@MOLECULE (11alpha)-11-hydroxyandrosta-1,4-diene-3,17-dione 46 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.3078 2.5954 -0.4066 O.3 1 UNL1111111111 -0.5763 2 O 4.8055 1.0685 -0.8129 O.2 1 UNL1111111111 -0.4434 3 O -5.3075 -0.0501 -1.3297 O.2 1 UNL1111111111 -0.4564 4 C 0.5547 -0.9657 0.3001 C.3 1 UNL1111111111 -0.1216 5 C 1.8861 -0.8202 -0.4295 C.3 1 UNL1111111111 -0.1436 6 C -0.3068 0.2828 -0.0341 C.3 1 UNL1111111111 -0.1541 7 C 2.6570 0.4091 0.1196 C.3 1 UNL1111111111 -0.0374 8 C 0.4543 1.5989 0.2601 C.3 1 UNL1111111111 0.1575 9 C -1.6794 0.1969 0.7045 C.3 1 UNL1111111111 0.0191 10 C 1.8936 1.6538 -0.2976 C.3 1 UNL1111111111 -0.3481 11 C 2.9130 -1.9654 -0.3598 C.3 1 UNL1111111111 -0.2679 12 C -0.1710 -2.2432 -0.1433 C.3 1 UNL1111111111 -0.2725 13 C 4.0289 0.2038 -0.5242 C.2 1 UNL1111111111 0.4667 14 C 4.2460 -1.2834 -0.7367 C.3 1 UNL1111111111 -0.3861 15 C -2.3185 -1.1101 0.2797 C.2 1 UNL1111111111 0.0844 16 C -1.5276 -2.3489 0.5640 C.3 1 UNL1111111111 -0.2999 17 C 2.9089 0.3964 1.6312 C.3 1 UNL1111111111 -0.4510 18 C -1.5448 0.2131 2.2388 C.3 1 UNL1111111111 -0.4498 19 C -2.5251 1.3918 0.3429 C.2 1 UNL1111111111 -0.0551 20 C -3.4952 -1.1786 -0.3560 C.2 1 UNL1111111111 -0.3456 21 C -3.6957 1.3150 -0.2966 C.2 1 UNL1111111111 -0.3146 22 C -4.2652 0.0241 -0.7174 C.2 1 UNL1111111111 0.4810 23 H 0.7278 -1.0179 1.4000 H 1 UNL1111111111 0.1447 24 H 1.6622 -0.6432 -1.5153 H 1 UNL1111111111 0.1518 25 H -0.5323 0.2799 -1.1331 H 1 UNL1111111111 0.1715 26 H 0.4408 1.8414 1.3453 H 1 UNL1111111111 0.1175 27 H 1.8613 1.7432 -1.4028 H 1 UNL1111111111 0.1668 28 H 2.4095 2.5675 0.0538 H 1 UNL1111111111 0.1588 29 H 2.6622 -2.7848 -1.0501 H 1 UNL1111111111 0.1442 30 H 2.9567 -2.4096 0.6472 H 1 UNL1111111111 0.1423 31 H 0.4462 -3.1319 0.0834 H 1 UNL1111111111 0.1407 32 H -0.3158 -2.2451 -1.2411 H 1 UNL1111111111 0.1508 33 H 4.5275 -1.4827 -1.7864 H 1 UNL1111111111 0.1735 34 H 5.0910 -1.6469 -0.1287 H 1 UNL1111111111 0.1697 35 H -1.3902 -2.4827 1.6562 H 1 UNL1111111111 0.1541 36 H -2.0603 -3.2610 0.2264 H 1 UNL1111111111 0.1553 37 H 3.5765 1.2196 1.9209 H 1 UNL1111111111 0.1594 38 H 1.9829 0.5147 2.2040 H 1 UNL1111111111 0.1532 39 H 3.3757 -0.5387 1.9617 H 1 UNL1111111111 0.1514 40 H -1.1587 1.1727 2.6005 H 1 UNL1111111111 0.1510 41 H -2.5222 0.0554 2.7141 H 1 UNL1111111111 0.1603 42 H -0.8725 -0.5698 2.6027 H 1 UNL1111111111 0.1483 43 H -2.1195 2.3567 0.6626 H 1 UNL1111111111 0.1714 44 H 0.1868 3.4316 -0.4869 H 1 UNL1111111111 0.3208 45 H -3.9476 -2.1204 -0.6621 H 1 UNL1111111111 0.1779 46 H -4.2909 2.1926 -0.5447 H 1 UNL1111111111 0.1790 @BOND 1 1 8 1 2 1 44 1 3 2 13 2 4 3 22 2 5 4 5 1 6 4 6 1 7 4 12 1 8 4 23 1 9 5 7 1 10 5 11 1 11 5 24 1 12 6 8 1 13 6 9 1 14 6 25 1 15 7 10 1 16 7 13 1 17 7 17 1 18 8 10 1 19 8 26 1 20 9 15 1 21 9 18 1 22 9 19 1 23 10 27 1 24 10 28 1 25 11 14 1 26 11 29 1 27 11 30 1 28 12 16 1 29 12 31 1 30 12 32 1 31 13 14 1 32 14 33 1 33 14 34 1 34 15 16 1 35 15 20 2 36 16 35 1 37 16 36 1 38 17 37 1 39 17 38 1 40 17 39 1 41 18 40 1 42 18 41 1 43 18 42 1 44 19 21 2 45 19 43 1 46 20 22 1 47 20 45 1 48 21 22 1 49 21 46 1