@MOLECULE (5beta)-androstan-3-one 50 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.6913 0.2083 1.5413 O.2 1 UNL1111111111 -0.4713 2 C 0.7876 0.6872 -0.4576 C.3 1 UNL1111111111 -0.1238 3 C -0.1756 -0.4638 -0.0560 C.3 1 UNL1111111111 -0.1266 4 C 2.0130 0.5933 0.4509 C.3 1 UNL1111111111 -0.1442 5 C -1.4631 -0.4251 -0.9192 C.3 1 UNL1111111111 0.0641 6 C 2.7707 -0.7454 0.2291 C.3 1 UNL1111111111 0.0823 7 C -2.1546 0.9596 -0.7679 C.3 1 UNL1111111111 -0.0996 8 C 0.5303 -1.8338 -0.1254 C.3 1 UNL1111111111 -0.2797 9 C 1.8405 -1.8758 0.6823 C.3 1 UNL1111111111 -0.2997 10 C 0.0969 2.0482 -0.2930 C.3 1 UNL1111111111 -0.2803 11 C 3.1149 1.6551 0.3215 C.3 1 UNL1111111111 -0.2788 12 C 4.0300 -0.5283 1.1025 C.3 1 UNL1111111111 -0.2972 13 C -1.1911 2.1066 -1.1186 C.3 1 UNL1111111111 -0.2785 14 C -2.4716 -1.5228 -0.4960 C.3 1 UNL1111111111 -0.2834 15 C 4.3571 0.9787 0.9549 C.3 1 UNL1111111111 -0.2600 16 C -1.1527 -0.6681 -2.4083 C.3 1 UNL1111111111 -0.4670 17 C 3.2213 -0.9773 -1.2200 C.3 1 UNL1111111111 -0.4588 18 C -2.7225 1.1820 0.6440 C.3 1 UNL1111111111 -0.3998 19 C -3.0025 -1.3439 0.9254 C.3 1 UNL1111111111 -0.3839 20 C -3.5926 0.0340 1.0770 C.2 1 UNL1111111111 0.4915 21 H 1.0946 0.5653 -1.5202 H 1 UNL1111111111 0.1405 22 H -0.4736 -0.2955 1.0081 H 1 UNL1111111111 0.1364 23 H 1.6533 0.6159 1.5118 H 1 UNL1111111111 0.1378 24 H -3.0103 0.9916 -1.4880 H 1 UNL1111111111 0.1360 25 H 0.7414 -2.0966 -1.1782 H 1 UNL1111111111 0.1403 26 H -0.1485 -2.6200 0.2548 H 1 UNL1111111111 0.1349 27 H 1.6224 -1.7845 1.7619 H 1 UNL1111111111 0.1378 28 H 2.3302 -2.8570 0.5537 H 1 UNL1111111111 0.1378 29 H 0.7834 2.8563 -0.6087 H 1 UNL1111111111 0.1363 30 H -0.1175 2.2416 0.7741 H 1 UNL1111111111 0.1377 31 H 2.8510 2.5886 0.8379 H 1 UNL1111111111 0.1317 32 H 3.2977 1.9186 -0.7315 H 1 UNL1111111111 0.1362 33 H 4.8690 -1.1612 0.7842 H 1 UNL1111111111 0.1357 34 H 3.8299 -0.7845 2.1540 H 1 UNL1111111111 0.1343 35 H -1.6938 3.0800 -0.9646 H 1 UNL1111111111 0.1370 36 H -0.9459 2.0680 -2.1972 H 1 UNL1111111111 0.1390 37 H -2.0073 -2.5214 -0.5994 H 1 UNL1111111111 0.1447 38 H -3.3234 -1.5239 -1.2062 H 1 UNL1111111111 0.1452 39 H 5.2456 1.1274 0.3234 H 1 UNL1111111111 0.1310 40 H 4.5901 1.4237 1.9338 H 1 UNL1111111111 0.1307 41 H -0.4005 0.0326 -2.7857 H 1 UNL1111111111 0.1505 42 H -0.7668 -1.6786 -2.5777 H 1 UNL1111111111 0.1453 43 H -2.0469 -0.5508 -3.0295 H 1 UNL1111111111 0.1450 44 H 3.8931 -0.1815 -1.5597 H 1 UNL1111111111 0.1476 45 H 3.7572 -1.9276 -1.3134 H 1 UNL1111111111 0.1419 46 H 2.3763 -1.0067 -1.9150 H 1 UNL1111111111 0.1450 47 H -3.2963 2.1310 0.6744 H 1 UNL1111111111 0.1698 48 H -1.9026 1.3113 1.3802 H 1 UNL1111111111 0.1721 49 H -2.1977 -1.4898 1.6731 H 1 UNL1111111111 0.1673 50 H -3.7648 -2.1170 1.1537 H 1 UNL1111111111 0.1691 @BOND 1 1 20 2 2 2 3 1 3 2 4 1 4 2 10 1 5 2 21 1 6 3 5 1 7 3 8 1 8 3 22 1 9 4 6 1 10 4 11 1 11 4 23 1 12 5 7 1 13 5 14 1 14 5 16 1 15 6 9 1 16 6 12 1 17 6 17 1 18 7 13 1 19 7 18 1 20 7 24 1 21 8 9 1 22 8 25 1 23 8 26 1 24 9 27 1 25 9 28 1 26 10 13 1 27 10 29 1 28 10 30 1 29 11 15 1 30 11 31 1 31 11 32 1 32 12 15 1 33 12 33 1 34 12 34 1 35 13 35 1 36 13 36 1 37 14 19 1 38 14 37 1 39 14 38 1 40 15 39 1 41 15 40 1 42 16 41 1 43 16 42 1 44 16 43 1 45 17 44 1 46 17 45 1 47 17 46 1 48 18 20 1 49 18 47 1 50 18 48 1 51 19 20 1 52 19 49 1 53 19 50 1