@MOLECULE 4-ethenylidene-5alpha-androstane-3,17-dione 51 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.4771 0.7888 0.5916 O.2 1 UNL1111111111 -0.4515 2 O 5.2753 0.9119 0.6346 O.2 1 UNL1111111111 -0.4620 3 C -0.2898 0.6320 0.3017 C.3 1 UNL1111111111 -0.1343 4 C -0.9332 -0.6975 -0.1791 C.3 1 UNL1111111111 -0.1138 5 C -2.3489 -0.7323 0.3926 C.3 1 UNL1111111111 -0.1421 6 C 1.1932 0.7321 -0.1623 C.3 1 UNL1111111111 0.0686 7 C -3.2023 0.4199 -0.2013 C.3 1 UNL1111111111 -0.0397 8 C 1.9401 -0.5111 0.3999 C.3 1 UNL1111111111 -0.0961 9 C -1.1363 1.8421 -0.1544 C.3 1 UNL1111111111 -0.2778 10 C -0.1328 -1.9107 0.3115 C.3 1 UNL1111111111 -0.2856 11 C -2.6110 1.7396 0.2848 C.3 1 UNL1111111111 -0.2760 12 C 1.3242 -1.8117 -0.1420 C.3 1 UNL1111111111 -0.2807 13 C -3.2170 -1.9870 0.1846 C.3 1 UNL1111111111 -0.2723 14 C 1.8437 1.9799 0.4837 C.3 1 UNL1111111111 -0.2853 15 C -4.5847 0.0342 0.3221 C.2 1 UNL1111111111 0.4642 16 C -4.6512 -1.4799 0.4493 C.3 1 UNL1111111111 -0.3869 17 C 1.3063 0.8181 -1.6874 C.3 1 UNL1111111111 -0.4579 18 C -3.3313 0.4078 -1.7291 C.3 1 UNL1111111111 -0.4479 19 C 3.4198 -0.4464 0.1585 C.2 1 UNL1111111111 -0.2292 20 C 3.3171 2.1193 0.1109 C.3 1 UNL1111111111 -0.3691 21 C 4.1042 0.8550 0.3384 C.2 1 UNL1111111111 0.4931 22 C 4.1400 -1.5073 -0.1191 C.1 1 UNL1111111111 0.1079 23 C 4.8541 -2.5593 -0.3900 C.2 1 UNL1111111111 -0.3655 24 H -0.2898 0.6261 1.4203 H 1 UNL1111111111 0.1371 25 H -0.9659 -0.7147 -1.2919 H 1 UNL1111111111 0.1428 26 H -2.2681 -0.5712 1.5007 H 1 UNL1111111111 0.1437 27 H 1.8005 -0.5138 1.5184 H 1 UNL1111111111 0.1505 28 H -1.0827 1.9443 -1.2537 H 1 UNL1111111111 0.1418 29 H -0.7087 2.7768 0.2555 H 1 UNL1111111111 0.1368 30 H -0.5887 -2.8412 -0.0740 H 1 UNL1111111111 0.1375 31 H -0.1836 -1.9844 1.4144 H 1 UNL1111111111 0.1409 32 H -2.6904 1.8180 1.3851 H 1 UNL1111111111 0.1444 33 H -3.1890 2.5954 -0.1127 H 1 UNL1111111111 0.1518 34 H 1.8917 -2.6896 0.2234 H 1 UNL1111111111 0.1425 35 H 1.3959 -1.8481 -1.2449 H 1 UNL1111111111 0.1453 36 H -2.9349 -2.8000 0.8697 H 1 UNL1111111111 0.1415 37 H -3.1094 -2.3882 -0.8355 H 1 UNL1111111111 0.1431 38 H 1.7362 1.9269 1.5846 H 1 UNL1111111111 0.1440 39 H 1.3017 2.8943 0.1749 H 1 UNL1111111111 0.1458 40 H -5.0098 -1.7652 1.4536 H 1 UNL1111111111 0.1703 41 H -5.3830 -1.8997 -0.2605 H 1 UNL1111111111 0.1691 42 H 0.6734 0.0749 -2.1837 H 1 UNL1111111111 0.1471 43 H 1.0073 1.8038 -2.0586 H 1 UNL1111111111 0.1450 44 H 2.3344 0.6340 -2.0218 H 1 UNL1111111111 0.1520 45 H -3.6892 -0.5566 -2.1058 H 1 UNL1111111111 0.1481 46 H -4.0352 1.1807 -2.0647 H 1 UNL1111111111 0.1566 47 H -2.3711 0.6087 -2.2178 H 1 UNL1111111111 0.1551 48 H 3.7821 2.9520 0.6816 H 1 UNL1111111111 0.1728 49 H 3.4254 2.4084 -0.9573 H 1 UNL1111111111 0.1723 50 H 5.2965 -3.1927 0.3703 H 1 UNL1111111111 0.1827 51 H 5.0901 -2.8875 -1.3975 H 1 UNL1111111111 0.1791 @BOND 1 1 15 2 2 2 21 2 3 3 4 1 4 3 6 1 5 3 9 1 6 3 24 1 7 4 5 1 8 4 10 1 9 4 25 1 10 5 7 1 11 5 13 1 12 5 26 1 13 6 8 1 14 6 14 1 15 6 17 1 16 7 11 1 17 7 15 1 18 7 18 1 19 8 12 1 20 8 19 1 21 8 27 1 22 9 11 1 23 9 28 1 24 9 29 1 25 10 12 1 26 10 30 1 27 10 31 1 28 11 32 1 29 11 33 1 30 12 34 1 31 12 35 1 32 13 16 1 33 13 36 1 34 13 37 1 35 14 20 1 36 14 38 1 37 14 39 1 38 15 16 1 39 16 40 1 40 16 41 1 41 17 42 1 42 17 43 1 43 17 44 1 44 18 45 1 45 18 46 1 46 18 47 1 47 19 21 1 48 19 22 2 49 20 21 1 50 20 48 1 51 20 49 1 52 22 23 2 53 23 50 1 54 23 51 1