@MOLECULE (3beta,5alpha,20r,22s,25r)-3-hydroxyspirostan-12-one 73 78 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.4532 -0.5771 -1.0594 O.3 1 UNL111111111 -0.4709 2 O 3.7305 0.0098 1.1406 O.3 1 UNL111111111 -0.4396 3 O 0.0029 3.2723 -0.2644 O.2 1 UNL111111111 -0.4737 4 O -7.7049 -0.9337 0.5580 O.3 1 UNL111111111 -0.5746 5 C -0.0254 -0.0559 -1.1575 C.3 1 UNL111111111 -0.1353 6 C 0.6887 0.9771 -0.2243 C.3 1 UNL111111111 -0.0353 7 C -1.2831 -0.6162 -0.4954 C.3 1 UNL111111111 -0.1208 8 C 1.9422 1.2975 -1.0719 C.3 1 UNL111111111 -0.1690 9 C -2.2844 0.5585 -0.3226 C.3 1 UNL111111111 -0.1224 10 C -3.6032 0.0590 0.3434 C.3 1 UNL111111111 0.0713 11 C 2.3094 -0.0725 -1.7261 C.3 1 UNL111111111 0.1185 12 C 1.1107 -1.0211 -1.5262 C.3 1 UNL111111111 -0.3191 13 C 3.2745 1.7311 -0.4392 C.3 1 UNL111111111 -0.1461 14 C -4.1890 -1.0437 -0.5836 C.3 1 UNL111111111 -0.1189 15 C -1.6621 1.7367 0.4495 C.3 1 UNL111111111 -0.4023 16 C -1.9012 -1.7228 -1.3622 C.3 1 UNL111111111 -0.2778 17 C -0.2838 2.1227 -0.0456 C.2 1 UNL111111111 0.4688 18 C 4.0166 0.3901 -0.1753 C.3 1 UNL111111111 0.4550 19 C -3.2116 -2.2179 -0.7428 C.3 1 UNL111111111 -0.2816 20 C 0.9894 0.3987 1.1547 C.3 1 UNL111111111 -0.4569 21 C -4.6259 1.2222 0.3905 C.3 1 UNL111111111 -0.2896 22 C -5.5472 -1.5450 -0.0812 C.3 1 UNL111111111 -0.3197 23 C -3.3470 -0.4521 1.7655 C.3 1 UNL111111111 -0.4589 24 C -6.0063 0.7634 0.8703 C.3 1 UNL111111111 -0.3357 25 C 3.1854 2.6622 0.7564 C.3 1 UNL111111111 -0.4418 26 C 5.5234 0.4072 -0.4523 C.3 1 UNL111111111 -0.3468 27 C -6.5329 -0.3726 -0.0164 C.3 1 UNL111111111 0.1678 28 C 6.1327 -0.9879 -0.2522 C.3 1 UNL111111111 -0.2607 29 C 5.2663 -1.8465 0.6867 C.3 1 UNL111111111 -0.1298 30 C 4.6027 -0.9422 1.7288 C.3 1 UNL111111111 -0.0349 31 C 6.0984 -2.9270 1.3755 C.3 1 UNL111111111 -0.4520 32 H -0.3399 0.4698 -2.0960 H 1 UNL111111111 0.1390 33 H -1.0317 -1.0473 0.5008 H 1 UNL111111111 0.1499 34 H 1.6499 2.0523 -1.8363 H 1 UNL111111111 0.1554 35 H -2.5473 0.9304 -1.3449 H 1 UNL111111111 0.1376 36 H 2.6100 0.0178 -2.7863 H 1 UNL111111111 0.1221 37 H 1.3208 -1.7448 -0.7189 H 1 UNL111111111 0.1661 38 H 0.8927 -1.6120 -2.4253 H 1 UNL111111111 0.1421 39 H 3.8500 2.2692 -1.2394 H 1 UNL111111111 0.1438 40 H -4.3436 -0.5872 -1.5940 H 1 UNL111111111 0.1346 41 H -1.5875 1.4983 1.5303 H 1 UNL111111111 0.1734 42 H -2.3290 2.6211 0.3866 H 1 UNL111111111 0.1688 43 H -1.1886 -2.5629 -1.4618 H 1 UNL111111111 0.1393 44 H -2.0802 -1.3544 -2.3891 H 1 UNL111111111 0.1375 45 H -3.0218 -2.6998 0.2334 H 1 UNL111111111 0.1423 46 H -3.6605 -3.0013 -1.3809 H 1 UNL111111111 0.1346 47 H 1.6498 -0.4805 1.0711 H 1 UNL111111111 0.1863 48 H 0.0904 0.0782 1.6891 H 1 UNL111111111 0.1413 49 H 1.5167 1.1163 1.7948 H 1 UNL111111111 0.1624 50 H -4.2571 2.0212 1.0611 H 1 UNL111111111 0.1423 51 H -4.7127 1.6823 -0.6118 H 1 UNL111111111 0.1381 52 H -5.9487 -2.3329 -0.7456 H 1 UNL111111111 0.1504 53 H -5.4637 -2.0219 0.9133 H 1 UNL111111111 0.1591 54 H -2.5482 -1.2010 1.7935 H 1 UNL111111111 0.1486 55 H -4.2416 -0.9251 2.1877 H 1 UNL111111111 0.1510 56 H -3.0659 0.3611 2.4424 H 1 UNL111111111 0.1428 57 H -6.7110 1.6137 0.8681 H 1 UNL111111111 0.1350 58 H -5.9560 0.4175 1.9211 H 1 UNL111111111 0.1569 59 H 3.0193 2.1240 1.6994 H 1 UNL111111111 0.1629 60 H 2.3542 3.3739 0.6327 H 1 UNL111111111 0.1697 61 H 4.1064 3.2414 0.8834 H 1 UNL111111111 0.1402 62 H 5.9988 1.1398 0.2270 H 1 UNL111111111 0.1536 63 H 5.7145 0.7590 -1.4820 H 1 UNL111111111 0.1525 64 H -6.7982 -0.0065 -1.0322 H 1 UNL111111111 0.1103 65 H 6.2261 -1.5010 -1.2284 H 1 UNL111111111 0.1426 66 H 7.1599 -0.8935 0.1432 H 1 UNL111111111 0.1352 67 H 4.4584 -2.3321 0.0797 H 1 UNL111111111 0.1638 68 H 5.3429 -0.3726 2.3179 H 1 UNL111111111 0.1218 69 H 3.9350 -1.5013 2.4081 H 1 UNL111111111 0.1306 70 H -8.3737 -0.2485 0.7298 H 1 UNL111111111 0.3123 71 H 6.8735 -2.4967 2.0192 H 1 UNL111111111 0.1441 72 H 6.5997 -3.5664 0.6395 H 1 UNL111111111 0.1473 73 H 5.4725 -3.5763 1.9983 H 1 UNL111111111 0.1449 @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