@MOLECULE 6beta-hydroxycorticosterone 56 59 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.0646 -1.8736 1.2612 O.3 1 UNL1111111111 -0.5741 2 O 2.5107 2.3431 1.6210 O.3 1 UNL1111111111 -0.5405 3 O -4.4637 -1.6677 -0.0930 O.2 1 UNL1111111111 -0.4686 4 O 6.2924 -0.5716 -1.1555 O.2 1 UNL1111111111 -0.4596 5 O -6.9201 -0.6572 0.0531 O.3 1 UNL1111111111 -0.5210 6 C -1.0994 1.0551 -0.6050 C.3 1 UNL1111111111 -0.1495 7 C -2.0171 -0.1051 -0.1321 C.3 1 UNL1111111111 0.1138 8 C 0.2685 0.9753 0.0758 C.3 1 UNL1111111111 -0.1126 9 C 0.9378 -0.3457 -0.3735 C.3 1 UNL1111111111 -0.1730 10 C 2.3626 -0.5123 0.2332 C.3 1 UNL1111111111 0.0648 11 C -1.4053 -1.4150 -0.6282 C.3 1 UNL1111111111 -0.3779 12 C -3.3535 0.2916 -0.8308 C.3 1 UNL1111111111 -0.2579 13 C 0.0404 -1.5849 -0.1232 C.3 1 UNL1111111111 0.1619 14 C -1.9633 2.3055 -0.3871 C.3 1 UNL1111111111 -0.2729 15 C 1.1288 2.1682 -0.3540 C.3 1 UNL1111111111 -0.3511 16 C -3.4127 1.8301 -0.6684 C.3 1 UNL1111111111 -0.2645 17 C 3.1788 0.7348 -0.0276 C.2 1 UNL1111111111 0.0124 18 C 2.5377 2.0798 0.2370 C.3 1 UNL1111111111 0.1395 19 C -2.2337 -0.1329 1.3844 C.3 1 UNL1111111111 -0.4767 20 C 3.0214 -1.7325 -0.4661 C.3 1 UNL1111111111 -0.2792 21 C 2.3495 -0.7436 1.7523 C.3 1 UNL1111111111 -0.4437 22 C -4.5291 -0.4783 -0.3027 C.2 1 UNL1111111111 0.4305 23 C 4.5195 -1.8195 -0.1878 C.3 1 UNL1111111111 -0.3790 24 C 4.4558 0.7013 -0.4297 C.2 1 UNL1111111111 -0.3209 25 C 5.1954 -0.5546 -0.6508 C.2 1 UNL1111111111 0.4860 26 C -5.8427 0.2409 -0.0660 C.3 1 UNL1111111111 -0.1109 27 H -0.9344 0.9497 -1.7087 H 1 UNL1111111111 0.1390 28 H 0.1470 0.9791 1.1829 H 1 UNL1111111111 0.1501 29 H 1.0672 -0.2811 -1.4869 H 1 UNL1111111111 0.1446 30 H -1.4172 -1.4574 -1.7331 H 1 UNL1111111111 0.1521 31 H -2.0292 -2.2740 -0.3047 H 1 UNL1111111111 0.1723 32 H -3.2769 0.0445 -1.9215 H 1 UNL1111111111 0.1708 33 H 0.4962 -2.4816 -0.6126 H 1 UNL1111111111 0.1198 34 H -1.6700 3.1291 -1.0547 H 1 UNL1111111111 0.1373 35 H -1.8619 2.6888 0.6409 H 1 UNL1111111111 0.1449 36 H 0.6565 3.1134 -0.0189 H 1 UNL1111111111 0.1601 37 H 1.1873 2.2307 -1.4565 H 1 UNL1111111111 0.1518 38 H -4.0726 2.1322 0.1598 H 1 UNL1111111111 0.1390 39 H -3.8141 2.3050 -1.5773 H 1 UNL1111111111 0.1389 40 H 3.1737 2.9236 -0.1336 H 1 UNL1111111111 0.1524 41 H -1.2818 -0.1773 1.9319 H 1 UNL1111111111 0.1697 42 H -2.7551 0.7617 1.7398 H 1 UNL1111111111 0.1482 43 H -2.8247 -1.0057 1.6869 H 1 UNL1111111111 0.1556 44 H 2.8538 -1.6757 -1.5592 H 1 UNL1111111111 0.1413 45 H 2.5266 -2.6641 -0.1271 H 1 UNL1111111111 0.1541 46 H 3.3027 -0.4645 2.2153 H 1 UNL1111111111 0.1489 47 H 1.5442 -0.1886 2.2473 H 1 UNL1111111111 0.1474 48 H 2.1638 -1.8013 1.9930 H 1 UNL1111111111 0.1739 49 H 4.9646 -2.7032 -0.6874 H 1 UNL1111111111 0.1703 50 H 4.7171 -1.9629 0.8945 H 1 UNL1111111111 0.1742 51 H -0.7739 -2.2843 1.5497 H 1 UNL1111111111 0.3225 52 H 5.0439 1.6034 -0.6041 H 1 UNL1111111111 0.1787 53 H 2.0000 1.6559 2.1003 H 1 UNL1111111111 0.3181 54 H -6.1241 0.8984 -0.9114 H 1 UNL1111111111 0.1610 55 H -5.8070 0.8370 0.8688 H 1 UNL1111111111 0.1519 56 H -6.5904 -1.5566 0.2987 H 1 UNL1111111111 0.3358 @BOND 1 1 13 1 2 1 51 1 3 2 18 1 4 2 53 1 5 3 22 2 6 4 25 2 7 5 26 1 8 5 56 1 9 6 7 1 10 6 8 1 11 6 14 1 12 6 27 1 13 7 11 1 14 7 12 1 15 7 19 1 16 8 9 1 17 8 15 1 18 8 28 1 19 9 10 1 20 9 13 1 21 9 29 1 22 10 17 1 23 10 20 1 24 10 21 1 25 11 13 1 26 11 30 1 27 11 31 1 28 12 16 1 29 12 22 1 30 12 32 1 31 13 33 1 32 14 16 1 33 14 34 1 34 14 35 1 35 15 18 1 36 15 36 1 37 15 37 1 38 16 38 1 39 16 39 1 40 17 18 1 41 17 24 2 42 18 40 1 43 19 41 1 44 19 42 1 45 19 43 1 46 20 23 1 47 20 44 1 48 20 45 1 49 21 46 1 50 21 47 1 51 21 48 1 52 22 26 1 53 23 25 1 54 23 49 1 55 23 50 1 56 24 25 1 57 24 52 1 58 26 54 1 59 26 55 1