@MOLECULE 4,4-dimethyl-5alpha-cholesta-8,14-diene-3beta-ol 78 81 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.9112 -1.0154 -1.5436 O.3 1 UNL1111111111 -0.5723 2 C -3.1128 0.5457 -0.3868 C.3 1 UNL1111111111 0.0697 3 C -3.6878 -0.6710 0.3979 C.3 1 UNL1111111111 -0.1362 4 C -5.2022 -0.9567 0.2224 C.3 1 UNL1111111111 0.0319 5 C 1.2134 1.1072 0.2672 C.3 1 UNL1111111111 0.0672 6 C -1.6002 0.5394 -0.2088 C.2 1 UNL1111111111 -0.0302 7 C -3.5136 0.3947 -1.8716 C.3 1 UNL1111111111 -0.2912 8 C -3.2830 -0.5439 1.8726 C.3 1 UNL1111111111 -0.2742 9 C -1.0185 0.0237 0.8918 C.2 1 UNL1111111111 -0.0548 10 C 2.6873 0.5847 0.4077 C.3 1 UNL1111111111 -0.1351 11 C 0.4182 0.0984 1.0858 C.2 1 UNL1111111111 -0.0358 12 C -5.5135 -0.9947 -1.2985 C.3 1 UNL1111111111 0.1387 13 C 0.7149 1.0228 -1.1802 C.3 1 UNL1111111111 -0.2905 14 C -0.8029 1.2479 -1.2664 C.3 1 UNL1111111111 -0.2764 15 C -1.7615 -0.6775 1.9895 C.3 1 UNL1111111111 -0.2727 16 C -5.0243 0.2494 -2.0418 C.3 1 UNL1111111111 -0.2978 17 C -3.5771 1.9186 0.1315 C.3 1 UNL1111111111 -0.4546 18 C 2.6574 -0.2549 1.7197 C.3 1 UNL1111111111 -0.2815 19 C 3.7886 1.6539 0.4102 C.3 1 UNL1111111111 -0.0913 20 C 1.2132 -0.6296 1.8857 C.2 1 UNL1111111111 -0.1929 21 C -5.5031 -2.3644 0.7854 C.3 1 UNL1111111111 -0.4697 22 C -6.1143 0.0420 0.9351 C.3 1 UNL1111111111 -0.4495 23 C 0.9983 2.4993 0.8644 C.3 1 UNL1111111111 -0.4543 24 C 5.1674 1.0528 0.7635 C.3 1 UNL1111111111 -0.2884 25 C 3.8644 2.3629 -0.9491 C.3 1 UNL1111111111 -0.4515 26 C 5.6083 -0.0674 -0.1864 C.3 1 UNL1111111111 -0.2617 27 C 6.9825 -0.6110 0.2228 C.3 1 UNL1111111111 -0.2892 28 C 7.4501 -1.8029 -0.6359 C.3 1 UNL1111111111 -0.0604 29 C 7.5627 -1.4195 -2.1160 C.3 1 UNL1111111111 -0.4537 30 C 6.5210 -3.0114 -0.4689 C.3 1 UNL1111111111 -0.4522 31 H -3.1584 -1.5710 -0.0208 H 1 UNL1111111111 0.1443 32 H -2.9980 -0.4832 -2.3066 H 1 UNL1111111111 0.1421 33 H -3.1711 1.2735 -2.4504 H 1 UNL1111111111 0.1415 34 H -3.7743 -1.3185 2.4884 H 1 UNL1111111111 0.1360 35 H -3.6194 0.4252 2.2853 H 1 UNL1111111111 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0.1464 55 H -5.3672 -2.3952 1.8723 H 1 UNL1111111111 0.1510 56 H -6.0222 1.0500 0.5116 H 1 UNL1111111111 0.1528 57 H -7.1701 -0.2369 0.8342 H 1 UNL1111111111 0.1463 58 H -5.8881 0.1072 2.0037 H 1 UNL1111111111 0.1433 59 H 1.4732 3.2808 0.2647 H 1 UNL1111111111 0.1442 60 H -0.0718 2.7343 0.9289 H 1 UNL1111111111 0.1524 61 H 1.4000 2.5564 1.8828 H 1 UNL1111111111 0.1482 62 H 5.9225 1.8619 0.7567 H 1 UNL1111111111 0.1344 63 H 5.1493 0.6732 1.8022 H 1 UNL1111111111 0.1346 64 H -7.3593 -1.6574 -0.9638 H 1 UNL1111111111 0.3121 65 H 3.9963 1.6496 -1.7693 H 1 UNL1111111111 0.1439 66 H 4.7057 3.0632 -0.9827 H 1 UNL1111111111 0.1416 67 H 2.9530 2.9346 -1.1538 H 1 UNL1111111111 0.1432 68 H 4.8638 -0.8851 -0.1829 H 1 UNL1111111111 0.1405 69 H 5.6438 0.3085 -1.2254 H 1 UNL1111111111 0.1381 70 H 6.9590 -0.9193 1.2853 H 1 UNL1111111111 0.1344 71 H 7.7341 0.1985 0.1599 H 1 UNL1111111111 0.1326 72 H 8.4685 -2.0950 -0.2739 H 1 UNL1111111111 0.1233 73 H 8.1796 -0.5248 -2.2493 H 1 UNL1111111111 0.1411 74 H 8.0170 -2.2270 -2.6995 H 1 UNL1111111111 0.1401 75 H 6.5807 -1.2120 -2.5546 H 1 UNL1111111111 0.1457 76 H 6.3998 -3.2773 0.5863 H 1 UNL1111111111 0.1415 77 H 6.9180 -3.8887 -0.9900 H 1 UNL1111111111 0.1395 78 H 5.5235 -2.8136 -0.8763 H 1 UNL1111111111 0.1468 @BOND 1 1 12 1 2 1 64 1 3 2 3 1 4 2 6 1 5 2 7 1 6 2 17 1 7 3 4 1 8 3 8 1 9 3 31 1 10 4 12 1 11 4 21 1 12 4 22 1 13 5 10 1 14 5 11 1 15 5 13 1 16 5 23 1 17 6 9 2 18 6 14 1 19 7 16 1 20 7 32 1 21 7 33 1 22 8 15 1 23 8 34 1 24 8 35 1 25 9 11 1 26 9 15 1 27 10 18 1 28 10 19 1 29 10 36 1 30 11 20 2 31 12 16 1 32 12 37 1 33 13 14 1 34 13 38 1 35 13 39 1 36 14 40 1 37 14 41 1 38 15 42 1 39 15 43 1 40 16 44 1 41 16 45 1 42 17 46 1 43 17 47 1 44 17 48 1 45 18 20 1 46 18 49 1 47 18 50 1 48 19 24 1 49 19 25 1 50 19 51 1 51 20 52 1 52 21 53 1 53 21 54 1 54 21 55 1 55 22 56 1 56 22 57 1 57 22 58 1 58 23 59 1 59 23 60 1 60 23 61 1 61 24 26 1 62 24 62 1 63 24 63 1 64 25 65 1 65 25 66 1 66 25 67 1 67 26 27 1 68 26 68 1 69 26 69 1 70 27 28 1 71 27 70 1 72 27 71 1 73 28 29 1 74 28 30 1 75 28 72 1 76 29 73 1 77 29 74 1 78 29 75 1 79 30 76 1 80 30 77 1 81 30 78 1