@MOLECULE (3beta,5alpha)-3,17-dihydroxy-4,4,8,10,14-pentamethylgona-11,13(17)-diene-15,16-dione 56 59 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.7975 0.2926 -0.2542 O.3 1 UNL1111111111 -0.5643 2 O 3.0517 -2.4945 -0.0428 O.2 1 UNL1111111111 -0.3475 3 O 4.9562 1.8149 0.4468 O.2 1 UNL1111111111 -0.3928 4 O 5.5587 -0.9890 0.2866 O.2 1 UNL1111111111 -0.2996 5 C -1.5968 0.7602 0.1704 C.3 1 UNL1111111111 0.0813 6 C -2.1940 -0.6250 -0.2162 C.3 1 UNL1111111111 -0.1525 7 C 0.7579 -0.4086 0.1492 C.3 1 UNL1111111111 0.1071 8 C -0.1267 0.7718 -0.3637 C.3 1 UNL1111111111 -0.1744 9 C -3.7162 -0.7837 0.0445 C.3 1 UNL1111111111 0.0758 10 C -1.3720 -1.7613 0.4081 C.3 1 UNL1111111111 -0.2717 11 C 0.0564 -1.7432 -0.1474 C.3 1 UNL1111111111 -0.3020 12 C 2.1142 -0.3000 -0.6171 C.3 1 UNL1111111111 -0.0555 13 C -2.3956 1.8416 -0.6076 C.3 1 UNL1111111111 -0.2983 14 C -4.4442 0.3856 -0.6760 C.3 1 UNL1111111111 0.1323 15 C -3.8938 1.7684 -0.3133 C.3 1 UNL1111111111 -0.3305 16 C -1.6367 1.0931 1.6630 C.3 1 UNL1111111111 -0.4578 17 C 0.5672 2.0886 -0.1870 C.2 1 UNL1111111111 -0.0998 18 C 1.0744 -0.3289 1.6510 C.3 1 UNL1111111111 -0.4703 19 C 2.7454 1.0408 -0.2645 C.2 1 UNL1111111111 -0.1092 20 C -4.2098 -2.0869 -0.6207 C.3 1 UNL1111111111 -0.4669 21 C -4.1064 -0.8309 1.5218 C.3 1 UNL1111111111 -0.4480 22 C 2.0128 -0.4493 -2.1356 C.3 1 UNL1111111111 -0.4474 23 C 3.1718 -1.3154 -0.1645 C.2 1 UNL1111111111 0.3445 24 C 1.9063 2.2094 -0.2051 C.2 1 UNL1111111111 -0.2028 25 C 4.0445 0.9010 0.0825 C.2 1 UNL1111111111 0.0669 26 C 4.4758 -0.5245 0.1091 C.2 1 UNL1111111111 0.3235 27 H -2.0733 -0.7111 -1.3312 H 1 UNL1111111111 0.1345 28 H -0.2192 0.6234 -1.4806 H 1 UNL1111111111 0.1561 29 H -1.8371 -2.7408 0.1869 H 1 UNL1111111111 0.1425 30 H -1.3659 -1.6821 1.5101 H 1 UNL1111111111 0.1433 31 H 0.6428 -2.5797 0.2841 H 1 UNL1111111111 0.1622 32 H 0.0297 -1.9361 -1.2358 H 1 UNL1111111111 0.1405 33 H -2.2226 1.7293 -1.6939 H 1 UNL1111111111 0.1360 34 H -2.0217 2.8484 -0.3436 H 1 UNL1111111111 0.1399 35 H -4.4242 0.2323 -1.7785 H 1 UNL1111111111 0.1098 36 H -4.0988 1.9792 0.7548 H 1 UNL1111111111 0.1580 37 H -4.4306 2.5533 -0.8763 H 1 UNL1111111111 0.1351 38 H -0.8147 1.7590 1.9492 H 1 UNL1111111111 0.1475 39 H -2.5664 1.5979 1.9503 H 1 UNL1111111111 0.1478 40 H -1.5643 0.1935 2.2850 H 1 UNL1111111111 0.1537 41 H -0.0747 2.9613 -0.0824 H 1 UNL1111111111 0.1458 42 H 1.4039 0.6727 1.9473 H 1 UNL1111111111 0.1545 43 H 0.2004 -0.5766 2.2630 H 1 UNL1111111111 0.1579 44 H 1.8566 -1.0404 1.9397 H 1 UNL1111111111 0.1498 45 H -3.8823 -2.9719 -0.0667 H 1 UNL1111111111 0.1461 46 H -5.3084 -2.1094 -0.6416 H 1 UNL1111111111 0.1629 47 H -3.8578 -2.1842 -1.6507 H 1 UNL1111111111 0.1380 48 H -3.9707 0.1343 2.0170 H 1 UNL1111111111 0.1465 49 H -5.1731 -1.0795 1.6279 H 1 UNL1111111111 0.1623 50 H -3.5317 -1.5820 2.0702 H 1 UNL1111111111 0.1395 51 H 1.3746 0.3261 -2.5776 H 1 UNL1111111111 0.1590 52 H 2.9953 -0.3519 -2.6170 H 1 UNL1111111111 0.1569 53 H 1.6032 -1.4270 -2.4208 H 1 UNL1111111111 0.1615 54 H 2.3940 3.1788 -0.1339 H 1 UNL1111111111 0.1469 55 H -6.3315 1.0038 -0.6515 H 1 UNL1111111111 0.3081 56 H 4.5660 2.7305 0.4374 H 1 UNL1111111111 0.3175 @BOND 1 1 14 1 2 1 55 1 3 2 23 2 4 3 25 1 5 3 56 1 6 4 26 2 7 5 6 1 8 5 8 1 9 5 13 1 10 5 16 1 11 6 9 1 12 6 10 1 13 6 27 1 14 7 8 1 15 7 11 1 16 7 12 1 17 7 18 1 18 8 17 1 19 8 28 1 20 9 14 1 21 9 20 1 22 9 21 1 23 10 11 1 24 10 29 1 25 10 30 1 26 11 31 1 27 11 32 1 28 12 19 1 29 12 22 1 30 12 23 1 31 13 15 1 32 13 33 1 33 13 34 1 34 14 15 1 35 14 35 1 36 15 36 1 37 15 37 1 38 16 38 1 39 16 39 1 40 16 40 1 41 17 24 2 42 17 41 1 43 18 42 1 44 18 43 1 45 18 44 1 46 19 24 1 47 19 25 2 48 20 45 1 49 20 46 1 50 20 47 1 51 21 48 1 52 21 49 1 53 21 50 1 54 22 51 1 55 22 52 1 56 22 53 1 57 23 26 1 58 24 54 1 59 25 26 1