@MOLECULE (8xi,9xi,14xi)-4,17-dihydroxyandrost-4-en-3-one 50 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.2046 -0.4957 -0.1449 O.3 1 UNL1111111111 -0.5610 2 O 3.9188 -2.0041 -0.1419 O.2 1 UNL1111111111 -0.4631 3 O 5.2540 0.0161 1.1133 O.2 1 UNL1111111111 -0.4662 4 C -2.2369 -0.7902 -0.2355 C.3 1 UNL1111111111 -0.1336 5 C -3.0603 0.5214 -0.1490 C.3 1 UNL1111111111 0.0544 6 C -0.7944 -0.5594 -0.7085 C.3 1 UNL1111111111 -0.1231 7 C -0.0731 0.5269 0.1121 C.3 1 UNL1111111111 -0.1206 8 C 1.3999 0.7456 -0.3655 C.3 1 UNL1111111111 0.0624 9 C -2.2899 1.6186 0.6115 C.3 1 UNL1111111111 -0.2965 10 C -0.8854 1.8293 0.0392 C.3 1 UNL1111111111 -0.2761 11 C -4.2702 0.1002 0.7358 C.3 1 UNL1111111111 0.1284 12 C -2.3798 -1.4341 1.1607 C.3 1 UNL1111111111 -0.2675 13 C -0.0135 -1.8779 -0.6486 C.3 1 UNL1111111111 -0.2764 14 C -3.7164 -0.9300 1.7397 C.3 1 UNL1111111111 -0.3340 15 C 2.1034 -0.5873 -0.4780 C.2 1 UNL1111111111 -0.0223 16 C 1.3972 -1.6806 -1.2067 C.3 1 UNL1111111111 -0.2689 17 C -3.5196 1.0062 -1.5180 C.3 1 UNL1111111111 -0.4525 18 C 2.1024 1.6535 0.6767 C.3 1 UNL1111111111 -0.2856 19 C 1.4652 1.4065 -1.7520 C.3 1 UNL1111111111 -0.4540 20 C 3.6262 1.6716 0.5480 C.3 1 UNL1111111111 -0.3709 21 C 3.3497 -0.7712 -0.0023 C.2 1 UNL1111111111 0.0284 22 C 4.1807 0.2794 0.6218 C.2 1 UNL1111111111 0.4489 23 H -2.7403 -1.4607 -0.9788 H 1 UNL1111111111 0.1482 24 H -0.8446 -0.2197 -1.7726 H 1 UNL1111111111 0.1396 25 H -0.0224 0.1858 1.1760 H 1 UNL1111111111 0.1411 26 H -2.2150 1.3507 1.6819 H 1 UNL1111111111 0.1403 27 H -2.8586 2.5670 0.5744 H 1 UNL1111111111 0.1367 28 H -0.3785 2.6368 0.5986 H 1 UNL1111111111 0.1318 29 H -0.9565 2.1861 -0.9989 H 1 UNL1111111111 0.1420 30 H -4.7727 0.9603 1.2177 H 1 UNL1111111111 0.1100 31 H -2.3565 -2.5286 1.0867 H 1 UNL1111111111 0.1358 32 H -1.5345 -1.1483 1.8156 H 1 UNL1111111111 0.1393 33 H 0.0473 -2.2492 0.3930 H 1 UNL1111111111 0.1463 34 H -0.5440 -2.6612 -1.2200 H 1 UNL1111111111 0.1395 35 H -4.4277 -1.7558 1.8871 H 1 UNL1111111111 0.1434 36 H -3.5695 -0.4719 2.7307 H 1 UNL1111111111 0.1397 37 H 1.9570 -2.6395 -1.1433 H 1 UNL1111111111 0.1678 38 H 1.3587 -1.4372 -2.2912 H 1 UNL1111111111 0.1517 39 H -4.2107 1.8533 -1.4312 H 1 UNL1111111111 0.1469 40 H -2.6772 1.3148 -2.1454 H 1 UNL1111111111 0.1408 41 H -4.0641 0.2140 -2.0550 H 1 UNL1111111111 0.1652 42 H 1.7157 2.6872 0.5826 H 1 UNL1111111111 0.1483 43 H 1.8270 1.3255 1.6979 H 1 UNL1111111111 0.1487 44 H 2.4838 1.4040 -2.1452 H 1 UNL1111111111 0.1487 45 H 0.8378 0.8702 -2.4765 H 1 UNL1111111111 0.1526 46 H 1.1254 2.4443 -1.7246 H 1 UNL1111111111 0.1463 47 H 4.0764 2.3095 1.3365 H 1 UNL1111111111 0.1743 48 H 3.9369 2.1328 -0.4143 H 1 UNL1111111111 0.1753 49 H -5.9189 -0.9349 0.3511 H 1 UNL1111111111 0.3093 50 H 4.8107 -2.0229 0.3018 H 1 UNL1111111111 0.3403 @BOND 1 1 11 1 2 1 49 1 3 2 21 1 4 2 50 1 5 3 22 2 6 4 5 1 7 4 6 1 8 4 12 1 9 4 23 1 10 5 9 1 11 5 11 1 12 5 17 1 13 6 7 1 14 6 13 1 15 6 24 1 16 7 8 1 17 7 10 1 18 7 25 1 19 8 15 1 20 8 18 1 21 8 19 1 22 9 10 1 23 9 26 1 24 9 27 1 25 10 28 1 26 10 29 1 27 11 14 1 28 11 30 1 29 12 14 1 30 12 31 1 31 12 32 1 32 13 16 1 33 13 33 1 34 13 34 1 35 14 35 1 36 14 36 1 37 15 16 1 38 15 21 2 39 16 37 1 40 16 38 1 41 17 39 1 42 17 40 1 43 17 41 1 44 18 20 1 45 18 42 1 46 18 43 1 47 19 44 1 48 19 45 1 49 19 46 1 50 20 22 1 51 20 47 1 52 20 48 1 53 21 22 1