@MOLECULE 17-oxo-5alpha-androstane 50 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.7109 -1.1375 -0.5979 O.2 1 UNL1111111111 -0.4558 2 C 0.4415 -0.4078 -0.3517 C.3 1 UNL1111111111 -0.1410 3 C -0.3450 0.8086 0.2134 C.3 1 UNL1111111111 -0.1129 4 C 1.9158 -0.3916 0.1538 C.3 1 UNL1111111111 0.0680 5 C -1.7616 0.7236 -0.3527 C.3 1 UNL1111111111 -0.1378 6 C -2.4671 -0.5618 0.1584 C.3 1 UNL1111111111 -0.0374 7 C 2.5418 0.9515 -0.3163 C.3 1 UNL1111111111 -0.1172 8 C -0.2672 -1.7409 -0.0297 C.3 1 UNL1111111111 -0.2774 9 C 0.3262 2.1259 -0.2009 C.3 1 UNL1111111111 -0.2845 10 C -1.7483 -1.7595 -0.4525 C.3 1 UNL1111111111 -0.2724 11 C 1.7851 2.1547 0.2646 C.3 1 UNL1111111111 -0.2868 12 C 2.7037 -1.5386 -0.5264 C.3 1 UNL1111111111 -0.2941 13 C -2.7696 1.8474 -0.0472 C.3 1 UNL1111111111 -0.2723 14 C 4.0358 1.0348 0.0327 C.3 1 UNL1111111111 -0.2802 15 C 1.9811 -0.5630 1.6767 C.3 1 UNL1111111111 -0.4592 16 C -3.8993 -0.3060 -0.3053 C.2 1 UNL1111111111 0.4658 17 C -4.1393 1.1951 -0.3351 C.3 1 UNL1111111111 -0.3884 18 C 4.2086 -1.4670 -0.2341 C.3 1 UNL1111111111 -0.2605 19 C 4.7951 -0.1118 -0.6453 C.3 1 UNL1111111111 -0.2658 20 C -2.5554 -0.6876 1.6841 C.3 1 UNL1111111111 -0.4476 21 H 0.4691 -0.3028 -1.4642 H 1 UNL1111111111 0.1350 22 H -0.3716 0.7530 1.3245 H 1 UNL1111111111 0.1427 23 H -1.6743 0.6559 -1.4692 H 1 UNL1111111111 0.1430 24 H 2.4504 0.9910 -1.4312 H 1 UNL1111111111 0.1349 25 H -0.1918 -1.9546 1.0526 H 1 UNL1111111111 0.1416 26 H 0.2584 -2.5697 -0.5388 H 1 UNL1111111111 0.1368 27 H -0.2260 2.9812 0.2299 H 1 UNL1111111111 0.1354 28 H 0.2768 2.2529 -1.2983 H 1 UNL1111111111 0.1384 29 H -1.8336 -1.7432 -1.5549 H 1 UNL1111111111 0.1430 30 H -2.2251 -2.7059 -0.1342 H 1 UNL1111111111 0.1502 31 H 2.2661 3.0969 -0.0565 H 1 UNL1111111111 0.1343 32 H 1.8393 2.1496 1.3680 H 1 UNL1111111111 0.1399 33 H 2.5380 -1.5033 -1.6190 H 1 UNL1111111111 0.1363 34 H 2.3142 -2.5159 -0.1876 H 1 UNL1111111111 0.1353 35 H -2.5969 2.7349 -0.6733 H 1 UNL1111111111 0.1404 36 H -2.6930 2.1837 0.9987 H 1 UNL1111111111 0.1425 37 H 4.1817 0.9995 1.1269 H 1 UNL1111111111 0.1381 38 H 4.4474 2.0065 -0.2960 H 1 UNL1111111111 0.1303 39 H 3.0064 -0.4515 2.0469 H 1 UNL1111111111 0.1484 40 H 1.3671 0.1794 2.1964 H 1 UNL1111111111 0.1444 41 H 1.6334 -1.5550 1.9828 H 1 UNL1111111111 0.1421 42 H -4.5414 1.4984 -1.3172 H 1 UNL1111111111 0.1690 43 H -4.9047 1.4821 0.4043 H 1 UNL1111111111 0.1676 44 H 4.7302 -2.2818 -0.7699 H 1 UNL1111111111 0.1288 45 H 4.3930 -1.6461 0.8415 H 1 UNL1111111111 0.1359 46 H 5.8674 -0.0661 -0.3813 H 1 UNL1111111111 0.1293 47 H 4.7459 0.0022 -1.7444 H 1 UNL1111111111 0.1349 48 H -1.5657 -0.8204 2.1367 H 1 UNL1111111111 0.1571 49 H -3.0045 0.1987 2.1452 H 1 UNL1111111111 0.1467 50 H -3.1615 -1.5581 1.9668 H 1 UNL1111111111 0.1553 @BOND 1 1 16 2 2 2 3 1 3 2 4 1 4 2 8 1 5 2 21 1 6 3 5 1 7 3 9 1 8 3 22 1 9 4 7 1 10 4 12 1 11 4 15 1 12 5 6 1 13 5 13 1 14 5 23 1 15 6 10 1 16 6 16 1 17 6 20 1 18 7 11 1 19 7 14 1 20 7 24 1 21 8 10 1 22 8 25 1 23 8 26 1 24 9 11 1 25 9 27 1 26 9 28 1 27 10 29 1 28 10 30 1 29 11 31 1 30 11 32 1 31 12 18 1 32 12 33 1 33 12 34 1 34 13 17 1 35 13 35 1 36 13 36 1 37 14 19 1 38 14 37 1 39 14 38 1 40 15 39 1 41 15 40 1 42 15 41 1 43 16 17 1 44 17 42 1 45 17 43 1 46 18 19 1 47 18 44 1 48 18 45 1 49 19 46 1 50 19 47 1 51 20 48 1 52 20 49 1 53 20 50 1