@MOLECULE 5alpha-androstan-3-one 50 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.3410 -0.1526 -0.3583 O.2 1 UNL1111111111 -0.4798 2 C 0.9270 0.7136 -0.1525 C.3 1 UNL1111111111 -0.1216 3 C 0.0678 -0.4610 0.3857 C.3 1 UNL1111111111 -0.1360 4 C 2.3349 0.5421 0.4173 C.3 1 UNL1111111111 -0.1441 5 C -1.4066 -0.3620 -0.1068 C.3 1 UNL1111111111 0.0659 6 C 2.9860 -0.7735 -0.0920 C.3 1 UNL1111111111 0.0841 7 C -1.9644 1.0220 0.3257 C.3 1 UNL1111111111 -0.1031 8 C 0.7031 -1.8219 0.0288 C.3 1 UNL1111111111 -0.2788 9 C 2.1701 -1.9372 0.4827 C.3 1 UNL1111111111 -0.2996 10 C 0.3297 2.0553 0.2927 C.3 1 UNL1111111111 -0.2850 11 C 3.3935 1.6108 0.1077 C.3 1 UNL1111111111 -0.2786 12 C 4.4255 -0.6310 0.4589 C.3 1 UNL1111111111 -0.2992 13 C -1.1107 2.1838 -0.2053 C.3 1 UNL1111111111 -0.2785 14 C -2.2375 -1.4808 0.5854 C.3 1 UNL1111111111 -0.2849 15 C 4.7382 0.8833 0.3603 C.3 1 UNL1111111111 -0.2605 16 C -1.5033 -0.5409 -1.6278 C.3 1 UNL1111111111 -0.4625 17 C 3.0622 -0.8838 -1.6213 C.3 1 UNL1111111111 -0.4590 18 C -3.4132 1.2059 -0.1441 C.3 1 UNL1111111111 -0.4025 19 C -3.6432 -1.0603 1.0291 C.3 1 UNL1111111111 -0.3817 20 C -4.2403 -0.0226 0.1173 C.2 1 UNL1111111111 0.4994 21 H 0.9554 0.6794 -1.2647 H 1 UNL1111111111 0.1433 22 H 0.0530 -0.3761 1.5008 H 1 UNL1111111111 0.1342 23 H 2.2456 0.4767 1.5323 H 1 UNL1111111111 0.1371 24 H -1.9420 1.0574 1.4434 H 1 UNL1111111111 0.1371 25 H 0.6468 -1.9883 -1.0635 H 1 UNL1111111111 0.1433 26 H 0.1197 -2.6408 0.4878 H 1 UNL1111111111 0.1335 27 H 2.2265 -1.9385 1.5860 H 1 UNL1111111111 0.1366 28 H 2.5898 -2.9050 0.1562 H 1 UNL1111111111 0.1383 29 H 0.9437 2.8879 -0.0978 H 1 UNL1111111111 0.1375 30 H 0.3652 2.1444 1.3939 H 1 UNL1111111111 0.1378 31 H 3.2834 2.4980 0.7466 H 1 UNL1111111111 0.1312 32 H 3.3179 1.9610 -0.9332 H 1 UNL1111111111 0.1368 33 H 5.1472 -1.2347 -0.1072 H 1 UNL1111111111 0.1363 34 H 4.4842 -0.9749 1.5027 H 1 UNL1111111111 0.1338 35 H -1.5401 3.1484 0.1238 H 1 UNL1111111111 0.1350 36 H -1.1297 2.2065 -1.3108 H 1 UNL1111111111 0.1417 37 H -1.6951 -1.8581 1.4742 H 1 UNL1111111111 0.1427 38 H -2.3146 -2.3491 -0.0975 H 1 UNL1111111111 0.1473 39 H 5.4498 1.0850 -0.4551 H 1 UNL1111111111 0.1315 40 H 5.2111 1.2428 1.2864 H 1 UNL1111111111 0.1304 41 H -0.9742 0.2548 -2.1627 H 1 UNL1111111111 0.1489 42 H -1.0715 -1.4935 -1.9533 H 1 UNL1111111111 0.1450 43 H -2.5456 -0.5308 -1.9674 H 1 UNL1111111111 0.1515 44 H 3.6477 -0.0633 -2.0502 H 1 UNL1111111111 0.1475 45 H 3.5374 -1.8235 -1.9213 H 1 UNL1111111111 0.1418 46 H 2.0719 -0.8533 -2.0868 H 1 UNL1111111111 0.1464 47 H -3.4529 1.4528 -1.2258 H 1 UNL1111111111 0.1772 48 H -3.8806 2.0768 0.3586 H 1 UNL1111111111 0.1696 49 H -3.6191 -0.6522 2.0605 H 1 UNL1111111111 0.1632 50 H -4.3063 -1.9492 1.0791 H 1 UNL1111111111 0.1695 @BOND 1 1 20 2 2 2 3 1 3 2 4 1 4 2 10 1 5 2 21 1 6 3 5 1 7 3 8 1 8 3 22 1 9 4 6 1 10 4 11 1 11 4 23 1 12 5 7 1 13 5 14 1 14 5 16 1 15 6 9 1 16 6 12 1 17 6 17 1 18 7 13 1 19 7 18 1 20 7 24 1 21 8 9 1 22 8 25 1 23 8 26 1 24 9 27 1 25 9 28 1 26 10 13 1 27 10 29 1 28 10 30 1 29 11 15 1 30 11 31 1 31 11 32 1 32 12 15 1 33 12 33 1 34 12 34 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 16 41 1 43 16 42 1 44 16 43 1 45 17 44 1 46 17 45 1 47 17 46 1 48 18 20 1 49 18 47 1 50 18 48 1 51 19 20 1 52 19 49 1 53 19 50 1