@MOLECULE 2-(10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl)propanoic acid 57 60 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.4742 -2.1434 0.9204 O.3 1 UNL1111111111 -0.5742 2 O -4.3028 -2.0038 -1.2934 O.2 1 UNL1111111111 -0.5128 3 O 6.4160 -0.6983 -1.1079 O.2 1 UNL1111111111 -0.4689 4 C -1.8215 0.2152 0.1799 C.3 1 UNL1111111111 0.0666 5 C -0.8532 1.3194 -0.3374 C.3 1 UNL1111111111 -0.1406 6 C 0.5334 1.1818 0.2892 C.3 1 UNL1111111111 -0.1245 7 C 1.1087 -0.1882 -0.1513 C.3 1 UNL1111111111 -0.1276 8 C -3.1426 0.6788 -0.5057 C.3 1 UNL1111111111 -0.1387 9 C -1.2728 -1.1310 -0.3032 C.3 1 UNL1111111111 -0.3010 10 C 2.5410 -0.4188 0.4173 C.3 1 UNL1111111111 0.0366 11 C -1.6357 2.6205 -0.1069 C.3 1 UNL1111111111 -0.2817 12 C 0.1563 -1.3404 0.2263 C.3 1 UNL1111111111 -0.2744 13 C -3.1155 2.2220 -0.3317 C.3 1 UNL1111111111 -0.2704 14 C 1.4597 2.3036 -0.1963 C.3 1 UNL1111111111 -0.2777 15 C -1.9804 0.2021 1.7042 C.3 1 UNL1111111111 -0.4641 16 C 3.4172 0.7811 0.1211 C.2 1 UNL1111111111 0.1134 17 C -4.4297 0.0466 0.0428 C.3 1 UNL1111111111 -0.1689 18 C 2.8483 2.1336 0.4230 C.3 1 UNL1111111111 -0.3023 19 C 3.1159 -1.6860 -0.2672 C.3 1 UNL1111111111 -0.2763 20 C 2.5378 -0.6095 1.9426 C.3 1 UNL1111111111 -0.4527 21 C 4.6202 -1.8408 -0.0585 C.3 1 UNL1111111111 -0.3826 22 C 4.6755 0.6743 -0.3317 C.2 1 UNL1111111111 -0.3779 23 C -5.6745 0.6005 -0.6558 C.3 1 UNL1111111111 -0.4414 24 C -4.3887 -1.4330 -0.2384 C.2 1 UNL1111111111 0.6390 25 C 5.3391 -0.6142 -0.5653 C.2 1 UNL1111111111 0.4944 26 H -0.7367 1.1884 -1.4455 H 1 UNL1111111111 0.1420 27 H 0.4579 1.2241 1.3983 H 1 UNL1111111111 0.1414 28 H 1.1950 -0.1701 -1.2675 H 1 UNL1111111111 0.1433 29 H -3.0767 0.4376 -1.5949 H 1 UNL1111111111 0.1536 30 H -1.2826 -1.1798 -1.4083 H 1 UNL1111111111 0.1479 31 H -1.9176 -1.9629 0.0351 H 1 UNL1111111111 0.1438 32 H -1.3202 3.4171 -0.7967 H 1 UNL1111111111 0.1341 33 H -1.4776 3.0082 0.9112 H 1 UNL1111111111 0.1376 34 H 0.1241 -1.4610 1.3252 H 1 UNL1111111111 0.1420 35 H 0.5461 -2.2963 -0.1723 H 1 UNL1111111111 0.1383 36 H -3.7338 2.5377 0.5223 H 1 UNL1111111111 0.1364 37 H -3.5301 2.7194 -1.2212 H 1 UNL1111111111 0.1358 38 H 1.0406 3.2902 0.0742 H 1 UNL1111111111 0.1402 39 H 1.5305 2.2971 -1.3005 H 1 UNL1111111111 0.1472 40 H -2.6240 -0.6271 2.0258 H 1 UNL1111111111 0.1553 41 H -1.0193 0.0747 2.2139 H 1 UNL1111111111 0.1486 42 H -2.4191 1.1335 2.0758 H 1 UNL1111111111 0.1457 43 H -4.5098 0.2295 1.1450 H 1 UNL1111111111 0.1784 44 H 2.7938 2.2665 1.5254 H 1 UNL1111111111 0.1575 45 H 3.5178 2.9433 0.0656 H 1 UNL1111111111 0.1544 46 H 2.9005 -1.6482 -1.3544 H 1 UNL1111111111 0.1489 47 H 2.5950 -2.5853 0.1123 H 1 UNL1111111111 0.1459 48 H 2.0735 -1.5594 2.2283 H 1 UNL1111111111 0.1505 49 H 3.5580 -0.6124 2.3447 H 1 UNL1111111111 0.1520 50 H 1.9875 0.1909 2.4485 H 1 UNL1111111111 0.1475 51 H 4.9973 -2.7480 -0.5726 H 1 UNL1111111111 0.1710 52 H 4.8645 -1.9873 1.0125 H 1 UNL1111111111 0.1675 53 H 5.2932 1.5447 -0.5506 H 1 UNL1111111111 0.1780 54 H -5.7692 1.6817 -0.5025 H 1 UNL1111111111 0.1547 55 H -6.5917 0.1356 -0.2735 H 1 UNL1111111111 0.1531 56 H -5.6417 0.4231 -1.7401 H 1 UNL1111111111 0.1640 57 H -4.4711 -3.1220 0.7889 H 1 UNL1111111111 0.3524 @BOND 1 1 24 1 2 1 57 1 3 2 24 2 4 3 25 2 5 4 5 1 6 4 8 1 7 4 9 1 8 4 15 1 9 5 6 1 10 5 11 1 11 5 26 1 12 6 7 1 13 6 14 1 14 6 27 1 15 7 10 1 16 7 12 1 17 7 28 1 18 8 13 1 19 8 17 1 20 8 29 1 21 9 12 1 22 9 30 1 23 9 31 1 24 10 16 1 25 10 19 1 26 10 20 1 27 11 13 1 28 11 32 1 29 11 33 1 30 12 34 1 31 12 35 1 32 13 36 1 33 13 37 1 34 14 18 1 35 14 38 1 36 14 39 1 37 15 40 1 38 15 41 1 39 15 42 1 40 16 18 1 41 16 22 2 42 17 23 1 43 17 24 1 44 17 43 1 45 18 44 1 46 18 45 1 47 19 21 1 48 19 46 1 49 19 47 1 50 20 48 1 51 20 49 1 52 20 50 1 53 21 25 1 54 21 51 1 55 21 52 1 56 22 25 1 57 22 53 1 58 23 54 1 59 23 55 1 60 23 56 1