@MOLECULE (6beta)-6-bromoandrost-4-ene-3,17-dione 47 50 0 0 0 SMALL GASTEIGER @ATOM 1 BR -1.6438 -2.4199 0.5004 Br 1 UNL1111111111 -0.1314 2 O 5.5576 1.1227 -0.1233 O.2 1 UNL1111111111 -0.4480 3 O -5.0865 1.8635 -0.8666 O.2 1 UNL1111111111 -0.4514 4 C 0.9175 -0.2512 -0.3025 C.3 1 UNL1111111111 -0.1152 5 C 0.3436 1.1862 -0.2241 C.3 1 UNL1111111111 -0.1334 6 C 2.3728 -0.1504 -0.7513 C.3 1 UNL1111111111 -0.1411 7 C 3.2062 0.6358 0.2954 C.3 1 UNL1111111111 -0.0370 8 C -1.1334 1.1650 0.2686 C.3 1 UNL1111111111 0.0495 9 C 1.2161 2.1088 0.6531 C.3 1 UNL1111111111 -0.2761 10 C 2.7108 2.0769 0.2855 C.3 1 UNL1111111111 -0.2755 11 C 0.1113 -1.0532 -1.3297 C.3 1 UNL1111111111 -0.3081 12 C 3.1796 -1.4431 -0.9770 C.3 1 UNL1111111111 -0.2710 13 C -1.9566 0.1838 -0.5433 C.2 1 UNL1111111111 0.0500 14 C 4.6201 0.3848 -0.2269 C.2 1 UNL1111111111 0.4634 15 C -1.3601 -1.1186 -0.9709 C.3 1 UNL1111111111 -0.0854 16 C 4.6480 -0.9704 -0.9140 C.3 1 UNL1111111111 -0.3868 17 C -1.7119 2.5919 0.0719 C.3 1 UNL1111111111 -0.2783 18 C 3.1845 0.0484 1.7113 C.3 1 UNL1111111111 -0.4474 19 C -1.2425 0.7700 1.7501 C.3 1 UNL1111111111 -0.4549 20 C -3.2111 2.6539 0.3491 C.3 1 UNL1111111111 -0.3780 21 C -3.2312 0.4314 -0.8838 C.2 1 UNL1111111111 -0.3230 22 C -3.9498 1.6631 -0.5114 C.2 1 UNL1111111111 0.4849 23 H 0.8592 -0.7430 0.6950 H 1 UNL1111111111 0.1555 24 H 0.3464 1.6051 -1.2625 H 1 UNL1111111111 0.1415 25 H 2.3923 0.4239 -1.7155 H 1 UNL1111111111 0.1442 26 H 1.1007 1.8341 1.7186 H 1 UNL1111111111 0.1459 27 H 0.8534 3.1510 0.5692 H 1 UNL1111111111 0.1387 28 H 2.8760 2.5386 -0.7060 H 1 UNL1111111111 0.1448 29 H 3.2926 2.6952 0.9961 H 1 UNL1111111111 0.1538 30 H 0.5420 -2.0694 -1.4407 H 1 UNL1111111111 0.1618 31 H 0.2163 -0.5885 -2.3349 H 1 UNL1111111111 0.1580 32 H 2.9426 -1.9149 -1.9414 H 1 UNL1111111111 0.1409 33 H 2.9622 -2.1943 -0.2005 H 1 UNL1111111111 0.1469 34 H -1.9346 -1.5680 -1.8177 H 1 UNL1111111111 0.1684 35 H 5.0966 -0.8805 -1.9189 H 1 UNL1111111111 0.1706 36 H 5.2924 -1.6746 -0.3617 H 1 UNL1111111111 0.1707 37 H -1.5110 2.9326 -0.9633 H 1 UNL1111111111 0.1474 38 H -1.1842 3.3066 0.7318 H 1 UNL1111111111 0.1481 39 H 2.1880 0.1107 2.1637 H 1 UNL1111111111 0.1562 40 H 3.4773 -1.0076 1.7247 H 1 UNL1111111111 0.1500 41 H 3.8742 0.5953 2.3679 H 1 UNL1111111111 0.1572 42 H -2.2625 0.4599 2.0106 H 1 UNL1111111111 0.1597 43 H -0.5780 -0.0635 2.0037 H 1 UNL1111111111 0.1559 44 H -0.9798 1.6040 2.4101 H 1 UNL1111111111 0.1500 45 H -3.6019 3.6776 0.1747 H 1 UNL1111111111 0.1733 46 H -3.4307 2.4387 1.4160 H 1 UNL1111111111 0.1743 47 H -3.8342 -0.2757 -1.4574 H 1 UNL1111111111 0.1804 @BOND 1 1 15 1 2 2 14 2 3 3 22 2 4 4 5 1 5 4 6 1 6 4 11 1 7 4 23 1 8 5 8 1 9 5 9 1 10 5 24 1 11 6 7 1 12 6 12 1 13 6 25 1 14 7 10 1 15 7 14 1 16 7 18 1 17 8 13 1 18 8 17 1 19 8 19 1 20 9 10 1 21 9 26 1 22 9 27 1 23 10 28 1 24 10 29 1 25 11 15 1 26 11 30 1 27 11 31 1 28 12 16 1 29 12 32 1 30 12 33 1 31 13 15 1 32 13 21 2 33 14 16 1 34 15 34 1 35 16 35 1 36 16 36 1 37 17 20 1 38 17 37 1 39 17 38 1 40 18 39 1 41 18 40 1 42 18 41 1 43 19 42 1 44 19 43 1 45 19 44 1 46 20 22 1 47 20 45 1 48 20 46 1 49 21 22 1 50 21 47 1