1304, C1306
- C1306, N1307
- N1307, C1308
- C1308, O1309
- C1308, N1310
- N1310, C1311
- C1311, N1312
- C1311, C1313
- C1313, C1314
- N1307, C1314
- P1315, O1303
- P1315, O1316
- P1315, O1317
- P1315, O1318
- O1318, C1319
- C1319, C1320
- C1320, O1321
- C1320, C1322
- O1321, C1326
- C1322, C1324
- C1322, O1323
- C1324, O1325
- C1324, C1326
- C1326, N1327
- N1327, C1328
- C1328, O1329
- C1328, N1330
- N1330, C1331
- C1331, N1332
- C1331, C1333
- C1333, C1334
- N1327, C1334
- P1335, O1323
- P1335, O1336
- P1335, O1337
- P1335, O1338
- O1338, C1339
- C1339, C1340
- C1340, O1341
- C1340, C1342
- O1341, C1346
- C1342, C1344
- C1342, O1343
- C1344, O1345
- C1344, C1346
- C1346, N1347
- N1347, C1348
- N1347, C1356
- C1348, N1349
- N1349, C1350
- C1350, C1351
- C1350, C1356
- C1351, N1352
- C1351, N1353
- N1353, C1354
- C1354, N1355
- N1355, C1356
- P1357, O1343
- P1357, O1358
- P1357, O1359
- P1357, O1360
- O1360, C1361
- C1361, C1362
- C1362, O1363
- C1362, C1364
- O1363, C1368
- C1364, C1366
- C1364, O1365
- C1366, O1367
- C1366, C1368
- C1368, N1369
- N1369, C1370
- C1370, O1371
- C1370, N1372
- N1372, C1373
- C1373, N1374
- C1373, C1375
- C1375, C1376
- N1369, C1376
- P1377, O1365
- P1377, O1378
- P1377, O1379
- P1377, O1380
- O1380, C1381
- C1381, C1382
- C1382, O1383
- C1382, C1384
- O1383, C1388
- C1384, C1386
- C1384, O1385
- C1386, O1387
- C1386, C1388
- C1388, N1389
- N1389, C1390
- N1389, C1398
- C1390, N1391
- N1391, C1392
- C1392, C1393
- C1392, C1398
- C1393, N1394
- C1393, N1395
- N1395, C1396
- C1396, N1397
- N1397, C1398
- P1399, O1385
- P1399, O1400
- P1399, O1401
- P1399, O1402
- O1402, C1403
- C1403, C1404
- C1404, O1405
- C1404, C1406
- O1405, C1410
- C1406, C1408
- C1406, O1407
- C1408, O1409
- C1408, C1410
- C1410, N1411
- N1411, C1412
- N1411, C1421
- C1412, N1413
- N1413, C1414
- C1414, C1415
- C1414, C1421
- C1415, O1416
- C1415, N1417
- N1417, C1418
- C1418, N1419
- C1418, N1420
- N1420, C1421
- P1422, O1407
- P1422, O1423
- P1422, O1424
- P1422, O1425
- O1425, C1426
- C1426, C1427
- C1427, O1428
- C1427, C1429
- O1428, C1433
- C1429, C1431
- C1429, O1430
- C1431, O1432
- C1431, C1433
- C1433, N1434
- N1434, C1435
- N1434, C1443
- C1435, N1436
- N1436, C1437
- C1437, C1438
- C1437, C1443
- C1438, N1439
- C1438, N1440
- N1440, C1441
- C1441, N1442
- N1442, C1443
- P1444, O1430
- P1444, O1445
- P1444, O1446
- P1444, O1447
- O1447, C1448
- C1448, C1449
- C1449, O1450
- C1449, C1451
- O1450, C1455
- C1451, C1453
- C1451, O1452
- C1453, O1454
- C1453, C1455
- C1455, N1456
- N1456, C1457
- N1456, C1465
- C1457, N1458
- N1458, C1459
- C1459, C1460
- C1459, C1465
- C1460, N1461
- C1460, N1462
- N1462, C1463
- C1463, N1464
- N1464, C1465
- P1466, O1452
- P1466, O1467
- P1466, O1468
- P1466, O1469
- O1469, C1470
- C1470, C1471
- C1471, O1472
- C1471, C1473
- O1472, C1477
- C1473, C1475
- C1473, O1474
- C1475, O1476
- C1475, C1477
- C1477, N1478
- N1478, C1479
- C1479, O1480
- C1479, N1481
- N1481, C1482
- C1482, O1483
- C1482, C1484
- C1484, C1485
- N1478, C1485
- P1486, O1474
- P1486, O1487
- P1486, O1488
- P1486, O1489
- O1489, C1490
- C1490, C1491
- C1491, O1492
- C1491, C1493
- O1492, C1497
- C1493, C1495
- C1493, O1494
- C1495, O1496
- C1495, C1497
- C1497, N1498
- N1498, C1499
- C1499, O1500
- C1499, N1501
- N1501, C1502
- C1502, O1503
- C1502, C1504
- C1504, C1505
- N1498, C1505
- P1506, O1494
- P1506, O1507
- P1506, O1508
- P1506, O1509
- O1509, C1510
- C1510, C1511
- C1511, O1512
- C1511, C1513
- O1512, C1517
- C1513, C1515
- C1513, O1514
- C1515, O1516
- C1515, C1517
- C1517, N1518
- N1518, C1519
- C1519, O1520
- C1519, N1521
- N1521, C1522
- C1522, N1523
- C1522, C1524
- C1524, C1525
- N1518, C1525
- P1526, O1514
- P1526, O1527
- P1526, O1528
- P1526, O1529
- O1529, C1530
- C1530, C1531
- C1531, O1532
- C1531, C1533
- O1532, C1537
- C1533, C1535
- C1533, O1534
- C1535, O1536
- C1535, C1537
- C1537, N1538
- N1538, C1539
- N1538, C1548
- C1539, N1540
- N1540, C1541
- C1541, C1542
- C1541, C1548
- C1542, O1543
- C1542, N1544
- N1544, C1545
- C1545, N1546
- C1545, N1547
- N1547, C1548
- P1549, O1534
- P1549, O1550
- P1549, O1551
- P1549, O1552
- O1552, C1553
- C1553, C1554
- C1554, O1555
- C1554, C1556
- O1555, C1560
- C1556, C1558
- C1556, O1557
- C1558, O1559
- C1558, C1560
- C1560, N1561
- N1561, C1562
- C1562, O1563
- C1562, N1564
- N1564, C1565
- C1565, N1566
- C1565, C1567
- C1567, C1568
- N1561, C1568
- P1569, O1557
- P1569, O1570
- P1569, O1571
- P1569, O1572
- O1572, C1573
- C1573, C1574
- C1574, O1575
- C1574, C1576
- O1575, C1580
- C1576, C1578
- C1576, O1577
- C1578, O1579
- C1578, C1580
- C1580, N1581
- N1581, C1582
- N1581, C1590
- C1582, N1583
- N1583, C1584
- C1584, C1585
- C1584, C1590
- C1585, N1586
- C1585, N1587
- N1587, C1588
- C1588, N1589
- N1589, C1590
- P1591, O1577
- P1591, O1592
- P1591, O1593
- P1591, O1594
- O1594, C1595
- C1595, C1596
- C1596, O1597
- C1596, C1598
- O1597, C1602
- C1598, C1600
- C1598, O1599
- C1600, O1601
- C1600, C1602
- C1602, N1603
- N1603, C1604
- C1604, O1605
- C1604, N1606
- N1606, C1607
- C1607, N1608
- C1607, C1609
- C1609, C1610
- N1603, C1610
- P1611, O1599
- P1611, O1612
- P1611, O1613
- P1611, O1614
- O1614, C1615
- C1615, C1616
- C1616, O1617
- C1616, C1618
- O1617, C1622
- C1618, C1620
- C1618, O1619
- C1620, O1621
- C1620, C1622
- C1622, N1623
- N1623, C1624
- C1624, O1625
- C1624, N1626
- N1626, C1627
- C1627, N1628
- C1627, C1629
- C1629, C1630
- N1623, C1630
- P1631, O1619
- P1631, O1632
- P1631, O1633
- P1631, O1634
- O1634, C1635
- C1635, C1636
- C1636, O1637
- C1636, C1638
- O1637, C1642
- C1638, C1640
- C1638, O1639
- C1640, O1641
- C1640, C1642
- C1642, N1643
- N1643, C1644
- N1643, C1652
- C1644, N1645
- N1645, C1646
- C1646, C1647
- C1646, C1652
- C1647, N1648
- C1647, N1649
- N1649, C1650
- C1650, N1651
- N1651, C1652
-