@MOLECULE (5alpha,17beta)-3-oxoandrostan-17-yl propionate 59 62 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.9623 -0.4915 0.1120 O.3 1 UNL1111111111 -0.4462 2 O 6.8536 -0.3523 -0.6160 O.2 1 UNL1111111111 -0.4744 3 O -5.5095 0.0669 -1.4197 O.2 1 UNL1111111111 -0.5132 4 C 0.6501 0.9410 0.2338 C.3 1 UNL1111111111 -0.1172 5 C 1.3561 -0.2943 -0.3892 C.3 1 UNL1111111111 -0.1353 6 C -0.7409 1.0389 -0.3908 C.3 1 UNL1111111111 -0.1465 7 C -1.5904 -0.2143 -0.0324 C.3 1 UNL1111111111 0.0468 8 C 2.7954 -0.4557 0.1884 C.3 1 UNL1111111111 0.0620 9 C 3.5675 0.8599 -0.1101 C.3 1 UNL1111111111 -0.1042 10 C 0.5133 -1.5733 -0.2064 C.3 1 UNL1111111111 -0.2782 11 C -0.9346 -1.4202 -0.7080 C.3 1 UNL1111111111 -0.2925 12 C 1.4581 2.2169 -0.0430 C.3 1 UNL1111111111 -0.2839 13 C -2.9615 0.2151 -0.6202 C.3 1 UNL1111111111 0.1111 14 C -1.6442 2.2194 0.0010 C.3 1 UNL1111111111 -0.2746 15 C 2.8754 2.0782 0.5191 C.3 1 UNL1111111111 -0.2809 16 C -3.0690 1.7342 -0.3504 C.3 1 UNL1111111111 -0.3154 17 C 3.5207 -1.5919 -0.5745 C.3 1 UNL1111111111 -0.2844 18 C -1.7479 -0.4588 1.4714 C.3 1 UNL1111111111 -0.4438 19 C 2.7610 -0.7798 1.6857 C.3 1 UNL1111111111 -0.4575 20 C 5.0250 0.7881 0.3614 C.3 1 UNL1111111111 -0.3999 21 C 4.9877 -1.7369 -0.1678 C.3 1 UNL1111111111 -0.3790 22 C 5.7243 -0.4226 -0.1980 C.2 1 UNL1111111111 0.4923 23 C -5.2204 -0.4874 -0.3914 C.2 1 UNL1111111111 0.6095 24 C -6.1241 -1.2685 0.5191 C.3 1 UNL1111111111 -0.3263 25 C -7.3060 -0.3934 0.9234 C.3 1 UNL1111111111 -0.4220 26 H 0.5618 0.8047 1.3348 H 1 UNL1111111111 0.1420 27 H 1.4528 -0.1081 -1.4872 H 1 UNL1111111111 0.1369 28 H -0.6128 1.0711 -1.5037 H 1 UNL1111111111 0.1411 29 H 3.5723 1.0023 -1.2211 H 1 UNL1111111111 0.1408 30 H 0.4992 -1.8665 0.8598 H 1 UNL1111111111 0.1419 31 H 0.9896 -2.4133 -0.7458 H 1 UNL1111111111 0.1342 32 H -0.9449 -1.3053 -1.8073 H 1 UNL1111111111 0.1392 33 H -1.5067 -2.3417 -0.4945 H 1 UNL1111111111 0.1440 34 H 0.9523 3.0884 0.4122 H 1 UNL1111111111 0.1378 35 H 1.4947 2.4219 -1.1291 H 1 UNL1111111111 0.1405 36 H -3.0669 -0.0344 -1.6936 H 1 UNL1111111111 0.1375 37 H -1.3799 3.1375 -0.5436 H 1 UNL1111111111 0.1372 38 H -1.5544 2.4543 1.0735 H 1 UNL1111111111 0.1402 39 H 3.4564 2.9961 0.3110 H 1 UNL1111111111 0.1378 40 H 2.8449 1.9831 1.6197 H 1 UNL1111111111 0.1405 41 H -3.7735 1.9301 0.4740 H 1 UNL1111111111 0.1517 42 H -3.4738 2.2593 -1.2300 H 1 UNL1111111111 0.1520 43 H 3.4531 -1.4080 -1.6644 H 1 UNL1111111111 0.1434 44 H 3.0016 -2.5537 -0.4006 H 1 UNL1111111111 0.1442 45 H -2.3544 -1.3544 1.6567 H 1 UNL1111111111 0.1527 46 H -0.7849 -0.6028 1.9703 H 1 UNL1111111111 0.1429 47 H -2.2548 0.3794 1.9629 H 1 UNL1111111111 0.1504 48 H 2.3151 -1.7630 1.8726 H 1 UNL1111111111 0.1447 49 H 3.7645 -0.7926 2.1228 H 1 UNL1111111111 0.1448 50 H 2.1741 -0.0425 2.2447 H 1 UNL1111111111 0.1485 51 H 5.0840 0.7636 1.4679 H 1 UNL1111111111 0.1691 52 H 5.5690 1.7086 0.0620 H 1 UNL1111111111 0.1716 53 H 5.4963 -2.4678 -0.8314 H 1 UNL1111111111 0.1702 54 H 5.0689 -2.1656 0.8526 H 1 UNL1111111111 0.1674 55 H -6.4725 -2.1781 -0.0158 H 1 UNL1111111111 0.1726 56 H -5.5763 -1.6307 1.4147 H 1 UNL1111111111 0.1725 57 H -7.8251 0.0100 0.0413 H 1 UNL1111111111 0.1638 58 H -8.0402 -0.9610 1.5071 H 1 UNL1111111111 0.1493 59 H -6.9886 0.4614 1.5336 H 1 UNL1111111111 0.1504 @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 26 1 9 5 8 1 10 5 10 1 11 5 27 1 12 6 7 1 13 6 14 1 14 6 28 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 29 1 24 10 11 1 25 10 30 1 26 10 31 1 27 11 32 1 28 11 33 1 29 12 15 1 30 12 34 1 31 12 35 1 32 13 16 1 33 13 36 1 34 14 16 1 35 14 37 1 36 14 38 1 37 15 39 1 38 15 40 1 39 16 41 1 40 16 42 1 41 17 21 1 42 17 43 1 43 17 44 1 44 18 45 1 45 18 46 1 46 18 47 1 47 19 48 1 48 19 49 1 49 19 50 1 50 20 22 1 51 20 51 1 52 20 52 1 53 21 22 1 54 21 53 1 55 21 54 1 56 23 24 1 57 24 25 1 58 24 55 1 59 24 56 1 60 25 57 1 61 25 58 1 62 25 59 1