@MOLECULE 3-[(8r,9s,10r,13s,14s,17s)-17-hydroxy-10,13-dimethyl-3-oxo-2,3,8,9,10,11,12,13,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]propanoic acid 56 59 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.6856 -0.1888 1.6952 O.3 1 UNL1111111111 -0.5800 2 O 7.0899 0.4819 0.8506 O.2 1 UNL1111111111 -0.4668 3 O -7.4717 0.2022 0.6353 O.3 1 UNL1111111111 -0.5735 4 O -6.3979 1.6063 -0.7177 O.2 1 UNL1111111111 -0.5160 5 C -1.3021 0.0854 -0.2908 C.3 1 UNL1111111111 0.0124 6 C -0.4020 -1.1314 0.0731 C.3 1 UNL1111111111 -0.1406 7 C 0.9913 -0.9632 -0.5323 C.3 1 UNL1111111111 -0.1476 8 C -2.6697 -0.3944 0.2958 C.3 1 UNL1111111111 0.2924 9 C 1.6200 0.2876 0.1435 C.3 1 UNL1111111111 -0.1259 10 C -0.7059 1.3326 0.3625 C.3 1 UNL1111111111 -0.2853 11 C -1.2511 -2.3464 -0.3306 C.3 1 UNL1111111111 -0.2830 12 C 0.7497 1.5338 -0.0994 C.3 1 UNL1111111111 -0.2814 13 C -2.6999 -1.9214 -0.0013 C.3 1 UNL1111111111 -0.3415 14 C 3.0929 0.4681 -0.3211 C.3 1 UNL1111111111 0.0417 15 C -1.4501 0.3017 -1.8009 C.3 1 UNL1111111111 -0.4576 16 C -3.8973 0.3738 -0.1976 C.3 1 UNL1111111111 -0.2879 17 C 1.8522 -2.1631 -0.3242 C.2 1 UNL1111111111 -0.1105 18 C 3.8663 -0.7913 0.0227 C.2 1 UNL1111111111 0.0910 19 C 3.7067 1.6725 0.4306 C.3 1 UNL1111111111 -0.2770 20 C 3.1973 0.6815 -1.8380 C.3 1 UNL1111111111 -0.4528 21 C 3.1671 -2.0683 -0.0873 C.2 1 UNL1111111111 -0.2191 22 C -5.1420 -0.0185 0.6003 C.3 1 UNL1111111111 -0.3342 23 C 5.2161 1.7843 0.2286 C.3 1 UNL1111111111 -0.3791 24 C 5.1546 -0.7593 0.4039 C.2 1 UNL1111111111 -0.3438 25 C 5.9228 0.4859 0.5331 C.2 1 UNL1111111111 0.4884 26 C -6.3359 0.7053 0.0768 C.2 1 UNL1111111111 0.6484 27 H -0.2739 -1.1649 1.1862 H 1 UNL1111111111 0.1349 28 H 0.9058 -0.7893 -1.6375 H 1 UNL1111111111 0.1629 29 H 1.6454 0.0972 1.2469 H 1 UNL1111111111 0.1447 30 H -0.7502 1.2532 1.4654 H 1 UNL1111111111 0.1499 31 H -1.3080 2.2266 0.1138 H 1 UNL1111111111 0.1473 32 H -0.9584 -3.2551 0.2158 H 1 UNL1111111111 0.1373 33 H -1.1353 -2.5789 -1.4014 H 1 UNL1111111111 0.1432 34 H 0.7660 1.8057 -1.1710 H 1 UNL1111111111 0.1427 35 H 1.1752 2.4026 0.4391 H 1 UNL1111111111 0.1407 36 H -3.3786 -2.1501 -0.8360 H 1 UNL1111111111 0.1501 37 H -3.0922 -2.4682 0.8714 H 1 UNL1111111111 0.1531 38 H -1.9164 -0.5578 -2.2943 H 1 UNL1111111111 0.1484 39 H -2.0607 1.1869 -2.0169 H 1 UNL1111111111 0.1531 40 H -0.4813 0.4643 -2.2869 H 1 UNL1111111111 0.1495 41 H -3.7159 1.4655 -0.0935 H 1 UNL1111111111 0.1693 42 H -4.0580 0.1975 -1.2788 H 1 UNL1111111111 0.1588 43 H 1.3496 -3.1261 -0.3978 H 1 UNL1111111111 0.1488 44 H 3.4846 1.5813 1.5129 H 1 UNL1111111111 0.1481 45 H 3.2216 2.6097 0.0968 H 1 UNL1111111111 0.1460 46 H 4.2422 0.7962 -2.1521 H 1 UNL1111111111 0.1559 47 H 2.7915 -0.1706 -2.3951 H 1 UNL1111111111 0.1503 48 H 2.6567 1.5785 -2.1559 H 1 UNL1111111111 0.1485 49 H 3.7807 -2.9617 0.0450 H 1 UNL1111111111 0.1625 50 H -1.9643 -0.6742 2.1387 H 1 UNL1111111111 0.3206 51 H -5.3078 -1.1165 0.5805 H 1 UNL1111111111 0.1807 52 H -4.9961 0.2201 1.6828 H 1 UNL1111111111 0.2051 53 H 5.6336 2.5944 0.8625 H 1 UNL1111111111 0.1728 54 H 5.4583 2.0830 -0.8125 H 1 UNL1111111111 0.1703 55 H 5.7150 -1.6638 0.6425 H 1 UNL1111111111 0.1794 56 H -8.2961 0.6546 0.3358 H 1 UNL1111111111 0.3545 @BOND 1 1 8 1 2 1 50 1 3 2 25 2 4 3 26 1 5 3 56 1 6 4 26 2 7 5 6 1 8 5 8 1 9 5 10 1 10 5 15 1 11 6 7 1 12 6 11 1 13 6 27 1 14 7 9 1 15 7 17 1 16 7 28 1 17 8 13 1 18 8 16 1 19 9 12 1 20 9 14 1 21 9 29 1 22 10 12 1 23 10 30 1 24 10 31 1 25 11 13 1 26 11 32 1 27 11 33 1 28 12 34 1 29 12 35 1 30 13 36 1 31 13 37 1 32 14 18 1 33 14 19 1 34 14 20 1 35 15 38 1 36 15 39 1 37 15 40 1 38 16 22 1 39 16 41 1 40 16 42 1 41 17 21 2 42 17 43 1 43 18 21 1 44 18 24 2 45 19 23 1 46 19 44 1 47 19 45 1 48 20 46 1 49 20 47 1 50 20 48 1 51 21 49 1 52 22 26 1 53 22 51 1 54 22 52 1 55 23 25 1 56 23 53 1 57 23 54 1 58 24 25 1 59 24 55 1