@MOLECULE (3beta,5alpha,25s)-spirostan-3,27-diol 75 80 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.8555 -0.7539 -0.5795 O.3 1 UNL1111111111 -0.4726 2 O 4.6577 0.5681 -1.0689 O.3 1 UNL1111111111 -0.4212 3 O -8.3037 -0.5187 0.5506 O.3 1 UNL1111111111 -0.5768 4 O 7.8671 -1.6657 1.7221 O.3 1 UNL1111111111 -0.5456 5 C 0.1812 0.9371 -0.1137 C.3 1 UNL1111111111 0.0773 6 C -0.5209 -0.1488 -0.9891 C.3 1 UNL1111111111 -0.1410 7 C 1.4838 1.1575 -0.9328 C.3 1 UNL1111111111 -0.2021 8 C -1.8098 -0.6438 -0.3335 C.3 1 UNL1111111111 -0.1148 9 C -2.7708 0.5719 -0.2313 C.3 1 UNL1111111111 -0.1387 10 C 1.8389 -0.2747 -1.4468 C.3 1 UNL1111111111 0.1272 11 C -4.1297 0.1486 0.4030 C.3 1 UNL1111111111 0.0661 12 C 0.5963 -1.1654 -1.2662 C.3 1 UNL1111111111 -0.3209 13 C -0.7519 2.1507 -0.0570 C.3 1 UNL1111111111 -0.2945 14 C -2.1133 1.7393 0.5325 C.3 1 UNL1111111111 -0.2784 15 C 2.7345 1.6119 -0.1628 C.3 1 UNL1111111111 -0.1495 16 C -4.7265 -0.9653 -0.5043 C.3 1 UNL1111111111 -0.1119 17 C -2.4427 -1.7650 -1.1715 C.3 1 UNL1111111111 -0.2840 18 C 3.6368 0.3424 -0.1240 C.3 1 UNL1111111111 0.4389 19 C -3.7935 -2.1817 -0.5822 C.3 1 UNL1111111111 -0.2818 20 C 0.4942 0.4423 1.3032 C.3 1 UNL1111111111 -0.4629 21 C -5.1077 1.3509 0.3732 C.3 1 UNL1111111111 -0.2956 22 C -6.1224 -1.3939 -0.0326 C.3 1 UNL1111111111 -0.3543 23 C -3.9439 -0.3184 1.8514 C.3 1 UNL1111111111 -0.4582 24 C 3.4269 2.7902 -0.8420 C.3 1 UNL1111111111 -0.4377 25 C -6.5230 0.9656 0.8111 C.3 1 UNL1111111111 -0.2973 26 C 4.1937 -0.0880 1.2375 C.3 1 UNL1111111111 -0.3417 27 C -7.0614 -0.1810 -0.0514 C.3 1 UNL1111111111 0.1692 28 C 5.6674 0.3070 1.3400 C.3 1 UNL1111111111 -0.2510 29 C 5.6614 -0.4269 -1.0722 C.3 1 UNL1111111111 -0.0388 30 C 6.5000 -0.3360 0.2177 C.3 1 UNL1111111111 -0.2005 31 C 6.9789 -1.7364 0.6255 C.3 1 UNL1111111111 -0.0115 32 H -0.8011 0.3200 -1.9677 H 1 UNL1111111111 0.1357 33 H 1.2757 1.8404 -1.7787 H 1 UNL1111111111 0.1473 34 H -1.5938 -1.0383 0.6855 H 1 UNL1111111111 0.1434 35 H -2.9804 0.9243 -1.2710 H 1 UNL1111111111 0.1332 36 H 2.2474 -0.2811 -2.4710 H 1 UNL1111111111 0.1231 37 H 0.7374 -1.8625 -0.4214 H 1 UNL1111111111 0.1647 38 H 0.3957 -1.7838 -2.1511 H 1 UNL1111111111 0.1406 39 H -0.8919 2.5793 -1.0655 H 1 UNL1111111111 0.1357 40 H -0.3039 2.9547 0.5535 H 1 UNL1111111111 0.1379 41 H -1.9862 1.4687 1.5971 H 1 UNL1111111111 0.1428 42 H -2.7865 2.6164 0.5214 H 1 UNL1111111111 0.1322 43 H 2.4748 1.9096 0.8771 H 1 UNL1111111111 0.1518 44 H -4.8265 -0.5398 -1.5340 H 1 UNL1111111111 0.1333 45 H -1.7609 -2.6349 -1.2082 H 1 UNL1111111111 0.1383 46 H -2.5703 -1.4348 -2.2187 H 1 UNL1111111111 0.1369 47 H -4.2496 -2.9725 -1.2053 H 1 UNL1111111111 0.1327 48 H -3.6563 -2.6287 0.4191 H 1 UNL1111111111 0.1420 49 H -0.3915 0.0256 1.7952 H 1 UNL1111111111 0.1496 50 H 1.2551 -0.3498 1.2863 H 1 UNL1111111111 0.1623 51 H 0.8607 1.2536 1.9399 H 1 UNL1111111111 0.1394 52 H -5.1352 1.7822 -0.6444 H 1 UNL1111111111 0.1360 53 H -4.7331 2.1550 1.0343 H 1 UNL1111111111 0.1410 54 H -6.5159 -2.1975 -0.6785 H 1 UNL1111111111 0.1351 55 H -6.0804 -1.8210 0.9872 H 1 UNL1111111111 0.1584 56 H -4.8787 -0.7091 2.2697 H 1 UNL1111111111 0.1509 57 H -3.1961 -1.1143 1.9298 H 1 UNL1111111111 0.1463 58 H -3.6213 0.5041 2.4984 H 1 UNL1111111111 0.1429 59 H 2.8017 3.6884 -0.8164 H 1 UNL1111111111 0.1409 60 H 4.3804 3.0235 -0.3516 H 1 UNL1111111111 0.1517 61 H 3.6636 2.5707 -1.8919 H 1 UNL1111111111 0.1590 62 H -6.5411 0.6652 1.8771 H 1 UNL1111111111 0.1578 63 H -7.2032 1.8354 0.7435 H 1 UNL1111111111 0.1471 64 H 4.0781 -1.1862 1.3538 H 1 UNL1111111111 0.1681 65 H 3.6072 0.3560 2.0599 H 1 UNL1111111111 0.1503 66 H -7.2727 0.1537 -1.0904 H 1 UNL1111111111 0.1096 67 H 5.7588 1.4094 1.2834 H 1 UNL1111111111 0.1414 68 H 6.0769 0.0118 2.3271 H 1 UNL1111111111 0.1559 69 H 6.2465 -0.1735 -1.9732 H 1 UNL1111111111 0.1343 70 H 5.1951 -1.4197 -1.2059 H 1 UNL1111111111 0.1351 71 H 7.3897 0.3089 0.0288 H 1 UNL1111111111 0.1384 72 H -8.6804 -1.3210 0.1494 H 1 UNL1111111111 0.3124 73 H 7.4810 -2.2619 -0.2052 H 1 UNL1111111111 0.1124 74 H 6.1573 -2.3655 1.0181 H 1 UNL1111111111 0.1484 75 H 8.6205 -1.0779 1.5224 H 1 UNL1111111111 0.3080 @BOND 1 1 10 1 2 1 18 1 3 2 18 1 4 2 29 1 5 3 27 1 6 3 72 1 7 4 31 1 8 4 75 1 9 5 6 1 10 5 7 1 11 5 13 1 12 5 20 1 13 6 8 1 14 6 12 1 15 6 32 1 16 7 10 1 17 7 15 1 18 7 33 1 19 8 9 1 20 8 17 1 21 8 34 1 22 9 11 1 23 9 14 1 24 9 35 1 25 10 12 1 26 10 36 1 27 11 16 1 28 11 21 1 29 11 23 1 30 12 37 1 31 12 38 1 32 13 14 1 33 13 39 1 34 13 40 1 35 14 41 1 36 14 42 1 37 15 18 1 38 15 24 1 39 15 43 1 40 16 19 1 41 16 22 1 42 16 44 1 43 17 19 1 44 17 45 1 45 17 46 1 46 18 26 1 47 19 47 1 48 19 48 1 49 20 49 1 50 20 50 1 51 20 51 1 52 21 25 1 53 21 52 1 54 21 53 1 55 22 27 1 56 22 54 1 57 22 55 1 58 23 56 1 59 23 57 1 60 23 58 1 61 24 59 1 62 24 60 1 63 24 61 1 64 25 27 1 65 25 62 1 66 25 63 1 67 26 28 1 68 26 64 1 69 26 65 1 70 27 66 1 71 28 30 1 72 28 67 1 73 28 68 1 74 29 30 1 75 29 69 1 76 29 70 1 77 30 31 1 78 30 71 1 79 31 73 1 80 31 74 1