@MOLECULE 17,21-dihydroxypregna-4,9(11)-diene-3,20-dione 53 56 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.2369 0.1990 1.8954 O.3 1 UNL111111111 -0.5737 2 O 4.9076 0.1765 -1.0557 O.2 1 UNL111111111 -0.4479 3 O 5.4785 -2.3507 -0.2704 O.3 1 UNL111111111 -0.5270 4 O -6.4544 -0.6667 0.9410 O.2 1 UNL111111111 -0.4649 5 C 1.7701 0.0354 -0.0560 C.3 1 UNL111111111 0.0324 6 C 0.8711 1.2422 0.3240 C.3 1 UNL111111111 -0.1384 7 C -0.5011 1.1295 -0.3435 C.3 1 UNL111111111 -0.1223 8 C 3.1414 0.5029 0.5194 C.3 1 UNL111111111 0.1713 9 C 1.7291 2.4728 -0.0104 C.3 1 UNL111111111 -0.2805 10 C 3.1773 2.0298 0.2942 C.3 1 UNL111111111 -0.3220 11 C -1.0734 -0.2511 -0.1160 C.2 1 UNL111111111 -0.0384 12 C 1.1557 -1.2042 0.5956 C.3 1 UNL111111111 -0.2897 13 C -2.5320 -0.4464 -0.4985 C.3 1 UNL111111111 0.0367 14 C -1.4328 2.2062 0.2297 C.3 1 UNL111111111 -0.2713 15 C 1.9022 -0.1826 -1.5640 C.3 1 UNL111111111 -0.4655 16 C -0.3120 -1.2735 0.3033 C.2 1 UNL111111111 -0.1882 17 C -2.7971 2.1106 -0.4504 C.3 1 UNL111111111 -0.3032 18 C -3.3935 0.7617 -0.1959 C.2 1 UNL111111111 0.1148 19 C 4.3289 -0.2377 -0.0831 C.2 1 UNL111111111 0.4096 20 C -3.1132 -1.6862 0.2295 C.3 1 UNL111111111 -0.2722 21 C -2.5696 -0.6737 -2.0253 C.3 1 UNL111111111 -0.4464 22 C -4.6167 -1.8523 0.0254 C.3 1 UNL111111111 -0.3812 23 C -4.6606 0.6703 0.2346 C.2 1 UNL111111111 -0.3702 24 C 4.7516 -1.5163 0.5992 C.3 1 UNL111111111 -0.0897 25 C -5.3484 -0.6070 0.4584 C.2 1 UNL111111111 0.4930 26 H 0.7053 1.2222 1.4317 H 1 UNL111111111 0.1378 27 H -0.3956 1.2892 -1.4467 H 1 UNL111111111 0.1533 28 H 1.4370 3.3524 0.5816 H 1 UNL111111111 0.1384 29 H 1.6183 2.7636 -1.0684 H 1 UNL111111111 0.1469 30 H 3.8534 2.2872 -0.5432 H 1 UNL111111111 0.1734 31 H 3.5869 2.5436 1.1791 H 1 UNL111111111 0.1546 32 H 1.3184 -1.2000 1.6952 H 1 UNL111111111 0.1634 33 H 1.6594 -2.1248 0.2333 H 1 UNL111111111 0.1564 34 H -0.9957 3.2104 0.0810 H 1 UNL111111111 0.1429 35 H -1.5438 2.0781 1.3243 H 1 UNL111111111 0.1503 36 H 2.5657 -1.0256 -1.7964 H 1 UNL111111111 0.1575 37 H 0.9327 -0.4132 -2.0218 H 1 UNL111111111 0.1578 38 H 2.3103 0.6995 -2.0723 H 1 UNL111111111 0.1596 39 H -0.7185 -2.2732 0.4540 H 1 UNL111111111 0.1500 40 H -2.7006 2.2769 -1.5445 H 1 UNL111111111 0.1590 41 H -3.4589 2.9257 -0.0909 H 1 UNL111111111 0.1576 42 H -2.8958 -1.5994 1.3140 H 1 UNL111111111 0.1528 43 H -2.5981 -2.6024 -0.1203 H 1 UNL111111111 0.1469 44 H -2.0065 -1.5726 -2.3009 H 1 UNL111111111 0.1544 45 H -3.5968 -0.7974 -2.3860 H 1 UNL111111111 0.1553 46 H -2.1278 0.1687 -2.5682 H 1 UNL111111111 0.1476 47 H 2.5864 0.7146 2.4148 H 1 UNL111111111 0.3342 48 H -4.9914 -2.7320 0.5887 H 1 UNL111111111 0.1732 49 H -4.8586 -2.0633 -1.0361 H 1 UNL111111111 0.1695 50 H -5.2687 1.5495 0.4477 H 1 UNL111111111 0.1794 51 H 3.8912 -2.1364 0.9201 H 1 UNL111111111 0.1697 52 H 5.3758 -1.2921 1.4900 H 1 UNL111111111 0.1623 53 H 6.0036 -1.8088 -0.9053 H 1 UNL111111111 0.3308 @BOND 1 1 8 1 2 1 47 1 3 2 19 2 4 3 24 1 5 3 53 1 6 4 25 2 7 5 6 1 8 5 8 1 9 5 12 1 10 5 15 1 11 6 7 1 12 6 9 1 13 6 26 1 14 7 11 1 15 7 14 1 16 7 27 1 17 8 10 1 18 8 19 1 19 9 10 1 20 9 28 1 21 9 29 1 22 10 30 1 23 10 31 1 24 11 13 1 25 11 16 2 26 12 16 1 27 12 32 1 28 12 33 1 29 13 18 1 30 13 20 1 31 13 21 1 32 14 17 1 33 14 34 1 34 14 35 1 35 15 36 1 36 15 37 1 37 15 38 1 38 16 39 1 39 17 18 1 40 17 40 1 41 17 41 1 42 18 23 2 43 19 24 1 44 20 22 1 45 20 42 1 46 20 43 1 47 21 44 1 48 21 45 1 49 21 46 1 50 22 25 1 51 22 48 1 52 22 49 1 53 23 25 1 54 23 50 1 55 24 51 1 56 24 52 1