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Sibutramine |
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ID: API-28671 CAS:106650-56-0 Supplier:APIchem SMILES:Clc1ccc(C2(CCC2)C(N(C)C)CC(C)C)cc1 ChemMol.com FORMULA: C17H26ClN
MASS: 279.8480
EXACT MASS: 279.1753775
INTERATOMIC DISTANCES
Cl 1 N 2 C 3 C 4 C 5 C 6
------------------------------------------------------------------
Cl 1 0.0000
N 2 5.0920 0.0000
C 3 4.0000 1.7320 0.0000
C 4 4.1231 2.6457 1.0000 0.0000
C 5 5.0000 1.5060 1.0000 1.4142 0.0000
C 6 4.1231 1.0000 1.0000 2.0000 1.4142 0.0000
C 7 5.0990 2.5036 1.4142 1.0000 1.0000 2.2361
C 8 3.0000 2.3942 1.0000 1.4142 2.0000 1.4142
C 9 3.4744 1.7321 1.7321 2.6458 2.3942 1.0001
C 10 4.0089 2.0000 2.6458 3.6056 3.1197 1.7321
C 11 2.6457 3.3460 1.7320 1.5060 2.6457 2.3942
C 12 2.6457 2.4495 1.7320 2.3942 2.6457 1.5060
C 13 5.4706 1.0000 2.6457 3.6055 2.5036 1.7320
C 14 5.8186 1.0000 2.0000 2.6457 1.2393 1.7320
C 15 3.7608 3.0000 3.4641 4.3589 4.0576 2.6458
C 16 5.0000 1.7320 3.0000 4.0000 3.1623 2.0000
C 17 1.7320 4.1144 2.6457 2.5036 3.6055 3.1196
C 18 1.7320 3.4252 2.6457 3.1196 3.6055 2.5036
C 19 1.0000 4.1468 3.0000 3.1623 4.0000 3.1623
H 20 5.6200 1.6788 1.6200 1.9038 0.6200 1.9038
H 21 5.0383 0.8901 1.1766 1.9038 0.6200 1.0698
H 22 3.5248 2.9083 1.1766 0.6200 1.9038 2.0939
H 23 4.3156 3.2380 1.6200 0.6200 1.9038 2.6200
H 24 4.4071 0.9341 1.8500 2.8500 2.1030 0.8500
H 25 5.2559 3.1229 1.9038 1.1766 1.6200 2.8044
H 26 5.7083 2.6112 1.9038 1.6200 1.1766 2.5738
H 27 2.9920 2.3451 2.1829 2.9967 2.9527 1.5968
H 28 3.0625 2.0295 1.4156 2.1997 2.2716 1.0813
H 29 4.2745 1.3800 2.2146 3.2069 2.5618 1.2347
H 30 3.1408 3.5573 1.8397 1.2564 2.6009 2.6815
H 31 3.1408 2.0583 1.8397 2.6815 2.6009 1.2564
H 32 6.0288 1.1766 2.9083 3.8024 2.5468 2.1114
H 33 5.7803 1.6200 3.2380 4.2100 3.1229 2.2901
H 34 4.9273 1.1766 2.5121 3.5086 2.6112 1.5200
H 35 5.4417 1.1766 1.4955 2.0403 0.6265 1.5200
H 36 6.3069 1.6200 2.3716 2.8292 1.4445 2.2901
H 37 6.2344 1.1766 2.5557 3.2566 1.8568 2.1114
H 38 4.9642 1.1121 2.4825 3.4769 2.5579 1.4956
H 39 5.6160 1.8397 3.3533 4.3433 3.3422 2.3716
H 40 5.1113 2.3520 3.5505 4.5475 3.7717 2.5558
H 41 4.3767 3.0634 3.8121 4.7546 4.2868 2.9083
H 42 3.7353 3.6200 4.0130 4.8708 4.6521 3.2380
H 43 3.1465 3.0634 3.1995 4.0204 3.9142 2.5121
H 44 1.8397 4.6841 3.1408 2.8388 4.0601 3.6974
H 45 1.8397 3.6773 3.1408 3.6974 4.0601 2.8388
C 7 C 8 C 9 C 10 C 11 C 12
------------------------------------------------------------------
C 7 0.0000
C 8 2.2361 0.0000
C 9 3.1197 1.5060 0.0000
C 10 3.9664 2.5036 1.0000 0.0000
C 11 2.5036 1.0000 2.4494 3.4252 0.0000
C 12 3.1196 1.0000 0.8965 1.7527 1.7320 0.0000
C 13 3.5026 3.1196 2.0000 1.7321 4.1144 2.8754
C 14 2.1297 2.9093 2.6458 3.0000 3.7320 3.2348
C 15 4.8440 3.0880 1.7320 1.0000 3.8730 2.1466
C 16 4.1231 3.1623 1.7321 1.0001 4.1468 2.6084
C 17 3.5026 1.7320 2.8753 3.7416 1.0000 2.0000
C 18 3.9664 1.7320 1.7526 2.3108 2.0000 1.0000
C 19 4.1231 2.0000 2.6084 3.2869 1.7320 1.7320
H 20 1.1766 2.6200 2.9036 3.5257 3.2380 3.2380
H 21 1.6200 2.0939 2.0632 2.6489 2.9083 2.5121
H 22 1.6200 1.0698 2.5121 3.5086 0.8901 2.0631
H 23 1.1766 1.9038 3.2380 4.2101 1.6788 2.9035
H 24 3.0203 2.1030 0.9341 1.0829 3.1027 1.7939
H 25 0.6200 2.5738 3.6355 4.5229 2.6112 3.5256
H 26 0.6200 2.8044 3.5257 4.2931 3.1229 3.6354
H 27 3.5963 1.6769 0.6199 1.0812 2.4738 0.7421
H 28 2.8275 0.9207 0.6200 1.5967 1.8326 0.4250
H 29 3.4558 2.2905 0.8743 0.6201 3.2726 1.7675
H 30 2.2268 1.4158 2.9210 3.9164 0.6201 2.2901
H 31 3.2512 1.4158 0.3381 1.1438 2.2901 0.6201
H 32 3.5336 3.5256 2.5559 2.3521 4.4996 3.4038
H 33 4.1222 3.6354 2.3716 1.8397 4.6353 3.2678
H 34 3.5803 2.7933 1.4956 1.1121 3.7919 2.3913
H 35 1.5227 2.4659 2.5121 3.0634 3.2101 2.9496
H 36 2.1134 3.3410 3.2380 3.6201 4.0776 3.7731
H 37 2.7426 3.4082 2.9083 3.0634 4.2802 3.6050
H 38 3.5312 2.7898 1.5201 1.1767 3.7893 2.4139
H 39 4.3348 3.6494 2.2901 1.6200 4.6463 3.1815
H 40 4.7222 3.6036 2.1114 1.1766 4.5609 2.9240
H 41 5.1430 3.5620 2.1114 1.1766 4.4036 2.6720
H 42 5.4095 3.5449 2.2900 1.6199 4.2462 2.5621
H 43 4.6095 2.6745 1.5200 1.1766 3.3729 1.6866
H 44 3.8313 2.2901 3.4937 4.3603 1.4158 2.6200
H 45 4.5045 2.2901 1.9463 2.2321 2.6200 1.4158
C 13 C 14 C 15 C 16 C 17 C 18
------------------------------------------------------------------
C 13 0.0000
C 14 1.7320 0.0000
C 15 2.6458 4.0000 0.0000
C 16 1.0000 2.6457 1.7321 0.0000
C 17 4.7602 4.6251 3.9415 4.6039 0.0000
C 18 3.7416 4.2341 2.2680 3.2869 1.7320 0.0000
C 19 4.6039 4.8365 3.2569 4.2426 1.0000 1.0000
H 20 2.6112 1.0063 4.4985 3.4095 4.2100 4.2100
H 21 1.8848 0.8248 3.6234 2.5815 3.8024 3.5086
H 22 3.8024 3.0874 4.1517 4.0478 1.8848 2.6488
H 23 4.2100 3.1407 4.9340 4.6200 2.6112 3.5256
H 24 1.0828 1.9293 2.0791 1.1500 3.6914 2.6867
H 25 4.1222 2.7203 5.3674 4.7270 3.5803 4.2930
H 26 3.5803 2.0031 5.2189 4.3156 4.1222 4.5229
H 27 2.5068 3.2656 1.4155 2.0295 2.6770 1.2639
H 28 2.5068 2.8113 2.1829 2.3451 2.2809 1.4228
H 29 1.2347 2.3800 1.6200 0.8743 3.7486 2.5428
H 30 4.4114 3.7832 4.4362 4.5610 1.4158 2.6200
H 31 2.3304 2.9497 1.6865 1.9916 2.6200 1.4158
H 32 0.6200 1.5200 3.2567 1.5679 5.2171 4.3079
H 33 0.6200 2.2901 2.6009 0.8743 5.2171 4.0510
H 34 0.6200 2.1114 2.0403 0.5572 4.3440 3.1954
H 35 2.1114 0.6200 4.0477 2.9083 4.1411 3.9426
H 36 2.2901 0.6201 4.6201 3.2380 5.0164 4.7722
H 37 1.5200 0.6200 4.0478 2.5121 5.1385 4.5913
H 38 0.5572 2.0403 2.1115 0.6200 4.3565 3.2322
H 39 0.8743 2.6008 2.2901 0.6200 5.1635 3.8982
H 40 1.5678 3.2566 1.5201 0.6200 4.9175 3.4540
H 41 2.5121 4.0477 0.6200 1.5201 4.5329 2.8802
H 42 3.2380 4.6200 0.6200 2.2901 4.1824 2.4549
H 43 2.9083 4.0478 0.6200 2.1115 3.3604 1.6614
H 44 5.3616 5.1385 4.5330 5.2233 0.6201 2.2901
H 45 3.8362 4.5598 1.9267 3.2321 2.2901 0.6201
C 19 H 20 H 21 H 22 H 23 H 24
------------------------------------------------------------------
C 19 0.0000
H 20 4.6200 0.0000
H 21 4.0478 0.8768 0.0000
H 22 2.5815 2.4531 2.2910 0.0000
H 23 3.4095 2.2910 2.4531 0.8768 0.0000
H 24 3.5246 2.4590 1.5852 2.9167 3.4700 0.0000
H 25 4.3156 1.7346 2.2400 1.7346 1.0000 3.6112
H 26 4.7270 1.0000 1.7346 2.2400 1.7346 3.2782
H 27 2.2148 3.4891 2.6663 2.7448 3.5494 1.4963
H 28 2.1296 2.8498 2.0993 1.9714 2.7569 1.4255
H 29 3.4540 2.9317 2.0570 3.2032 3.8242 0.4732
H 30 2.2901 3.1408 2.9814 0.6981 1.2096 3.4638
H 31 2.2901 3.1408 2.3258 2.4697 3.2488 1.2712
H 32 5.1356 2.5036 1.9418 4.0848 4.3798 1.6219
H 33 4.9679 3.2098 2.5036 4.3798 4.8185 1.5372
H 34 4.0971 2.8527 2.0256 3.6055 4.1273 0.6950
H 35 4.4462 0.5037 0.4502 2.5121 2.5222 1.9863
H 36 5.3140 0.9473 1.2709 3.3470 3.2380 2.5483
H 37 5.2710 1.5938 1.3880 3.6772 3.7598 2.0659
H 38 4.1259 2.7898 1.9680 3.5858 4.0949 0.6870
H 39 4.8441 3.4827 2.7296 4.4626 4.9591 1.5556
H 40 4.4436 4.0292 3.1976 4.5475 5.1662 1.7151
H 41 3.8729 4.6652 3.7914 4.6073 5.3494 2.2064
H 42 3.3898 5.1069 4.2335 4.6147 5.4271 2.6981
H 43 2.6428 4.4134 3.5569 3.7437 4.5653 2.1322
H 44 1.4158 4.6469 4.3138 2.2268 2.8184 4.2986
H 45 1.4158 4.6469 3.8896 3.2512 4.1273 2.8453
H 25 H 26 H 27 H 28 H 29 H 30
------------------------------------------------------------------
H 25 0.0000
H 26 0.8768 0.0000
H 27 4.0684 4.0483 0.0000
H 28 3.2798 3.3100 0.7971 0.0000
H 29 4.0352 3.7383 1.2868 1.4767 0.0000
H 30 2.2007 2.8388 3.0243 2.3231 3.6947 0.0000
H 31 3.7329 3.6974 0.3522 0.4983 1.1664 2.8060
H 32 4.1486 3.5026 3.0941 3.0132 1.8414 4.7323
H 33 4.7419 4.1884 2.7883 2.9379 1.5143 4.9684
H 34 4.1884 3.7600 1.9400 2.0635 0.6533 4.1588
H 35 2.1254 1.4764 3.1164 2.5410 2.4594 3.2101
H 36 2.6356 1.8103 3.8564 3.3548 3.0000 4.0429
H 37 3.3244 2.5718 3.5193 3.1810 2.4594 4.3691
H 38 4.1410 3.7026 1.9808 2.0775 0.6950 4.1469
H 39 4.9517 4.4440 2.6367 2.8867 1.4158 5.0194
H 40 5.3207 4.9304 2.2545 2.7298 1.3470 5.0177
H 41 5.6974 5.4624 1.9300 2.6420 1.7346 4.9453
H 42 5.9153 5.8052 1.8777 2.6726 2.2400 4.8349
H 43 5.0918 5.0402 1.0254 1.8217 1.7346 3.9589
H 44 3.8162 4.4483 3.2928 2.8955 4.3663 1.6200
H 45 4.8636 5.0398 1.3490 1.7987 2.6027 3.2401
H 31 H 32 H 33 H 34 H 35 H 36
------------------------------------------------------------------
H 31 0.0000
H 32 2.8921 0.0000
H 33 2.6787 0.8768 0.0000
H 34 1.8071 1.2400 0.8768 0.0000
H 35 2.7760 2.0379 2.7145 2.3520 0.0000
H 36 3.5317 1.9721 2.8059 2.7145 0.8769 0.0000
H 37 3.2348 1.1121 1.9721 2.0379 1.2399 0.8768
H 38 1.8368 1.1766 0.8606 0.0739 2.2883 2.6423
H 39 2.5727 1.2478 0.3800 0.8607 2.9813 3.1408
H 40 2.3082 2.0738 1.2477 1.1766 3.5282 3.8414
H 41 2.1465 3.0874 2.3258 1.9641 4.1877 4.6614
H 42 2.1911 3.8414 3.1408 2.6422 4.6614 5.2400
H 43 1.3601 3.5283 2.9814 2.2884 4.0000 4.6615
H 44 3.2401 5.8042 5.8284 4.9571 4.6252 5.4933
H 45 1.6200 4.4338 4.0572 3.2469 4.3351 5.1288
H 37 H 38 H 39 H 40 H 41 H 42
------------------------------------------------------------------
H 37 0.0000
H 38 1.9641 0.0000
H 39 2.3258 0.8768 0.0000
H 40 3.0874 1.2399 0.8768 0.0000
H 41 4.0000 2.0379 1.9721 1.1121 0.0000
H 42 4.6614 2.7145 2.8059 1.9721 0.8768 0.0000
H 43 4.1878 2.3521 2.7145 2.0379 1.2399 0.8768
H 44 5.6732 4.9680 5.7805 5.5365 5.1312 4.7439
H 45 4.8538 3.2952 3.8521 3.2869 2.5455 1.9823
H 43 H 44 H 45
---------------------------------
H 43 0.0000
H 44 3.9416 0.0000
H 45 1.3090 2.8060 0.0000
ATOMIC CHARGES
Cl 1 -0.0835412704
N 2 -0.3045664176
C 3 0.0112993398
C 4 -0.0418983367
C 5 -0.0418983367
C 6 0.0196706266
C 7 -0.0513553481
C 8 -0.0396271390
C 9 -0.0341924457
C 10 -0.0452803413
C 11 -0.0566119634
C 12 -0.0566119634
C 13 -0.0127408906
C 14 -0.0127408906
C 15 -0.0626156667
C 16 -0.0626156667
C 17 -0.0431129334
C 18 -0.0431129334
C 19 0.0409932982
H 20 0.0274250939
H 21 0.0274250939
H 22 0.0274250939
H 23 0.0274250939
H 24 0.0471005557
H 25 0.0265826516
H 26 0.0265826516
H 27 0.0283059852
H 28 0.0283059852
H 29 0.0295972023
H 30 0.0620904064
H 31 0.0620904064
H 32 0.0390615853
H 33 0.0390615853
H 34 0.0390615853
H 35 0.0390615853
H 36 0.0390615853
H 37 0.0390615853
H 38 0.0232338557
H 39 0.0232338557
H 40 0.0232338557
H 41 0.0232338557
H 42 0.0232338557
H 43 0.0232338557
H 44 0.0632152064
H 45 0.0632152064
BOND ANGLES
13 2 6 C3 N3 C3 120.001
2 6 9 N3 C3 C3 120.001
2 6 24 N3 C3 HC 59.999
14 2 6 C3 N3 C3 119.999
2 6 9 N3 C3 C3 120.001
2 6 24 N3 C3 HC 59.999
6 2 13 C3 N3 C3 120.001
2 13 32 N3 C3 HC 90.000
2 13 33 N3 C3 HC 179.974
2 13 34 N3 C3 HC 90.000
14 2 13 C3 N3 C3 120.001
2 13 32 N3 C3 HC 90.000
2 13 33 N3 C3 HC 179.974
2 13 34 N3 C3 HC 90.000
6 2 14 C3 N3 C3 119.999
2 14 35 N3 C3 HC 89.999
2 14 36 N3 C3 HC 179.974
2 14 37 N3 C3 HC 90.001
13 2 14 C3 N3 C3 120.001
2 14 35 N3 C3 HC 89.999
2 14 36 N3 C3 HC 179.974
2 14 37 N3 C3 HC 90.001
5 3 4 C3 C3 C3 90.000
3 4 7 C3 C3 C3 90.000
3 4 22 C3 C3 HC 90.000
3 4 23 C3 C3 HC 179.974
6 3 4 C3 C3 C3 179.974
3 4 7 C3 C3 C3 90.000
3 4 22 C3 C3 HC 90.000
3 4 23 C3 C3 HC 179.974
8 3 4 Car C3 C3 90.000
3 4 7 C3 C3 C3 90.000
3 4 22 C3 C3 HC 90.000
3 4 23 C3 C3 HC 179.974
4 3 5 C3 C3 C3 90.000
3 5 7 C3 C3 C3 90.000
3 5 20 C3 C3 HC 179.974
3 5 21 C3 C3 HC 90.000
6 3 5 C3 C3 C3 90.000
3 5 7 C3 C3 C3 90.000
3 5 20 C3 C3 HC 179.974
3 5 21 C3 C3 HC 90.000
8 3 5 Car C3 C3 179.974
3 5 7 C3 C3 C3 90.000
3 5 20 C3 C3 HC 179.974
3 5 21 C3 C3 HC 90.000
4 3 6 C3 C3 C3 179.974
3 6 9 C3 C3 C3 119.998
3 6 24 C3 C3 HC 179.974
5 3 6 C3 C3 C3 90.000
3 6 9 C3 C3 C3 119.998
3 6 24 C3 C3 HC 179.974
8 3 6 Car C3 C3 90.000
3 6 9 C3 C3 C3 119.998
3 6 24 C3 C3 HC 179.974
4 3 8 C3 C3 Car 90.000
3 8 11 C3 Car Car 120.001
3 8 12 C3 Car Car 120.001
5 3 8 C3 C3 Car 179.974
3 8 11 C3 Car Car 120.001
3 8 12 C3 Car Car 120.001
6 3 8 C3 C3 Car 90.000
3 8 11 C3 Car Car 120.001
3 8 12 C3 Car Car 120.001
22 4 7 HC C3 C3 179.974
4 7 25 C3 C3 HC 90.000
4 7 26 C3 C3 HC 179.974
23 4 7 HC C3 C3 90.000
4 7 25 C3 C3 HC 90.000
4 7 26 C3 C3 HC 179.974
7 4 22 C3 C3 HC 179.974
23 4 22 HC C3 HC 90.000
7 4 23 C3 C3 HC 90.000
22 4 23 HC C3 HC 90.000
20 5 7 HC C3 C3 90.000
5 7 25 C3 C3 HC 179.974
5 7 26 C3 C3 HC 90.000
21 5 7 HC C3 C3 179.974
5 7 25 C3 C3 HC 179.974
5 7 26 C3 C3 HC 90.000
7 5 20 C3 C3 HC 90.000
21 5 20 HC C3 HC 90.000
7 5 21 C3 C3 HC 179.974
20 5 21 HC C3 HC 90.000
24 6 9 HC C3 C3 60.002
6 9 10 C3 C3 C3 119.998
6 9 27 C3 C3 HC 160.007
6 9 28 C3 C3 HC 79.998
9 6 24 C3 C3 HC 60.002
26 7 25 HC C3 HC 90.000
25 7 26 HC C3 HC 90.000
12 8 11 Car Car Car 119.999
8 11 17 Car Car Car 120.001
8 11 30 Car Car HC 120.002
11 8 12 Car Car Car 119.999
8 12 18 Car Car Car 120.001
8 12 31 Car Car HC 120.002
27 9 10 HC C3 C3 79.995
9 10 15 C3 C3 C3 120.001
9 10 16 C3 C3 C3 119.998
9 10 29 C3 C3 HC 60.003
28 9 10 HC C3 C3 160.004
9 10 15 C3 C3 C3 120.001
9 10 16 C3 C3 C3 119.998
9 10 29 C3 C3 HC 60.003
10 9 27 C3 C3 HC 79.995
28 9 27 HC C3 HC 80.009
10 9 28 C3 C3 HC 160.004
27 9 28 HC C3 HC 80.009
16 10 15 C3 C3 C3 120.001
10 15 41 C3 C3 HC 89.999
10 15 42 C3 C3 HC 179.974
10 15 43 C3 C3 HC 90.001
29 10 15 HC C3 C3 179.974
10 15 41 C3 C3 HC 89.999
10 15 42 C3 C3 HC 179.974
10 15 43 C3 C3 HC 90.001
15 10 16 C3 C3 C3 120.001
10 16 38 C3 C3 HC 90.004
10 16 39 C3 C3 HC 179.974
10 16 40 C3 C3 HC 89.996
29 10 16 HC C3 C3 59.995
10 16 38 C3 C3 HC 90.004
10 16 39 C3 C3 HC 179.974
10 16 40 C3 C3 HC 89.996
15 10 29 C3 C3 HC 179.974
16 10 29 C3 C3 HC 59.995
30 11 17 HC Car Car 119.997
11 17 19 Car Car Car 120.001
11 17 44 Car Car HC 119.997
17 11 30 Car Car HC 119.997
31 12 18 HC Car Car 119.997
12 18 19 Car Car Car 120.001
12 18 45 Car Car HC 119.997
18 12 31 Car Car HC 119.997
33 13 32 HC C3 HC 90.000
34 13 32 HC C3 HC 179.974
32 13 33 HC C3 HC 90.000
34 13 33 HC C3 HC 90.000
32 13 34 HC C3 HC 179.974
33 13 34 HC C3 HC 90.000
36 14 35 HC C3 HC 90.005
37 14 35 HC C3 HC 179.974
35 14 36 HC C3 HC 90.005
37 14 36 HC C3 HC 89.995
35 14 37 HC C3 HC 179.974
36 14 37 HC C3 HC 89.995
42 15 41 HC C3 HC 90.000
43 15 41 HC C3 HC 179.974
41 15 42 HC C3 HC 90.000
43 15 42 HC C3 HC 90.000
41 15 43 HC C3 HC 179.974
42 15 43 HC C3 HC 90.000
39 16 38 HC C3 HC 90.000
40 16 38 HC C3 HC 179.974
38 16 39 HC C3 HC 90.000
40 16 39 HC C3 HC 90.000
38 16 40 HC C3 HC 179.974
39 16 40 HC C3 HC 90.000
44 17 19 HC Car Car 120.002
19 17 44 Car Car HC 120.002
45 18 19 HC Car Car 120.002
19 18 45 Car Car HC 120.002
TORSION ANGLES
13 2 6 3 179.974
13 2 6 9 0.026
13 2 6 24 0.026
14 2 6 3 0.026
14 2 6 9 179.974
14 2 6 24 179.974
6 2 13 32 179.974
6 2 13 33 180.000
6 2 13 34 0.026
14 2 13 32 0.026
14 2 13 33 180.000
14 2 13 34 179.974
6 2 14 35 0.026
6 2 14 36 179.974
6 2 14 37 179.974
13 2 14 35 179.974
13 2 14 36 0.026
13 2 14 37 0.026
5 3 4 7 0.026
5 3 4 22 179.974
5 3 4 23 180.000
6 3 4 7 180.000
6 3 4 22 180.000
6 3 4 23 180.000
8 3 4 7 179.974
8 3 4 22 0.026
8 3 4 23 180.000
4 3 5 7 0.026
4 3 5 20 180.000
4 3 5 21 179.974
6 3 5 7 179.974
6 3 5 20 180.000
6 3 5 21 0.026
8 3 5 7 180.000
8 3 5 20 180.000
8 3 5 21 180.000
4 3 6 2 180.000
4 3 6 9 180.000
4 3 6 24 180.000
5 3 6 2 0.026
5 3 6 9 179.974
5 3 6 24 180.000
8 3 6 2 179.974
8 3 6 9 0.026
8 3 6 24 180.000
4 3 8 11 0.026
4 3 8 12 179.974
5 3 8 11 180.000
5 3 8 12 180.000
6 3 8 11 179.974
6 3 8 12 0.026
3 4 7 5 0.026
3 4 7 25 179.974
3 4 7 26 180.000
22 4 7 5 180.000
22 4 7 25 180.000
22 4 7 26 180.000
23 4 7 5 179.974
23 4 7 25 0.026
23 4 7 26 180.000
3 5 7 4 0.026
3 5 7 25 180.000
3 5 7 26 179.974
20 5 7 4 179.974
20 5 7 25 180.000
20 5 7 26 0.026
21 5 7 4 180.000
21 5 7 25 180.000
21 5 7 26 180.000
2 6 9 10 0.026
2 6 9 27 179.974
2 6 9 28 179.974
3 6 9 10 179.974
3 6 9 27 0.026
3 6 9 28 0.026
24 6 9 10 0.026
24 6 9 27 179.974
24 6 9 28 179.974
3 8 11 17 179.974
3 8 11 30 0.026
12 8 11 17 0.026
12 8 11 30 179.974
3 8 12 18 179.974
3 8 12 31 0.026
11 8 12 18 0.026
11 8 12 31 179.974
6 9 10 15 179.974
6 9 10 16 0.026
6 9 10 29 0.026
27 9 10 15 0.026
27 9 10 16 179.974
27 9 10 29 179.974
28 9 10 15 0.026
28 9 10 16 179.974
28 9 10 29 179.974
9 10 15 41 179.974
9 10 15 42 179.974
9 10 15 43 0.026
16 10 15 41 0.026
16 10 15 42 0.026
16 10 15 43 179.974
29 10 15 41 0.026
29 10 15 42 0.026
29 10 15 43 179.974
9 10 16 38 0.026
9 10 16 39 179.974
9 10 16 40 179.974
15 10 16 38 179.974
15 10 16 39 0.026
15 10 16 40 0.026
29 10 16 38 0.026
29 10 16 39 179.974
29 10 16 40 179.974
8 11 17 19 0.026
8 11 17 44 179.974
30 11 17 19 179.974
30 11 17 44 0.026
8 12 18 19 0.026
8 12 18 45 179.974
31 12 18 19 179.974
31 12 18 45 0.026
11 17 19 1 179.974
11 17 19 18 0.026
44 17 19 1 0.026
44 17 19 18 179.974
12 18 19 1 179.974
12 18 19 17 0.026
45 18 19 1 0.026
45 18 19 17 179.974
CHIRAL ATOMS
C 6 is chiral: counterclockwise
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