@MOLECULE methyl (5xi,10xi,13xi,14xi)-14-hydroxy-1,7,17-trioxoandrost-8-en-19-oate 50 53 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.4895 0.6233 1.7340 O.3 1 UNL1111111111 -0.5601 2 O 4.7558 -1.8155 0.0233 O.2 1 UNL1111111111 -0.4564 3 O 1.0889 3.1287 -0.4482 O.2 1 UNL1111111111 -0.4612 4 O -2.0778 -1.4069 2.1134 O.2 1 UNL1111111111 -0.4321 5 O -2.8022 -1.6820 -0.7699 O.3 1 UNL1111111111 -0.4049 6 O -1.4238 -0.5095 -2.1003 O.2 1 UNL1111111111 -0.4877 7 C 2.5264 -0.8570 -0.1135 C.3 1 UNL1111111111 -0.0663 8 C 2.2172 0.6048 0.3377 C.3 1 UNL1111111111 0.3124 9 C -1.5951 0.0574 0.2681 C.3 1 UNL1111111111 -0.2035 10 C -0.1029 -0.1049 0.4924 C.2 1 UNL1111111111 0.1408 11 C 0.7585 0.8764 0.1529 C.2 1 UNL1111111111 -0.2751 12 C -1.9949 1.5456 0.0943 C.3 1 UNL1111111111 -0.0710 13 C 1.8325 -1.7962 0.8579 C.3 1 UNL1111111111 -0.2456 14 C 3.2913 1.4608 -0.3584 C.3 1 UNL1111111111 -0.3096 15 C 0.3434 -1.4229 1.0452 C.3 1 UNL1111111111 -0.2959 16 C 4.0521 -0.8543 -0.1052 C.2 1 UNL1111111111 0.4870 17 C 4.5451 0.5662 -0.3236 C.3 1 UNL1111111111 -0.3758 18 C -1.0715 2.2605 -0.8907 C.3 1 UNL1111111111 -0.4111 19 C 0.3483 2.1768 -0.3923 C.2 1 UNL1111111111 0.4959 20 C -3.4589 1.6878 -0.3514 C.3 1 UNL1111111111 -0.2923 21 C 2.1065 -1.1352 -1.5586 C.3 1 UNL1111111111 -0.4518 22 C -2.4518 -0.4993 1.4228 C.2 1 UNL1111111111 0.4939 23 C -4.3895 0.7036 0.3713 C.3 1 UNL1111111111 -0.2611 24 C -3.7762 0.1733 1.6645 C.3 1 UNL1111111111 -0.3678 25 C -1.8978 -0.7039 -1.0134 C.2 1 UNL1111111111 0.6055 26 C -3.1298 -2.5233 -1.8734 C.3 1 UNL1111111111 -0.1701 27 H -1.8802 2.0357 1.0976 H 1 UNL1111111111 0.1561 28 H 2.3487 -1.7575 1.8426 H 1 UNL1111111111 0.1673 29 H 1.9211 -2.8450 0.5190 H 1 UNL1111111111 0.1492 30 H 3.4451 2.4231 0.1567 H 1 UNL1111111111 0.1643 31 H 2.9962 1.7221 -1.3879 H 1 UNL1111111111 0.1603 32 H 0.1315 -1.4259 2.1453 H 1 UNL1111111111 0.1943 33 H -0.2907 -2.2416 0.6419 H 1 UNL1111111111 0.1639 34 H 5.2227 0.8526 0.5030 H 1 UNL1111111111 0.1758 35 H 5.1423 0.6402 -1.2465 H 1 UNL1111111111 0.1670 36 H -1.3756 3.3180 -1.0265 H 1 UNL1111111111 0.1800 37 H -1.1235 1.8079 -1.9071 H 1 UNL1111111111 0.1975 38 H -3.5446 1.5439 -1.4464 H 1 UNL1111111111 0.1509 39 H -3.7906 2.7287 -0.1693 H 1 UNL1111111111 0.1496 40 H 1.0158 -1.0949 -1.6811 H 1 UNL1111111111 0.1655 41 H 2.5312 -0.4120 -2.2639 H 1 UNL1111111111 0.1515 42 H 2.4302 -2.1362 -1.8721 H 1 UNL1111111111 0.1585 43 H -4.6328 -0.1482 -0.2975 H 1 UNL1111111111 0.1523 44 H -5.3613 1.1879 0.5859 H 1 UNL1111111111 0.1446 45 H -4.4694 -0.5449 2.1554 H 1 UNL1111111111 0.1775 46 H -3.6413 0.9901 2.4055 H 1 UNL1111111111 0.1765 47 H 2.3637 1.5277 2.0849 H 1 UNL1111111111 0.3214 48 H -3.8559 -3.2214 -1.4398 H 1 UNL1111111111 0.1525 49 H -2.2327 -3.0468 -2.2233 H 1 UNL1111111111 0.1471 50 H -3.5711 -1.9350 -2.6844 H 1 UNL1111111111 0.1406 @BOND 1 1 8 1 2 1 47 1 3 2 16 2 4 3 19 2 5 4 22 2 6 5 25 1 7 5 26 1 8 6 25 2 9 7 8 1 10 7 13 1 11 7 16 1 12 7 21 1 13 8 11 1 14 8 14 1 15 9 10 1 16 9 12 1 17 9 22 1 18 9 25 1 19 10 11 2 20 10 15 1 21 11 19 1 22 12 18 1 23 12 20 1 24 12 27 1 25 13 15 1 26 13 28 1 27 13 29 1 28 14 17 1 29 14 30 1 30 14 31 1 31 15 32 1 32 15 33 1 33 16 17 1 34 17 34 1 35 17 35 1 36 18 19 1 37 18 36 1 38 18 37 1 39 20 23 1 40 20 38 1 41 20 39 1 42 21 40 1 43 21 41 1 44 21 42 1 45 22 24 1 46 23 24 1 47 23 43 1 48 23 44 1 49 24 45 1 50 24 46 1 51 26 48 1 52 26 49 1 53 26 50 1