@MOLECULE (17beta)-androsta-3,5-diene-3,17-diyl diacetate 59 62 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.0870 -0.7062 0.3326 O.3 1 UNL1111111111 -0.4426 2 O 5.8009 0.2820 -0.3637 O.3 1 UNL1111111111 -0.4322 3 O -6.7620 -0.2310 -1.0925 O.2 1 UNL1111111111 -0.5150 4 O 6.2202 -1.6043 0.8044 O.2 1 UNL1111111111 -0.4972 5 C -2.0385 1.1252 -0.2230 C.3 1 UNL1111111111 -0.1454 6 C -2.7624 -0.2287 0.0197 C.3 1 UNL1111111111 0.0463 7 C -0.5902 1.0663 0.2575 C.3 1 UNL1111111111 -0.1119 8 C 0.1423 -0.0314 -0.5564 C.3 1 UNL1111111111 -0.1304 9 C -2.0952 -1.2684 -0.8827 C.3 1 UNL1111111111 -0.2944 10 C 1.6090 -0.1753 -0.0534 C.3 1 UNL1111111111 0.0664 11 C -4.2098 0.1665 -0.3798 C.3 1 UNL1111111111 0.1089 12 C -0.6036 -1.3816 -0.5210 C.3 1 UNL1111111111 -0.2745 13 C -2.9775 2.1645 0.4108 C.3 1 UNL1111111111 -0.2749 14 C -4.3937 1.6202 0.1153 C.3 1 UNL1111111111 -0.3164 15 C 0.0926 2.4260 0.0336 C.3 1 UNL1111111111 -0.2859 16 C -2.7544 -0.6922 1.4790 C.3 1 UNL1111111111 -0.4439 17 C 2.2654 1.1883 0.0357 C.2 1 UNL1111111111 -0.0107 18 C 2.3929 -1.0395 -1.0752 C.3 1 UNL1111111111 -0.2796 19 C 1.5764 2.3372 0.1035 C.2 1 UNL1111111111 -0.1806 20 C 1.6751 -0.8132 1.3442 C.3 1 UNL1111111111 -0.4537 21 C 3.8717 -1.1936 -0.6949 C.3 1 UNL1111111111 -0.3155 22 C 3.7236 1.2074 0.0610 C.2 1 UNL1111111111 -0.2763 23 C 4.4278 0.1217 -0.2923 C.2 1 UNL1111111111 0.2565 24 C -6.3578 -0.8207 -0.1240 C.2 1 UNL1111111111 0.6268 25 C -7.1154 -1.7643 0.7483 C.3 1 UNL1111111111 -0.5125 26 C 6.6246 -0.6358 0.2221 C.2 1 UNL1111111111 0.6400 27 C 8.0366 -0.2126 0.0107 C.3 1 UNL1111111111 -0.5106 28 H -2.0205 1.3177 -1.3276 H 1 UNL1111111111 0.1408 29 H -0.5513 0.8177 1.3416 H 1 UNL1111111111 0.1451 30 H 0.1811 0.3112 -1.6196 H 1 UNL1111111111 0.1393 31 H -2.2093 -0.9935 -1.9470 H 1 UNL1111111111 0.1386 32 H -2.5865 -2.2518 -0.7699 H 1 UNL1111111111 0.1420 33 H -4.3986 0.0601 -1.4656 H 1 UNL1111111111 0.1391 34 H -0.5117 -1.8377 0.4830 H 1 UNL1111111111 0.1452 35 H -0.1179 -2.0888 -1.2193 H 1 UNL1111111111 0.1337 36 H -2.8279 3.1674 -0.0143 H 1 UNL1111111111 0.1367 37 H -2.8014 2.2542 1.4946 H 1 UNL1111111111 0.1410 38 H -5.0267 1.6426 1.0169 H 1 UNL1111111111 0.1514 39 H -4.9142 2.2286 -0.6407 H 1 UNL1111111111 0.1498 40 H -0.2867 3.1546 0.7793 H 1 UNL1111111111 0.1459 41 H -0.1956 2.8400 -0.9576 H 1 UNL1111111111 0.1508 42 H -1.7385 -0.8154 1.8672 H 1 UNL1111111111 0.1461 43 H -3.2736 0.0213 2.1290 H 1 UNL1111111111 0.1496 44 H -3.2693 -1.6551 1.5828 H 1 UNL1111111111 0.1514 45 H 2.3152 -0.5739 -2.0767 H 1 UNL1111111111 0.1448 46 H 1.9302 -2.0394 -1.1599 H 1 UNL1111111111 0.1437 47 H 2.0845 3.2965 0.1892 H 1 UNL1111111111 0.1452 48 H 2.6857 -0.7367 1.7660 H 1 UNL1111111111 0.1568 49 H 1.0005 -0.3090 2.0446 H 1 UNL1111111111 0.1486 50 H 1.4126 -1.8747 1.3204 H 1 UNL1111111111 0.1448 51 H 4.4450 -1.6309 -1.5368 H 1 UNL1111111111 0.1591 52 H 3.9835 -1.9238 0.1419 H 1 UNL1111111111 0.1861 53 H 4.2120 2.1338 0.3532 H 1 UNL1111111111 0.1696 54 H -7.1382 -1.4149 1.7920 H 1 UNL1111111111 0.1833 55 H -6.6522 -2.7630 0.7547 H 1 UNL1111111111 0.1838 56 H -8.1542 -1.8710 0.4000 H 1 UNL1111111111 0.1837 57 H 8.5276 -0.0131 0.9773 H 1 UNL1111111111 0.1883 58 H 8.1226 0.6992 -0.6023 H 1 UNL1111111111 0.1885 59 H 8.6095 -1.0104 -0.4888 H 1 UNL1111111111 0.1864 @BOND 1 1 11 1 2 1 24 1 3 2 23 1 4 2 26 1 5 3 24 2 6 4 26 2 7 5 6 1 8 5 7 1 9 5 13 1 10 5 28 1 11 6 9 1 12 6 11 1 13 6 16 1 14 7 8 1 15 7 15 1 16 7 29 1 17 8 10 1 18 8 12 1 19 8 30 1 20 9 12 1 21 9 31 1 22 9 32 1 23 10 17 1 24 10 18 1 25 10 20 1 26 11 14 1 27 11 33 1 28 12 34 1 29 12 35 1 30 13 14 1 31 13 36 1 32 13 37 1 33 14 38 1 34 14 39 1 35 15 19 1 36 15 40 1 37 15 41 1 38 16 42 1 39 16 43 1 40 16 44 1 41 17 19 2 42 17 22 1 43 18 21 1 44 18 45 1 45 18 46 1 46 19 47 1 47 20 48 1 48 20 49 1 49 20 50 1 50 21 23 1 51 21 51 1 52 21 52 1 53 22 23 2 54 22 53 1 55 24 25 1 56 25 54 1 57 25 55 1 58 25 56 1 59 26 27 1 60 27 57 1 61 27 58 1 62 27 59 1