@MOLECULE (5z,7e)-9,10-secocholesta-5,7,10-trien-3-ol 72 74 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.2412 0.4662 2.5093 O.3 1 UNL1111111111 -0.5608 2 C 1.1904 -0.6189 0.2446 C.3 1 UNL1111111111 0.0820 3 C 2.2391 -1.7764 0.3115 C.3 1 UNL1111111111 -0.1472 4 C -0.0931 -1.3685 -0.2356 C.3 1 UNL1111111111 -0.1497 5 C 1.8532 -2.7221 -0.8566 C.3 1 UNL1111111111 -0.2803 6 C 0.4019 -2.4089 -1.2568 C.3 1 UNL1111111111 -0.2746 7 C 1.6196 0.4623 -0.7600 C.3 1 UNL1111111111 -0.2932 8 C 3.7288 -1.3829 0.2171 C.3 1 UNL1111111111 -0.0900 9 C -1.1496 -0.4641 -0.7978 C.2 1 UNL1111111111 0.0542 10 C 0.9042 -0.0024 1.6177 C.3 1 UNL1111111111 -0.4707 11 C 0.4607 1.3839 -1.1474 C.3 1 UNL1111111111 -0.2509 12 C -0.6779 0.5655 -1.7727 C.3 1 UNL1111111111 -0.2868 13 C 4.1662 -0.4938 1.3967 C.3 1 UNL1111111111 -0.2951 14 C 4.5952 -2.6546 0.2021 C.3 1 UNL1111111111 -0.4530 15 C -2.4280 -0.6103 -0.4030 C.2 1 UNL1111111111 -0.2487 16 C 5.4830 0.2451 1.1167 C.3 1 UNL1111111111 -0.2652 17 C 5.2689 1.4440 0.1842 C.3 1 UNL1111111111 -0.2835 18 C -3.5381 0.2013 -0.8585 C.2 1 UNL1111111111 -0.1616 19 C 6.5769 2.1414 -0.2386 C.3 1 UNL1111111111 -0.0589 20 C -4.8112 0.0730 -0.4433 C.2 1 UNL1111111111 -0.0304 21 C -5.3031 -0.9392 0.5404 C.3 1 UNL1111111111 -0.3394 22 C 7.4581 1.2121 -1.0821 C.3 1 UNL1111111111 -0.4541 23 C 7.3576 2.6595 0.9745 C.3 1 UNL1111111111 -0.4547 24 C -5.8569 0.9754 -0.9515 C.2 1 UNL1111111111 0.0338 25 C -6.1035 -0.2675 1.6702 C.3 1 UNL1111111111 0.1745 26 C -6.6601 1.6612 0.1140 C.3 1 UNL1111111111 -0.2801 27 C -7.2108 0.6455 1.1218 C.3 1 UNL1111111111 -0.3248 28 C -6.0681 1.1712 -2.2556 C.2 1 UNL1111111111 -0.3648 29 H 2.0872 -2.3147 1.2750 H 1 UNL1111111111 0.1368 30 H -0.5043 -1.9216 0.6471 H 1 UNL1111111111 0.1443 31 H 2.5241 -2.5762 -1.7195 H 1 UNL1111111111 0.1364 32 H 1.9658 -3.7740 -0.5520 H 1 UNL1111111111 0.1338 33 H 0.3549 -2.0128 -2.2848 H 1 UNL1111111111 0.1384 34 H -0.2315 -3.3085 -1.2473 H 1 UNL1111111111 0.1353 35 H 2.0216 -0.0222 -1.6714 H 1 UNL1111111111 0.1427 36 H 2.4501 1.0590 -0.3383 H 1 UNL1111111111 0.1404 37 H 3.8990 -0.8285 -0.7358 H 1 UNL1111111111 0.1354 38 H 1.7085 0.6648 1.9470 H 1 UNL1111111111 0.1458 39 H -0.0173 0.5941 1.5897 H 1 UNL1111111111 0.1569 40 H 0.7738 -0.7678 2.3895 H 1 UNL1111111111 0.1451 41 H 0.8089 2.1545 -1.8586 H 1 UNL1111111111 0.1305 42 H 0.0893 1.9304 -0.2597 H 1 UNL1111111111 0.1428 43 H -1.4927 1.2428 -2.0948 H 1 UNL1111111111 0.1435 44 H -0.3250 0.0692 -2.7010 H 1 UNL1111111111 0.1501 45 H 4.2693 -1.1113 2.3079 H 1 UNL1111111111 0.1372 46 H 3.3799 0.2481 1.6320 H 1 UNL1111111111 0.1454 47 H 5.6611 -2.4068 0.2573 H 1 UNL1111111111 0.1434 48 H 4.3646 -3.3053 1.0517 H 1 UNL1111111111 0.1429 49 H 4.4479 -3.2361 -0.7128 H 1 UNL1111111111 0.1402 50 H -2.6813 -1.3906 0.3204 H 1 UNL1111111111 0.1543 51 H 6.2253 -0.4486 0.6808 H 1 UNL1111111111 0.1389 52 H 5.9208 0.5895 2.0724 H 1 UNL1111111111 0.1331 53 H 4.6080 2.1814 0.6784 H 1 UNL1111111111 0.1335 54 H 4.7299 1.1158 -0.7259 H 1 UNL1111111111 0.1364 55 H -3.2944 0.9783 -1.5912 H 1 UNL1111111111 0.1529 56 H 6.2952 3.0210 -0.8719 H 1 UNL1111111111 0.1241 57 H -4.4695 -1.5191 0.9884 H 1 UNL1111111111 0.1648 58 H -5.9392 -1.6825 0.0186 H 1 UNL1111111111 0.1599 59 H 7.8394 0.3719 -0.4922 H 1 UNL1111111111 0.1441 60 H 8.3242 1.7473 -1.4848 H 1 UNL1111111111 0.1396 61 H 6.9013 0.7946 -1.9276 H 1 UNL1111111111 0.1426 62 H 7.7368 1.8382 1.5916 H 1 UNL1111111111 0.1450 63 H 8.2201 3.2580 0.6630 H 1 UNL1111111111 0.1394 64 H 6.7290 3.2894 1.6126 H 1 UNL1111111111 0.1420 65 H -6.5201 -1.0242 2.3747 H 1 UNL1111111111 0.1342 66 H -6.0209 2.4062 0.6342 H 1 UNL1111111111 0.1518 67 H -7.4938 2.2457 -0.3229 H 1 UNL1111111111 0.1466 68 H -7.6945 1.1767 1.9643 H 1 UNL1111111111 0.1537 69 H -7.9974 0.0301 0.6478 H 1 UNL1111111111 0.1469 70 H -6.8309 1.8213 -2.6493 H 1 UNL1111111111 0.1473 71 H -5.4951 0.6840 -3.0285 H 1 UNL1111111111 0.1526 72 H -4.6880 1.0837 1.9885 H 1 UNL1111111111 0.3225 @BOND 1 1 25 1 2 1 72 1 3 2 3 1 4 2 4 1 5 2 7 1 6 2 10 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 11 1 19 7 35 1 20 7 36 1 21 8 13 1 22 8 14 1 23 8 37 1 24 9 12 1 25 9 15 2 26 10 38 1 27 10 39 1 28 10 40 1 29 11 12 1 30 11 41 1 31 11 42 1 32 12 43 1 33 12 44 1 34 13 16 1 35 13 45 1 36 13 46 1 37 14 47 1 38 14 48 1 39 14 49 1 40 15 18 1 41 15 50 1 42 16 17 1 43 16 51 1 44 16 52 1 45 17 19 1 46 17 53 1 47 17 54 1 48 18 20 2 49 18 55 1 50 19 22 1 51 19 23 1 52 19 56 1 53 20 21 1 54 20 24 1 55 21 25 1 56 21 57 1 57 21 58 1 58 22 59 1 59 22 60 1 60 22 61 1 61 23 62 1 62 23 63 1 63 23 64 1 64 24 26 1 65 24 28 2 66 25 27 1 67 25 65 1 68 26 27 1 69 26 66 1 70 26 67 1 71 27 68 1 72 27 69 1 73 28 70 1 74 28 71 1