@MOLECULE cholesta-5,7,9(11)-trien-3.beta.-ol 70 73 0 0 0 SMALL GASTEIGER @ATOM 1 O -7.5281 -1.0879 0.9184 O.3 1 UNL1111111111 -0.5657 2 C 0.7112 0.4611 -0.6965 C.3 1 UNL1111111111 0.0856 3 C 2.2143 0.5652 -0.3148 C.3 1 UNL1111111111 -0.1404 4 C 0.0383 0.6999 0.6927 C.3 1 UNL1111111111 -0.1490 5 C 2.2456 1.7227 0.7251 C.3 1 UNL1111111111 -0.2763 6 C 0.8098 1.8918 1.2728 C.3 1 UNL1111111111 -0.2733 7 C 0.2376 -0.9238 -1.1676 C.3 1 UNL1111111111 -0.3045 8 C 3.1980 0.8101 -1.4712 C.3 1 UNL1111111111 -0.0909 9 C -1.4459 0.7777 0.5664 C.2 1 UNL1111111111 0.0016 10 C -2.0300 -0.2168 -0.3378 C.2 1 UNL1111111111 -0.0518 11 C 0.3086 1.5254 -1.7210 C.3 1 UNL1111111111 -0.4590 12 C -3.5441 -0.3068 -0.4364 C.3 1 UNL1111111111 0.0627 13 C -1.2549 -1.0115 -1.1015 C.2 1 UNL1111111111 -0.1653 14 C 4.6370 1.0239 -0.9500 C.3 1 UNL1111111111 -0.2899 15 C -4.2750 0.6502 0.4753 C.2 1 UNL1111111111 0.0071 16 C -3.9671 -1.7525 -0.0655 C.3 1 UNL1111111111 -0.2735 17 C -2.2018 1.6361 1.2762 C.2 1 UNL1111111111 -0.1882 18 C 3.1769 -0.3457 -2.4797 C.3 1 UNL1111111111 -0.4515 19 C -3.9250 0.0388 -1.8926 C.3 1 UNL1111111111 -0.4468 20 C -3.6443 1.5666 1.2290 C.2 1 UNL1111111111 -0.1991 21 C -5.7636 0.5120 0.5155 C.3 1 UNL1111111111 -0.3502 22 C -5.4847 -1.9393 -0.0517 C.3 1 UNL1111111111 -0.3335 23 C -6.1269 -0.9309 0.9088 C.3 1 UNL1111111111 0.1795 24 C 5.1778 -0.1650 -0.1467 C.3 1 UNL1111111111 -0.2620 25 C 6.6160 0.1042 0.3122 C.3 1 UNL1111111111 -0.2894 26 C 7.1983 -1.0191 1.1928 C.3 1 UNL1111111111 -0.0603 27 C 7.2337 -2.3576 0.4460 C.3 1 UNL1111111111 -0.4536 28 C 6.4182 -1.1634 2.5051 C.3 1 UNL1111111111 -0.4524 29 H 2.5055 -0.3830 0.1939 H 1 UNL1111111111 0.1348 30 H 0.2511 -0.1936 1.3416 H 1 UNL1111111111 0.1531 31 H 2.5893 2.6599 0.2601 H 1 UNL1111111111 0.1360 32 H 2.9576 1.4949 1.5320 H 1 UNL1111111111 0.1339 33 H 0.7884 1.8977 2.3720 H 1 UNL1111111111 0.1346 34 H 0.3723 2.8489 0.9444 H 1 UNL1111111111 0.1414 35 H 0.6896 -1.7226 -0.5444 H 1 UNL1111111111 0.1521 36 H 0.5867 -1.1228 -2.1998 H 1 UNL1111111111 0.1504 37 H 2.8971 1.7462 -2.0043 H 1 UNL1111111111 0.1348 38 H -0.7817 1.5688 -1.8395 H 1 UNL1111111111 0.1558 39 H 0.6382 2.5234 -1.4134 H 1 UNL1111111111 0.1484 40 H 0.7353 1.3176 -2.7071 H 1 UNL1111111111 0.1421 41 H -1.6844 -1.7697 -1.7536 H 1 UNL1111111111 0.1431 42 H 5.3034 1.2234 -1.8108 H 1 UNL1111111111 0.1346 43 H 4.6741 1.9384 -0.3292 H 1 UNL1111111111 0.1348 44 H -3.5471 -1.9974 0.9305 H 1 UNL1111111111 0.1496 45 H -3.5101 -2.4698 -0.7714 H 1 UNL1111111111 0.1419 46 H -1.7625 2.3844 1.9324 H 1 UNL1111111111 0.1530 47 H 3.2597 -1.3176 -1.9827 H 1 UNL1111111111 0.1435 48 H 4.0079 -0.2674 -3.1891 H 1 UNL1111111111 0.1426 49 H 2.2505 -0.3471 -3.0641 H 1 UNL1111111111 0.1423 50 H -5.0039 -0.0256 -2.0586 H 1 UNL1111111111 0.1448 51 H -3.6083 1.0599 -2.1381 H 1 UNL1111111111 0.1535 52 H -3.4419 -0.6372 -2.6052 H 1 UNL1111111111 0.1473 53 H -4.1902 2.2665 1.8587 H 1 UNL1111111111 0.1530 54 H -6.2262 1.2159 1.2364 H 1 UNL1111111111 0.1599 55 H -6.2078 0.7716 -0.4652 H 1 UNL1111111111 0.1539 56 H -5.9012 -1.8247 -1.0685 H 1 UNL1111111111 0.1425 57 H -5.7435 -2.9687 0.2619 H 1 UNL1111111111 0.1514 58 H -5.8624 -1.1419 1.9701 H 1 UNL1111111111 0.1456 59 H 4.5324 -0.3556 0.7313 H 1 UNL1111111111 0.1392 60 H 5.1411 -1.0845 -0.7591 H 1 UNL1111111111 0.1386 61 H 6.6550 1.0582 0.8717 H 1 UNL1111111111 0.1346 62 H 7.2660 0.2459 -0.5718 H 1 UNL1111111111 0.1332 63 H 8.2514 -0.7331 1.4443 H 1 UNL1111111111 0.1240 64 H -7.9137 -0.9447 0.0354 H 1 UNL1111111111 0.3116 65 H 6.2252 -2.7378 0.2518 H 1 UNL1111111111 0.1451 66 H 7.7638 -3.1197 1.0269 H 1 UNL1111111111 0.1405 67 H 7.7418 -2.2613 -0.5190 H 1 UNL1111111111 0.1414 68 H 5.3979 -1.5219 2.3314 H 1 UNL1111111111 0.1458 69 H 6.9052 -1.8784 3.1765 H 1 UNL1111111111 0.1399 70 H 6.3469 -0.2067 3.0329 H 1 UNL1111111111 0.1418 @BOND 1 1 23 1 2 1 64 1 3 2 3 1 4 2 4 1 5 2 7 1 6 2 11 1 7 3 5 1 8 3 8 1 9 3 29 1 10 4 6 1 11 4 9 1 12 4 30 1 13 5 6 1 14 5 31 1 15 5 32 1 16 6 33 1 17 6 34 1 18 7 13 1 19 7 35 1 20 7 36 1 21 8 14 1 22 8 18 1 23 8 37 1 24 9 10 1 25 9 17 2 26 10 12 1 27 10 13 2 28 11 38 1 29 11 39 1 30 11 40 1 31 12 15 1 32 12 16 1 33 12 19 1 34 13 41 1 35 14 24 1 36 14 42 1 37 14 43 1 38 15 20 2 39 15 21 1 40 16 22 1 41 16 44 1 42 16 45 1 43 17 20 1 44 17 46 1 45 18 47 1 46 18 48 1 47 18 49 1 48 19 50 1 49 19 51 1 50 19 52 1 51 20 53 1 52 21 23 1 53 21 54 1 54 21 55 1 55 22 23 1 56 22 56 1 57 22 57 1 58 23 58 1 59 24 25 1 60 24 59 1 61 24 60 1 62 25 26 1 63 25 61 1 64 25 62 1 65 26 27 1 66 26 28 1 67 26 63 1 68 27 65 1 69 27 66 1 70 27 67 1 71 28 68 1 72 28 69 1 73 28 70 1