@MOLECULE (17beta)-3-oxoandrost-4-en-17-yl formate 51 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.4733 -0.8126 0.2816 O.3 1 UNL1111111111 -0.4451 2 O 6.1476 -0.1044 -1.1092 O.2 1 UNL1111111111 -0.4672 3 O -6.1142 -0.2127 -1.1328 O.2 1 UNL1111111111 -0.4978 4 C -1.3387 0.8794 -0.2886 C.3 1 UNL1111111111 -0.1467 5 C -2.1214 -0.3957 0.1361 C.3 1 UNL1111111111 0.0451 6 C 0.0598 0.8809 0.3263 C.3 1 UNL1111111111 -0.1206 7 C 0.8225 -0.3544 -0.2195 C.3 1 UNL1111111111 -0.1275 8 C 2.2630 -0.4328 0.3720 C.3 1 UNL1111111111 0.0367 9 C -1.4100 -1.5987 -0.4849 C.3 1 UNL1111111111 -0.2937 10 C 0.0412 -1.6613 0.0225 C.3 1 UNL1111111111 -0.2770 11 C -3.5134 -0.0622 -0.4624 C.3 1 UNL1111111111 0.1134 12 C -2.2976 2.0313 0.0582 C.3 1 UNL1111111111 -0.2763 13 C 0.8199 2.1531 -0.0660 C.3 1 UNL1111111111 -0.2755 14 C -3.7017 1.4557 -0.2382 C.3 1 UNL1111111111 -0.3161 15 C 2.9723 0.8891 0.1605 C.2 1 UNL1111111111 0.1111 16 C 2.2240 2.1305 0.5420 C.3 1 UNL1111111111 -0.3032 17 C -2.2594 -0.5737 1.6511 C.3 1 UNL1111111111 -0.4447 18 C 3.0111 -1.5734 -0.3648 C.3 1 UNL1111111111 -0.2778 19 C 2.2619 -0.7121 1.8841 C.3 1 UNL1111111111 -0.4528 20 C 4.5197 -1.5309 -0.1388 C.3 1 UNL1111111111 -0.3823 21 C 4.2357 0.9793 -0.2820 C.2 1 UNL1111111111 -0.3763 22 C 5.0673 -0.1941 -0.5759 C.2 1 UNL1111111111 0.4939 23 C -5.7464 -0.8173 -0.1609 C.2 1 UNL1111111111 0.5009 24 H -1.2213 0.8664 -1.4031 H 1 UNL1111111111 0.1428 25 H -0.0147 0.8224 1.4349 H 1 UNL1111111111 0.1433 26 H 0.9252 -0.2184 -1.3254 H 1 UNL1111111111 0.1428 27 H -1.4242 -1.5345 -1.5884 H 1 UNL1111111111 0.1405 28 H -1.9390 -2.5352 -0.2294 H 1 UNL1111111111 0.1455 29 H 0.0407 -1.9068 1.1007 H 1 UNL1111111111 0.1430 30 H 0.5563 -2.5027 -0.4793 H 1 UNL1111111111 0.1376 31 H -3.6055 -0.3486 -1.5279 H 1 UNL1111111111 0.1360 32 H -2.0924 2.9317 -0.5395 H 1 UNL1111111111 0.1392 33 H -2.2021 2.3287 1.1143 H 1 UNL1111111111 0.1409 34 H 0.2706 3.0483 0.2801 H 1 UNL1111111111 0.1420 35 H 0.8822 2.2430 -1.1673 H 1 UNL1111111111 0.1470 36 H -4.3946 1.6413 0.5984 H 1 UNL1111111111 0.1528 37 H -4.1592 1.9281 -1.1222 H 1 UNL1111111111 0.1546 38 H 2.1598 2.1851 1.6508 H 1 UNL1111111111 0.1582 39 H 2.7757 3.0439 0.2378 H 1 UNL1111111111 0.1549 40 H -2.7994 0.2636 2.1073 H 1 UNL1111111111 0.1503 41 H -2.8239 -1.4857 1.8842 H 1 UNL1111111111 0.1546 42 H -1.2881 -0.6511 2.1489 H 1 UNL1111111111 0.1433 43 H 2.8048 -1.5102 -1.4524 H 1 UNL1111111111 0.1481 44 H 2.6158 -2.5539 -0.0383 H 1 UNL1111111111 0.1455 45 H 1.6177 -0.0105 2.4251 H 1 UNL1111111111 0.1486 46 H 1.9051 -1.7233 2.1067 H 1 UNL1111111111 0.1500 47 H 3.2708 -0.6231 2.3048 H 1 UNL1111111111 0.1525 48 H 5.0237 -2.3506 -0.6891 H 1 UNL1111111111 0.1710 49 H 4.7719 -1.6947 0.9280 H 1 UNL1111111111 0.1679 50 H 4.7319 1.9363 -0.4420 H 1 UNL1111111111 0.1787 51 H -6.3346 -1.4448 0.5084 H 1 UNL1111111111 0.1479 @BOND 1 1 11 1 2 1 23 1 3 2 22 2 4 3 23 2 5 4 5 1 6 4 6 1 7 4 12 1 8 4 24 1 9 5 9 1 10 5 11 1 11 5 17 1 12 6 7 1 13 6 13 1 14 6 25 1 15 7 8 1 16 7 10 1 17 7 26 1 18 8 15 1 19 8 18 1 20 8 19 1 21 9 10 1 22 9 27 1 23 9 28 1 24 10 29 1 25 10 30 1 26 11 14 1 27 11 31 1 28 12 14 1 29 12 32 1 30 12 33 1 31 13 16 1 32 13 34 1 33 13 35 1 34 14 36 1 35 14 37 1 36 15 16 1 37 15 21 2 38 16 38 1 39 16 39 1 40 17 40 1 41 17 41 1 42 17 42 1 43 18 20 1 44 18 43 1 45 18 44 1 46 19 45 1 47 19 46 1 48 19 47 1 49 20 22 1 50 20 48 1 51 20 49 1 52 21 22 1 53 21 50 1 54 23 51 1