@MOLECULE 3beta-hydroxy-5alpha-androstan-16-one 51 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.8118 -0.2502 -0.1328 O.3 1 UNL1111111111 -0.5756 2 O 5.5885 -1.1288 -0.3575 O.2 1 UNL1111111111 -0.4608 3 C -0.1766 0.5094 -0.3736 C.3 1 UNL1111111111 -0.1393 4 C 0.7259 -0.5931 0.2476 C.3 1 UNL1111111111 -0.1152 5 C -1.6382 0.3880 0.1520 C.3 1 UNL1111111111 0.0645 6 C 2.1174 -0.4177 -0.3564 C.3 1 UNL1111111111 -0.1393 7 C 2.7292 0.9585 0.0565 C.3 1 UNL1111111111 0.0903 8 C -2.1399 -1.0358 -0.2245 C.3 1 UNL1111111111 -0.1120 9 C 0.4125 1.9150 -0.1356 C.3 1 UNL1111111111 -0.2787 10 C 0.1729 -1.9909 -0.0669 C.3 1 UNL1111111111 -0.2831 11 C 1.8758 2.0458 -0.5997 C.3 1 UNL1111111111 -0.2936 12 C -1.2713 -2.1224 0.4242 C.3 1 UNL1111111111 -0.2825 13 C -2.5324 1.4133 -0.5906 C.3 1 UNL1111111111 -0.2950 14 C 3.2184 -1.4280 -0.0108 C.3 1 UNL1111111111 -0.3981 15 C 4.1769 0.8257 -0.4721 C.3 1 UNL1111111111 -0.4205 16 C -3.6157 -1.2360 0.1452 C.3 1 UNL1111111111 -0.3534 17 C -1.7100 0.6492 1.6607 C.3 1 UNL1111111111 -0.4586 18 C -4.0180 1.2337 -0.2711 C.3 1 UNL1111111111 -0.2973 19 C -4.4684 -0.1954 -0.5929 C.3 1 UNL1111111111 0.1694 20 C 2.7988 1.1764 1.5739 C.3 1 UNL1111111111 -0.4628 21 C 4.4922 -0.6479 -0.2891 C.2 1 UNL1111111111 0.4981 22 H -0.2040 0.3391 -1.4783 H 1 UNL1111111111 0.1344 23 H 0.7651 -0.4649 1.3526 H 1 UNL1111111111 0.1439 24 H 2.0015 -0.4239 -1.4721 H 1 UNL1111111111 0.1417 25 H -2.0478 -1.1394 -1.3358 H 1 UNL1111111111 0.1343 26 H 0.3424 2.1754 0.9369 H 1 UNL1111111111 0.1430 27 H -0.1980 2.6679 -0.6684 H 1 UNL1111111111 0.1350 28 H 0.8070 -2.7615 0.4097 H 1 UNL1111111111 0.1382 29 H 0.2228 -2.1870 -1.1542 H 1 UNL1111111111 0.1385 30 H 1.9302 1.9714 -1.7010 H 1 UNL1111111111 0.1388 31 H 2.2604 3.0499 -0.3453 H 1 UNL1111111111 0.1405 32 H -1.6652 -3.1251 0.1754 H 1 UNL1111111111 0.1351 33 H -1.3145 -2.0472 1.5259 H 1 UNL1111111111 0.1422 34 H -2.3708 1.3261 -1.6811 H 1 UNL1111111111 0.1366 35 H -2.2277 2.4416 -0.3197 H 1 UNL1111111111 0.1411 36 H 3.1651 -2.3496 -0.6117 H 1 UNL1111111111 0.1694 37 H 3.1813 -1.7520 1.0436 H 1 UNL1111111111 0.1736 38 H 4.8950 1.4655 0.0641 H 1 UNL1111111111 0.1740 39 H 4.2629 1.1084 -1.5349 H 1 UNL1111111111 0.1709 40 H -3.9419 -2.2579 -0.1153 H 1 UNL1111111111 0.1363 41 H -3.7665 -1.1412 1.2366 H 1 UNL1111111111 0.1585 42 H -2.7154 0.4554 2.0531 H 1 UNL1111111111 0.1531 43 H -1.0162 0.0118 2.2185 H 1 UNL1111111111 0.1452 44 H -1.4682 1.6902 1.8991 H 1 UNL1111111111 0.1431 45 H -4.2255 1.4561 0.7937 H 1 UNL1111111111 0.1580 46 H -4.6311 1.9558 -0.8428 H 1 UNL1111111111 0.1484 47 H -4.4812 -0.3835 -1.6886 H 1 UNL1111111111 0.1102 48 H 1.8052 1.1788 2.0360 H 1 UNL1111111111 0.1521 49 H 3.3830 0.3945 2.0706 H 1 UNL1111111111 0.1477 50 H 3.2658 2.1394 1.8089 H 1 UNL1111111111 0.1472 51 H -6.1652 -1.1540 -0.1894 H 1 UNL1111111111 0.3127 @BOND 1 1 19 1 2 1 51 1 3 2 21 2 4 3 4 1 5 3 5 1 6 3 9 1 7 3 22 1 8 4 6 1 9 4 10 1 10 4 23 1 11 5 8 1 12 5 13 1 13 5 17 1 14 6 7 1 15 6 14 1 16 6 24 1 17 7 11 1 18 7 15 1 19 7 20 1 20 8 12 1 21 8 16 1 22 8 25 1 23 9 11 1 24 9 26 1 25 9 27 1 26 10 12 1 27 10 28 1 28 10 29 1 29 11 30 1 30 11 31 1 31 12 32 1 32 12 33 1 33 13 18 1 34 13 34 1 35 13 35 1 36 14 21 1 37 14 36 1 38 14 37 1 39 15 21 1 40 15 38 1 41 15 39 1 42 16 19 1 43 16 40 1 44 16 41 1 45 17 42 1 46 17 43 1 47 17 44 1 48 18 19 1 49 18 45 1 50 18 46 1 51 19 47 1 52 20 48 1 53 20 49 1 54 20 50 1