@MOLECULE androst-4,6-diene-3,17-dione 45 48 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.8929 1.0809 0.8841 O.2 1 UNL1111111111 -0.4466 2 O 5.6796 -0.1030 0.6514 O.2 1 UNL1111111111 -0.4655 3 C -1.9891 -0.7605 0.2731 C.3 1 UNL1111111111 -0.1347 4 C 0.2016 0.3816 0.2298 C.3 1 UNL1111111111 -0.1254 5 C -2.7228 0.5601 -0.0891 C.3 1 UNL1111111111 -0.0389 6 C -0.6159 -0.7846 -0.3957 C.3 1 UNL1111111111 -0.1430 7 C 1.6571 0.3702 -0.3160 C.3 1 UNL1111111111 0.0403 8 C -0.5090 1.7328 0.0218 C.3 1 UNL1111111111 -0.2783 9 C -1.9594 1.7196 0.5412 C.3 1 UNL1111111111 -0.2753 10 C -3.0224 -1.8583 -0.0431 C.3 1 UNL1111111111 -0.2719 11 C -4.1161 0.2703 0.4665 C.2 1 UNL1111111111 0.4632 12 C -4.3618 -1.2279 0.3982 C.3 1 UNL1111111111 -0.3859 13 C 0.0940 -2.0824 -0.1991 C.2 1 UNL1111111111 -0.1104 14 C 2.2814 -0.9730 0.0139 C.2 1 UNL1111111111 0.0888 15 C 2.4587 1.4977 0.3759 C.3 1 UNL1111111111 -0.2774 16 C -2.9304 0.7921 -1.5908 C.3 1 UNL1111111111 -0.4488 17 C 1.7059 0.5461 -1.8402 C.3 1 UNL1111111111 -0.4534 18 C 1.4209 -2.1525 -0.0295 C.2 1 UNL1111111111 -0.2200 19 C 3.9556 1.4141 0.0868 C.3 1 UNL1111111111 -0.3791 20 C 3.5831 -1.0979 0.3249 C.2 1 UNL1111111111 -0.3422 21 C 4.5082 0.0427 0.3877 C.2 1 UNL1111111111 0.4879 22 H -1.8221 -0.7814 1.3829 H 1 UNL1111111111 0.1489 23 H 0.2621 0.1952 1.3326 H 1 UNL1111111111 0.1466 24 H -0.7288 -0.6161 -1.4975 H 1 UNL1111111111 0.1621 25 H -0.4988 2.0081 -1.0493 H 1 UNL1111111111 0.1421 26 H 0.0465 2.5354 0.5440 H 1 UNL1111111111 0.1415 27 H -1.9721 1.6388 1.6447 H 1 UNL1111111111 0.1468 28 H -2.4565 2.6823 0.3135 H 1 UNL1111111111 0.1543 29 H -2.8122 -2.7923 0.4994 H 1 UNL1111111111 0.1430 30 H -3.0287 -2.1144 -1.1141 H 1 UNL1111111111 0.1436 31 H -4.6902 -1.6065 1.3823 H 1 UNL1111111111 0.1720 32 H -5.1837 -1.4570 -0.2994 H 1 UNL1111111111 0.1701 33 H -0.5309 -2.9734 -0.2239 H 1 UNL1111111111 0.1489 34 H 2.2906 1.4498 1.4705 H 1 UNL1111111111 0.1484 35 H 2.0774 2.4844 0.0504 H 1 UNL1111111111 0.1461 36 H -1.9831 0.9741 -2.1105 H 1 UNL1111111111 0.1544 37 H -3.4095 -0.0636 -2.0789 H 1 UNL1111111111 0.1488 38 H -3.5658 1.6719 -1.7614 H 1 UNL1111111111 0.1582 39 H 2.7382 0.5187 -2.2109 H 1 UNL1111111111 0.1561 40 H 1.1639 -0.2540 -2.3571 H 1 UNL1111111111 0.1503 41 H 1.2694 1.5009 -2.1490 H 1 UNL1111111111 0.1486 42 H 1.9220 -3.1147 0.0959 H 1 UNL1111111111 0.1628 43 H 4.5083 2.1773 0.6738 H 1 UNL1111111111 0.1731 44 H 4.1726 1.6591 -0.9737 H 1 UNL1111111111 0.1703 45 H 4.0389 -2.0619 0.5514 H 1 UNL1111111111 0.1793 @BOND 1 1 11 2 2 2 21 2 3 3 5 1 4 3 6 1 5 3 10 1 6 3 22 1 7 4 6 1 8 4 7 1 9 4 8 1 10 4 23 1 11 5 9 1 12 5 11 1 13 5 16 1 14 6 13 1 15 6 24 1 16 7 14 1 17 7 15 1 18 7 17 1 19 8 9 1 20 8 25 1 21 8 26 1 22 9 27 1 23 9 28 1 24 10 12 1 25 10 29 1 26 10 30 1 27 11 12 1 28 12 31 1 29 12 32 1 30 13 18 2 31 13 33 1 32 14 18 1 33 14 20 2 34 15 19 1 35 15 34 1 36 15 35 1 37 16 36 1 38 16 37 1 39 16 38 1 40 17 39 1 41 17 40 1 42 17 41 1 43 18 42 1 44 19 21 1 45 19 43 1 46 19 44 1 47 20 21 1 48 20 45 1