@MOLECULE (5alpha,17beta)-3-oxoandrostan-17-yl heptanoate 71 74 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.4969 -0.3731 0.0644 O.3 1 UNL1111 -0.4516 2 O -8.1879 1.1294 -0.7284 O.2 1 UNL1111 -0.4727 3 O 3.8508 -1.0065 -1.6163 O.2 1 UNL1111 -0.5116 4 C -2.2866 -1.0216 0.3686 C.3 1 UNL1111 -0.1167 5 C -2.7958 0.2534 -0.3587 C.3 1 UNL1111 -0.1353 6 C -0.9410 -1.3924 -0.2544 C.3 1 UNL1111 -0.1473 7 C 0.1059 -0.2665 -0.0158 C.3 1 UNL1111 0.0452 8 C -4.1873 0.6871 0.1919 C.3 1 UNL1111 0.0616 9 C -5.1572 -0.5113 -0.0064 C.3 1 UNL1111 -0.1039 10 C -1.7591 1.3925 -0.2736 C.3 1 UNL1111 -0.2779 11 C -0.3673 0.9719 -0.7796 C.3 1 UNL1111 -0.2929 12 C -3.2893 -2.1732 0.2058 C.3 1 UNL1111 -0.2838 13 C 1.3724 -0.9566 -0.5912 C.3 1 UNL1111 0.1128 14 C -0.2246 -2.6643 0.2277 C.3 1 UNL1111 -0.2751 15 C -4.6665 -1.7636 0.7339 C.3 1 UNL1111 -0.2808 16 C 1.2470 -2.4464 -0.1941 C.3 1 UNL1111 -0.3148 17 C -4.7258 1.8584 -0.6671 C.3 1 UNL1111 -0.2840 18 C 0.3446 0.0678 1.4595 C.3 1 UNL1111 -0.4432 19 C -4.0955 1.1232 1.6581 C.3 1 UNL1111 -0.4573 20 C -6.5865 -0.1713 0.4350 C.3 1 UNL1111 -0.4003 21 C -6.1531 2.2607 -0.2928 C.3 1 UNL1111 -0.3794 22 C -7.0802 1.0731 -0.2549 C.2 1 UNL1111 0.4921 23 C 3.7012 -0.4603 -0.5547 C.2 1 UNL1111 0.6094 24 C 4.7327 0.2277 0.2887 C.3 1 UNL1111 -0.3486 25 C 6.1277 0.0141 -0.3046 C.3 1 UNL1111 -0.2539 26 C 7.1804 0.7800 0.5038 C.3 1 UNL1111 -0.2735 27 C 8.5752 0.5779 -0.1022 C.3 1 UNL1111 -0.2697 28 C 9.6334 1.3489 0.6983 C.3 1 UNL1111 -0.2540 29 C 11.0177 1.1817 0.0714 C.3 1 UNL1111 -0.4397 30 H -2.1583 -0.8072 1.4533 H 1 UNL1111 0.1416 31 H -2.9263 -0.0044 -1.4389 H 1 UNL1111 0.1372 32 H -1.0985 -1.4975 -1.3595 H 1 UNL1111 0.1413 33 H -5.1824 -0.7451 -1.1022 H 1 UNL1111 0.1412 34 H -1.6758 1.7502 0.7695 H 1 UNL1111 0.1417 35 H -2.1063 2.2608 -0.8637 H 1 UNL1111 0.1345 36 H 0.3486 1.8037 -0.6505 H 1 UNL1111 0.1436 37 H -0.4037 0.7703 -1.8659 H 1 UNL1111 0.1397 38 H -2.9254 -3.0656 0.7479 H 1 UNL1111 0.1376 39 H -3.3611 -2.4722 -0.8565 H 1 UNL1111 0.1406 40 H 1.4755 -0.8168 -1.6852 H 1 UNL1111 0.1403 41 H -0.3142 -2.7858 1.3186 H 1 UNL1111 0.1402 42 H -0.6492 -3.5724 -0.2239 H 1 UNL1111 0.1370 43 H -4.6221 -1.5798 1.8227 H 1 UNL1111 0.1405 44 H -5.3862 -2.5923 0.5964 H 1 UNL1111 0.1379 45 H 1.5300 -3.1001 -1.0336 H 1 UNL1111 0.1495 46 H 1.9386 -2.6848 0.6300 H 1 UNL1111 0.1527 47 H -4.0630 2.7384 -0.5616 H 1 UNL1111 0.1443 48 H -4.6867 1.5808 -1.7387 H 1 UNL1111 0.1437 49 H 1.0859 0.8707 1.5600 H 1 UNL1111 0.1529 50 H -0.5697 0.3963 1.9624 H 1 UNL1111 0.1420 51 H 0.7330 -0.7975 2.0089 H 1 UNL1111 0.1506 52 H -3.5002 2.0363 1.7672 H 1 UNL1111 0.1446 53 H -5.0826 1.3290 2.0842 H 1 UNL1111 0.1446 54 H -3.6284 0.3520 2.2807 H 1 UNL1111 0.1485 55 H -7.2674 -1.0208 0.2175 H 1 UNL1111 0.1713 56 H -6.6405 -0.0290 1.5325 H 1 UNL1111 0.1685 57 H -6.1719 2.7621 0.6966 H 1 UNL1111 0.1668 58 H -6.5370 3.0163 -1.0101 H 1 UNL1111 0.1700 59 H 4.4928 1.3109 0.3557 H 1 UNL1111 0.1762 60 H 4.6844 -0.1474 1.3326 H 1 UNL1111 0.1757 61 H 6.3699 -1.0668 -0.3300 H 1 UNL1111 0.1505 62 H 6.1435 0.3382 -1.3652 H 1 UNL1111 0.1555 63 H 7.1740 0.4422 1.5571 H 1 UNL1111 0.1366 64 H 6.9336 1.8581 0.5276 H 1 UNL1111 0.1366 65 H 8.5834 0.9117 -1.1570 H 1 UNL1111 0.1396 66 H 8.8291 -0.4985 -0.1249 H 1 UNL1111 0.1387 67 H 9.6477 0.9959 1.7467 H 1 UNL1111 0.1328 68 H 9.3676 2.4219 0.7439 H 1 UNL1111 0.1330 69 H 11.0399 1.5593 -0.9571 H 1 UNL1111 0.1435 70 H 11.7799 1.7272 0.6386 H 1 UNL1111 0.1404 71 H 11.3198 0.1289 0.0423 H 1 UNL1111 0.1433 @BOND 1 1 13 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 30 1 9 5 8 1 10 5 10 1 11 5 31 1 12 6 7 1 13 6 14 1 14 6 32 1 15 7 11 1 16 7 13 1 17 7 18 1 18 8 9 1 19 8 17 1 20 8 19 1 21 9 15 1 22 9 20 1 23 9 33 1 24 10 11 1 25 10 34 1 26 10 35 1 27 11 36 1 28 11 37 1 29 12 15 1 30 12 38 1 31 12 39 1 32 13 16 1 33 13 40 1 34 14 16 1 35 14 41 1 36 14 42 1 37 15 43 1 38 15 44 1 39 16 45 1 40 16 46 1 41 17 21 1 42 17 47 1 43 17 48 1 44 18 49 1 45 18 50 1 46 18 51 1 47 19 52 1 48 19 53 1 49 19 54 1 50 20 22 1 51 20 55 1 52 20 56 1 53 21 22 1 54 21 57 1 55 21 58 1 56 23 24 1 57 24 25 1 58 24 59 1 59 24 60 1 60 25 26 1 61 25 61 1 62 25 62 1 63 26 27 1 64 26 63 1 65 26 64 1 66 27 28 1 67 27 65 1 68 27 66 1 69 28 29 1 70 28 67 1 71 28 68 1 72 29 69 1 73 29 70 1 74 29 71 1