@MOLECULE 3b,15b,17a-trihydroxy-5-pregnen-20-one 57 60 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.5352 0.4729 1.8684 O.3 1 UNL1111111111 -0.5514 2 O -1.9643 -2.6678 -0.8577 O.3 1 UNL1111111111 -0.5578 3 O -5.0620 0.2521 -1.2210 O.2 1 UNL1111111111 -0.4516 4 O 6.6185 0.2327 0.2717 O.3 1 UNL1111111111 -0.5655 5 C -2.0172 0.4036 -0.0721 C.3 1 UNL1111111111 0.0251 6 C -1.2118 -0.7798 0.5227 C.3 1 UNL1111111111 -0.2063 7 C 0.1963 -0.8544 -0.0566 C.3 1 UNL1111111111 -0.0972 8 C 0.9321 0.4574 0.3110 C.3 1 UNL1111111111 -0.1391 9 C -3.4343 0.1048 0.5124 C.3 1 UNL1111111111 0.1632 10 C 2.3665 0.4685 -0.3034 C.3 1 UNL1111111111 0.0636 11 C -1.3314 1.6868 0.4104 C.3 1 UNL1111111111 -0.2928 12 C -2.1304 -2.0078 0.3678 C.3 1 UNL1111111111 0.1669 13 C 0.1244 1.7070 -0.0964 C.3 1 UNL1111111111 -0.2739 14 C -3.5595 -1.4339 0.5191 C.3 1 UNL1111111111 -0.3590 15 C 0.9436 -2.0549 0.5455 C.3 1 UNL1111111111 -0.2890 16 C -2.1160 0.4098 -1.6004 C.3 1 UNL1111111111 -0.4678 17 C 3.0577 -0.8494 -0.0295 C.2 1 UNL1111111111 -0.0238 18 C 3.1454 1.6300 0.3681 C.3 1 UNL1111111111 -0.2844 19 C 2.4133 -1.9649 0.3325 C.2 1 UNL1111111111 -0.1897 20 C 2.3285 0.6656 -1.8286 C.3 1 UNL1111111111 -0.4536 21 C -4.5697 0.7836 -0.2584 C.2 1 UNL1111111111 0.4498 22 C 4.5418 -0.8884 -0.2405 C.3 1 UNL1111111111 -0.3479 23 C 4.6416 1.6111 0.0546 C.3 1 UNL1111111111 -0.3322 24 C 5.2267 0.2677 0.5017 C.3 1 UNL1111111111 0.1775 25 C -5.0359 2.1152 0.2392 C.3 1 UNL1111111111 -0.5478 26 H -1.1186 -0.6014 1.6297 H 1 UNL1111111111 0.1590 27 H 0.1602 -0.9753 -1.1626 H 1 UNL1111111111 0.1466 28 H 1.0466 0.4721 1.4237 H 1 UNL1111111111 0.1401 29 H -1.3338 1.7445 1.5154 H 1 UNL1111111111 0.1381 30 H -1.8617 2.5839 0.0458 H 1 UNL1111111111 0.1340 31 H -1.9054 -2.8153 1.0944 H 1 UNL1111111111 0.1421 32 H 0.1218 1.8144 -1.1975 H 1 UNL1111111111 0.1466 33 H 0.6266 2.6123 0.2936 H 1 UNL1111111111 0.1350 34 H -4.2140 -1.7949 -0.2963 H 1 UNL1111111111 0.1830 35 H -4.0294 -1.7717 1.4605 H 1 UNL1111111111 0.1733 36 H 0.5407 -2.9904 0.0969 H 1 UNL1111111111 0.1653 37 H 0.7379 -2.1353 1.6341 H 1 UNL1111111111 0.1484 38 H -2.7618 -0.3941 -1.9816 H 1 UNL1111111111 0.1595 39 H -2.5427 1.3503 -1.9705 H 1 UNL1111111111 0.1535 40 H -1.1334 0.2960 -2.0740 H 1 UNL1111111111 0.1597 41 H 3.0016 1.5788 1.4653 H 1 UNL1111111111 0.1421 42 H 2.7145 2.5969 0.0488 H 1 UNL1111111111 0.1387 43 H 2.9481 -2.8982 0.5070 H 1 UNL1111111111 0.1470 44 H 1.7043 -0.0964 -2.3091 H 1 UNL1111111111 0.1506 45 H 1.9367 1.6493 -2.1034 H 1 UNL1111111111 0.1430 46 H 3.3303 0.5856 -2.2648 H 1 UNL1111111111 0.1477 47 H 4.9801 -1.8484 0.1009 H 1 UNL1111111111 0.1591 48 H 4.7683 -0.8398 -1.3247 H 1 UNL1111111111 0.1523 49 H 4.8204 1.7766 -1.0224 H 1 UNL1111111111 0.1429 50 H 5.1582 2.4395 0.5749 H 1 UNL1111111111 0.1507 51 H 5.1724 0.1370 1.6062 H 1 UNL1111111111 0.1441 52 H -3.2244 1.3861 2.0234 H 1 UNL1111111111 0.3154 53 H -2.1388 -2.0702 -1.6137 H 1 UNL1111111111 0.3195 54 H -5.4684 2.0229 1.2486 H 1 UNL1111111111 0.1869 55 H -4.2224 2.8481 0.2848 H 1 UNL1111111111 0.1660 56 H -5.8212 2.5315 -0.4113 H 1 UNL1111111111 0.1830 57 H 6.8315 0.3434 -0.6717 H 1 UNL1111111111 0.3115 @BOND 1 1 9 1 2 1 52 1 3 2 12 1 4 2 53 1 5 3 21 2 6 4 24 1 7 4 57 1 8 5 6 1 9 5 9 1 10 5 11 1 11 5 16 1 12 6 7 1 13 6 12 1 14 6 26 1 15 7 8 1 16 7 15 1 17 7 27 1 18 8 10 1 19 8 13 1 20 8 28 1 21 9 14 1 22 9 21 1 23 10 17 1 24 10 18 1 25 10 20 1 26 11 13 1 27 11 29 1 28 11 30 1 29 12 14 1 30 12 31 1 31 13 32 1 32 13 33 1 33 14 34 1 34 14 35 1 35 15 19 1 36 15 36 1 37 15 37 1 38 16 38 1 39 16 39 1 40 16 40 1 41 17 19 2 42 17 22 1 43 18 23 1 44 18 41 1 45 18 42 1 46 19 43 1 47 20 44 1 48 20 45 1 49 20 46 1 50 21 25 1 51 22 24 1 52 22 47 1 53 22 48 1 54 23 24 1 55 23 49 1 56 23 50 1 57 24 51 1 58 25 54 1 59 25 55 1 60 25 56 1