@MOLECULE (10xi,13xi,14xi)-androsta-4,6,8-triene-3,17-dione 43 46 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.0300 -1.0192 -0.0506 O.2 1 UNL1111111111 -0.4504 2 O 5.6366 -0.1523 0.5605 O.2 1 UNL1111111111 -0.4651 3 C -2.7094 -0.5351 0.4506 C.3 1 UNL1111111111 -0.0337 4 C -2.0132 0.8486 0.4944 C.3 1 UNL1111111111 -0.1205 5 C -2.0530 -1.4524 -0.5887 C.3 1 UNL1111111111 -0.2713 6 C 0.1271 -0.2914 -0.1651 C.2 1 UNL1111111111 0.0072 7 C -0.5480 0.8208 0.1882 C.2 1 UNL1111111111 -0.0903 8 C 1.6105 -0.2550 -0.4729 C.3 1 UNL1111111111 0.0319 9 C -2.7859 1.7311 -0.5221 C.3 1 UNL1111111111 -0.2675 10 C -0.5562 -1.6130 -0.3104 C.3 1 UNL1111111111 -0.2787 11 C -4.1255 -0.2317 -0.0483 C.2 1 UNL1111111111 0.4641 12 C -4.2180 1.1877 -0.5522 C.3 1 UNL1111111111 -0.3890 13 C -2.7768 -1.1841 1.8271 C.3 1 UNL1111111111 -0.4475 14 C 2.3098 -1.5061 0.1079 C.3 1 UNL1111111111 -0.2698 15 C 2.2923 0.9807 0.0803 C.2 1 UNL1111111111 0.0937 16 C 0.1383 2.0976 0.3113 C.2 1 UNL1111111111 -0.1041 17 C 1.7486 -0.1992 -2.0092 C.3 1 UNL1111111111 -0.4426 18 C 1.4789 2.1765 0.2462 C.2 1 UNL1111111111 -0.2107 19 C 3.8171 -1.4924 -0.1371 C.3 1 UNL1111111111 -0.3779 20 C 3.5979 0.9905 0.4020 C.2 1 UNL1111111111 -0.3436 21 C 4.4550 -0.1979 0.3071 C.2 1 UNL1111111111 0.4883 22 H -2.1472 1.2786 1.5199 H 1 UNL1111111111 0.1538 23 H -2.1964 -1.0338 -1.6051 H 1 UNL1111111111 0.1466 24 H -2.5538 -2.4405 -0.5921 H 1 UNL1111111111 0.1553 25 H -2.3171 1.6644 -1.5200 H 1 UNL1111111111 0.1494 26 H -2.7540 2.7932 -0.2367 H 1 UNL1111111111 0.1424 27 H -0.1002 -2.2119 -1.1263 H 1 UNL1111111111 0.1517 28 H -0.4073 -2.2063 0.6193 H 1 UNL1111111111 0.1603 29 H -4.6646 1.2249 -1.5614 H 1 UNL1111111111 0.1732 30 H -4.8987 1.7748 0.0930 H 1 UNL1111111111 0.1738 31 H -1.7750 -1.3685 2.2326 H 1 UNL1111111111 0.1545 32 H -3.3131 -0.5567 2.5491 H 1 UNL1111111111 0.1488 33 H -3.3063 -2.1463 1.7851 H 1 UNL1111111111 0.1632 34 H 1.8806 -2.4273 -0.3288 H 1 UNL1111111111 0.1456 35 H 2.1056 -1.5575 1.1967 H 1 UNL1111111111 0.1514 36 H -0.4773 2.9836 0.4668 H 1 UNL1111111111 0.1526 37 H 1.3626 -1.1082 -2.4806 H 1 UNL1111111111 0.1505 38 H 1.1904 0.6513 -2.4205 H 1 UNL1111111111 0.1561 39 H 2.7949 -0.0808 -2.3135 H 1 UNL1111111111 0.1576 40 H 2.0069 3.1241 0.3454 H 1 UNL1111111111 0.1650 41 H 4.0462 -1.6478 -1.2124 H 1 UNL1111111111 0.1712 42 H 4.3016 -2.3444 0.3841 H 1 UNL1111111111 0.1736 43 H 4.1004 1.8859 0.7684 H 1 UNL1111111111 0.1810 @BOND 1 1 11 2 2 2 21 2 3 3 4 1 4 3 5 1 5 3 11 1 6 3 13 1 7 4 7 1 8 4 9 1 9 4 22 1 10 5 10 1 11 5 23 1 12 5 24 1 13 6 7 2 14 6 8 1 15 6 10 1 16 7 16 1 17 8 14 1 18 8 15 1 19 8 17 1 20 9 12 1 21 9 25 1 22 9 26 1 23 10 27 1 24 10 28 1 25 11 12 1 26 12 29 1 27 12 30 1 28 13 31 1 29 13 32 1 30 13 33 1 31 14 19 1 32 14 34 1 33 14 35 1 34 15 18 1 35 15 20 2 36 16 18 2 37 16 36 1 38 17 37 1 39 17 38 1 40 17 39 1 41 18 40 1 42 19 21 1 43 19 41 1 44 19 42 1 45 20 21 1 46 20 43 1