@MOLECULE (25r)-3beta-hydroxy-5alpha-spirostan-11-one 73 78 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.2338 -1.0551 -0.3157 O.3 1 UNL1111111111 -0.4750 2 O 5.1187 0.1204 -0.8711 O.3 1 UNL1111111111 -0.4261 3 O -2.1883 2.5130 0.7023 O.2 1 UNL1111111111 -0.4749 4 O -7.9578 -0.5228 0.4244 O.3 1 UNL1111111111 -0.5687 5 C 0.5819 0.7620 -0.3512 C.3 1 UNL1111111111 0.0876 6 C -0.1160 -0.4897 -0.9736 C.3 1 UNL1111111111 -0.1519 7 C 1.9249 0.7640 -1.1259 C.3 1 UNL1111111111 -0.1938 8 C -1.4249 -0.8027 -0.2494 C.3 1 UNL1111111111 -0.1012 9 C -2.3788 0.4076 -0.4426 C.3 1 UNL1111111111 -0.2621 10 C 2.2590 -0.7517 -1.2986 C.3 1 UNL1111111111 0.1285 11 C 0.9871 -1.5571 -0.9688 C.3 1 UNL1111111111 -0.3148 12 C -3.7396 0.1601 0.2703 C.3 1 UNL1111111111 0.0964 13 C 3.1497 1.3512 -0.4074 C.3 1 UNL1111111111 -0.1489 14 C -0.3168 1.9702 -0.6225 C.3 1 UNL1111111111 -0.4152 15 C -4.3396 -1.1425 -0.3373 C.3 1 UNL1111111111 -0.1158 16 C -2.0634 -2.0813 -0.8101 C.3 1 UNL1111111111 -0.2808 17 C 4.0009 0.1050 -0.0193 C.3 1 UNL1111111111 0.4410 18 C -1.6882 1.6970 -0.0297 C.2 1 UNL1111111111 0.4868 19 C -3.4093 -2.3450 -0.1292 C.3 1 UNL1111111111 -0.2829 20 C 0.7936 0.6244 1.1601 C.3 1 UNL1111111111 -0.4669 21 C -4.7122 1.3177 -0.0657 C.3 1 UNL1111111111 -0.3001 22 C -5.7321 -1.4358 0.2333 C.3 1 UNL1111111111 -0.3493 23 C -3.5453 0.0672 1.7865 C.3 1 UNL1111111111 -0.4641 24 C 3.9216 2.3186 -1.3007 C.3 1 UNL1111111111 -0.4380 25 C 4.3991 -0.0422 1.4548 C.3 1 UNL1111111111 -0.3430 26 C -6.1322 1.0577 0.4435 C.3 1 UNL1111111111 -0.3263 27 C -6.6722 -0.2695 -0.1024 C.3 1 UNL1111111111 0.1692 28 C 5.8526 0.3966 1.6357 C.3 1 UNL1111111111 -0.2595 29 C 6.8039 -0.4610 0.7792 C.3 1 UNL1111111111 -0.1240 30 C 6.1054 -0.8402 -0.5430 C.3 1 UNL1111111111 -0.0410 31 C 7.2382 -1.7262 1.5221 C.3 1 UNL1111111111 -0.4527 32 H -0.3615 -0.2636 -2.0426 H 1 UNL1111111111 0.1378 33 H 1.7817 1.2485 -2.1116 H 1 UNL1111111111 0.1484 34 H -1.2334 -0.9549 0.8393 H 1 UNL1111111111 0.1507 35 H -2.5908 0.5056 -1.5397 H 1 UNL1111111111 0.1606 36 H 2.6938 -0.9922 -2.2836 H 1 UNL1111111111 0.1240 37 H 1.0855 -2.0476 0.0165 H 1 UNL1111111111 0.1661 38 H 0.8044 -2.3591 -1.6965 H 1 UNL1111111111 0.1417 39 H 2.8512 1.8938 0.5172 H 1 UNL1111111111 0.1534 40 H -0.4093 2.1784 -1.7037 H 1 UNL1111111111 0.1632 41 H 0.1134 2.8909 -0.1796 H 1 UNL1111111111 0.1773 42 H -4.4484 -0.9795 -1.4398 H 1 UNL1111111111 0.1338 43 H -1.3837 -2.9398 -0.6524 H 1 UNL1111111111 0.1405 44 H -2.1981 -1.9994 -1.9042 H 1 UNL1111111111 0.1383 45 H -3.8716 -3.2598 -0.5441 H 1 UNL1111111111 0.1355 46 H -3.2669 -2.5444 0.9485 H 1 UNL1111111111 0.1427 47 H -0.1472 0.4568 1.6975 H 1 UNL1111111111 0.1524 48 H 1.4612 -0.2172 1.3900 H 1 UNL1111111111 0.1650 49 H 1.2338 1.5317 1.5895 H 1 UNL1111111111 0.1482 50 H -4.7306 1.4902 -1.1565 H 1 UNL1111111111 0.1324 51 H -4.3372 2.2616 0.3831 H 1 UNL1111111111 0.1718 52 H -6.1385 -2.3727 -0.1906 H 1 UNL1111111111 0.1486 53 H -5.6866 -1.5992 1.3237 H 1 UNL1111111111 0.1459 54 H -4.4895 -0.1310 2.3036 H 1 UNL1111111111 0.1460 55 H -2.8479 -0.7273 2.0669 H 1 UNL1111111111 0.1414 56 H -3.1528 1.0119 2.1886 H 1 UNL1111111111 0.1671 57 H 3.3303 3.2109 -1.5287 H 1 UNL1111111111 0.1415 58 H 4.8537 2.6414 -0.8188 H 1 UNL1111111111 0.1540 59 H 4.2131 1.8498 -2.2503 H 1 UNL1111111111 0.1590 60 H 4.2744 -1.1009 1.7652 H 1 UNL1111111111 0.1675 61 H 3.7234 0.5382 2.1051 H 1 UNL1111111111 0.1487 62 H -6.1483 1.0531 1.5490 H 1 UNL1111111111 0.1444 63 H -6.8031 1.8849 0.1426 H 1 UNL1111111111 0.1498 64 H -6.8803 -0.2121 -1.1947 H 1 UNL1111111111 0.1373 65 H 5.9551 1.4604 1.3429 H 1 UNL1111111111 0.1426 66 H 6.1405 0.3427 2.7009 H 1 UNL1111111111 0.1393 67 H 7.7093 0.1484 0.5473 H 1 UNL1111111111 0.1346 68 H 6.7873 -0.7848 -1.4087 H 1 UNL1111111111 0.1328 69 H 5.6441 -1.8424 -0.5045 H 1 UNL1111111111 0.1348 70 H -7.9409 -0.5848 1.3964 H 1 UNL1111111111 0.3119 71 H 7.8051 -1.4823 2.4273 H 1 UNL1111111111 0.1439 72 H 6.3751 -2.3290 1.8287 H 1 UNL1111111111 0.1493 73 H 7.8773 -2.3582 0.8957 H 1 UNL1111111111 0.1431 @BOND 1 1 10 1 2 1 17 1 3 2 17 1 4 2 30 1 5 3 18 2 6 4 27 1 7 4 70 1 8 5 6 1 9 5 7 1 10 5 14 1 11 5 20 1 12 6 8 1 13 6 11 1 14 6 32 1 15 7 10 1 16 7 13 1 17 7 33 1 18 8 9 1 19 8 16 1 20 8 34 1 21 9 12 1 22 9 18 1 23 9 35 1 24 10 11 1 25 10 36 1 26 11 37 1 27 11 38 1 28 12 15 1 29 12 21 1 30 12 23 1 31 13 17 1 32 13 24 1 33 13 39 1 34 14 18 1 35 14 40 1 36 14 41 1 37 15 19 1 38 15 22 1 39 15 42 1 40 16 19 1 41 16 43 1 42 16 44 1 43 17 25 1 44 19 45 1 45 19 46 1 46 20 47 1 47 20 48 1 48 20 49 1 49 21 26 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 57 1 59 24 58 1 60 24 59 1 61 25 28 1 62 25 60 1 63 25 61 1 64 26 27 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