@MOLECULE (3beta,5alpha,9beta,13alpha,14beta,16beta,22s,25s)-3-hydroxyspirostan-12-one 73 78 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.5109 0.2928 1.1768 O.3 1 UNL1111111111 -0.4663 2 O 3.7012 0.4178 -1.1196 O.3 1 UNL1111111111 -0.4621 3 O -0.1143 -3.3468 -0.0602 O.2 1 UNL1111111111 -0.4674 4 O -7.7724 0.9330 -0.4267 O.3 1 UNL1111111111 -0.5746 5 C -0.0329 -0.1234 1.0349 C.3 1 UNL1111111111 -0.1333 6 C 0.6182 -1.0654 -0.0264 C.3 1 UNL1111111111 -0.0469 7 C -1.2998 0.5281 0.4845 C.3 1 UNL1111111111 -0.1207 8 C 1.9356 -1.4700 0.6796 C.3 1 UNL1111111111 -0.1707 9 C -2.3357 -0.6049 0.2416 C.3 1 UNL1111111111 -0.1236 10 C -3.6535 -0.0147 -0.3465 C.3 1 UNL1111111111 0.0700 11 C 2.2846 -0.2619 1.6039 C.3 1 UNL1111111111 0.1241 12 C 1.1389 0.7630 1.4727 C.3 1 UNL1111111111 -0.3242 13 C 3.1908 -1.6648 -0.1884 C.3 1 UNL1111111111 -0.1516 14 C -4.1898 1.0071 0.6978 C.3 1 UNL1111111111 -0.1125 15 C -1.7723 -1.7405 -0.6332 C.3 1 UNL1111111111 -0.4005 16 C -1.8644 1.5560 1.4753 C.3 1 UNL1111111111 -0.2788 17 C -0.3850 -2.1847 -0.2206 C.2 1 UNL1111111111 0.4662 18 C 4.0055 -0.3578 0.0194 C.3 1 UNL1111111111 0.4559 19 C -3.1804 2.1368 0.9481 C.3 1 UNL1111111111 -0.2844 20 C 0.8430 -0.4013 -1.3821 C.3 1 UNL1111111111 -0.4573 21 C -4.7045 -1.1447 -0.4814 C.3 1 UNL1111111111 -0.2946 22 C -5.5488 1.5835 0.2806 C.3 1 UNL1111111111 -0.3572 23 C -3.4150 0.6248 -1.7186 C.3 1 UNL1111111111 -0.4587 24 C -6.0863 -0.6144 -0.8700 C.3 1 UNL1111111111 -0.2989 25 C 3.9580 -2.9143 0.2327 C.3 1 UNL1111111111 -0.4487 26 C 5.5236 -0.4570 0.2043 C.3 1 UNL1111111111 -0.3343 27 C -6.5630 0.4413 0.1336 C.3 1 UNL1111111111 0.1681 28 C 6.1315 0.9483 0.2581 C.3 1 UNL1111111111 -0.2684 29 C 5.7261 1.7412 -0.9942 C.3 1 UNL1111111111 -0.1270 30 C 4.1920 1.7447 -1.0877 C.3 1 UNL1111111111 -0.0293 31 C 6.2493 3.1753 -0.9304 C.3 1 UNL1111111111 -0.4533 32 H -0.3301 -0.7429 1.9226 H 1 UNL1111111111 0.1409 33 H -1.0759 1.0495 -0.4743 H 1 UNL1111111111 0.1497 34 H 1.7430 -2.3869 1.2802 H 1 UNL1111111111 0.1649 35 H -2.5852 -1.0491 1.2392 H 1 UNL1111111111 0.1384 36 H 2.4696 -0.5570 2.6541 H 1 UNL1111111111 0.1269 37 H 1.3881 1.5292 0.7187 H 1 UNL1111111111 0.1639 38 H 0.9471 1.2983 2.4114 H 1 UNL1111111111 0.1430 39 H 2.9270 -1.7587 -1.2691 H 1 UNL1111111111 0.1711 40 H -4.3337 0.4559 1.6623 H 1 UNL1111111111 0.1350 41 H -1.7393 -1.4333 -1.6983 H 1 UNL1111111111 0.1728 42 H -2.4567 -2.6136 -0.5986 H 1 UNL1111111111 0.1698 43 H -1.1295 2.3671 1.6349 H 1 UNL1111111111 0.1399 44 H -2.0223 1.0920 2.4666 H 1 UNL1111111111 0.1385 45 H -3.5921 2.8604 1.6753 H 1 UNL1111111111 0.1331 46 H -3.0047 2.7117 0.0208 H 1 UNL1111111111 0.1418 47 H 1.5517 0.4384 -1.2931 H 1 UNL1111111111 0.1854 48 H 1.2709 -1.1011 -2.1106 H 1 UNL1111111111 0.1535 49 H -0.0762 0.0028 -1.8180 H 1 UNL1111111111 0.1470 50 H -4.7740 -1.7050 0.4699 H 1 UNL1111111111 0.1386 51 H -4.3743 -1.8772 -1.2420 H 1 UNL1111111111 0.1436 52 H -5.9001 2.3179 1.0260 H 1 UNL1111111111 0.1365 53 H -5.4669 2.1386 -0.6727 H 1 UNL1111111111 0.1585 54 H -2.6352 1.3927 -1.6841 H 1 UNL1111111111 0.1467 55 H -3.1174 -0.1196 -2.4645 H 1 UNL1111111111 0.1439 56 H -4.3237 1.1087 -2.0966 H 1 UNL1111111111 0.1516 57 H -6.0734 -0.1770 -1.8873 H 1 UNL1111111111 0.1576 58 H -6.8218 -1.4398 -0.9203 H 1 UNL1111111111 0.1495 59 H 4.8475 -3.0723 -0.3873 H 1 UNL1111111111 0.1467 60 H 4.2789 -2.8662 1.2794 H 1 UNL1111111111 0.1488 61 H 3.3280 -3.8091 0.1235 H 1 UNL1111111111 0.1611 62 H 5.9568 -1.0331 -0.6343 H 1 UNL1111111111 0.1541 63 H 5.7555 -1.0088 1.1336 H 1 UNL1111111111 0.1555 64 H -6.8098 -0.0124 1.1182 H 1 UNL1111111111 0.1108 65 H 5.7819 1.4713 1.1706 H 1 UNL1111111111 0.1527 66 H 7.2309 0.8888 0.3391 H 1 UNL1111111111 0.1349 67 H 6.1398 1.2314 -1.8966 H 1 UNL1111111111 0.1432 68 H 3.7261 2.2842 -0.2447 H 1 UNL1111111111 0.1310 69 H 3.8275 2.1552 -2.0452 H 1 UNL1111111111 0.1309 70 H -8.1107 1.6916 0.0797 H 1 UNL1111111111 0.3126 71 H 7.3436 3.1955 -0.8744 H 1 UNL1111111111 0.1458 72 H 5.9560 3.7485 -1.8168 H 1 UNL1111111111 0.1436 73 H 5.8678 3.7064 -0.0506 H 1 UNL1111111111 0.1474 @BOND 1 1 11 1 2 1 18 1 3 2 18 1 4 2 30 1 5 3 17 2 6 4 27 1 7 4 70 1 8 5 6 1 9 5 7 1 10 5 12 1 11 5 32 1 12 6 8 1 13 6 17 1 14 6 20 1 15 7 9 1 16 7 16 1 17 7 33 1 18 8 11 1 19 8 13 1 20 8 34 1 21 9 10 1 22 9 15 1 23 9 35 1 24 10 14 1 25 10 21 1 26 10 23 1 27 11 12 1 28 11 36 1 29 12 37 1 30 12 38 1 31 13 18 1 32 13 25 1 33 13 39 1 34 14 19 1 35 14 22 1 36 14 40 1 37 15 17 1 38 15 41 1 39 15 42 1 40 16 19 1 41 16 43 1 42 16 44 1 43 18 26 1 44 19 45 1 45 19 46 1 46 20 47 1 47 20 48 1 48 20 49 1 49 21 24 1 50 21 50 1 51 21 51 1 52 22 27 1 53 22 52 1 54 22 53 1 55 23 54 1 56 23 55 1 57 23 56 1 58 24 27 1 59 24 57 1 60 24 58 1 61 25 59 1 62 25 60 1 63 25 61 1 64 26 28 1 65 26 62 1 66 26 63 1 67 27 64 1 68 28 29 1 69 28 65 1 70 28 66 1 71 29 30 1 72 29 31 1 73 29 67 1 74 30 68 1 75 30 69 1 76 31 71 1 77 31 72 1 78 31 73 1