@MOLECULE 17-hydroxyandrost-4-ene-3,11-dione 48 51 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.2569 0.4975 1.7381 O.3 1 UNL1111111111 -0.5620 2 O -0.0027 2.5886 -0.4219 O.2 1 UNL1111111111 -0.4687 3 O 5.4910 -0.3172 1.1433 O.2 1 UNL1111111111 -0.4671 4 C -2.0131 -0.8202 0.2331 C.3 1 UNL1111111111 -0.1454 5 C -2.7192 0.5042 -0.1635 C.3 1 UNL1111111111 0.0254 6 C -0.6123 -0.8943 -0.3684 C.3 1 UNL1111111111 -0.1134 7 C 0.2233 0.2792 0.2028 C.3 1 UNL1111111111 -0.2512 8 C 1.6616 0.2956 -0.3861 C.3 1 UNL1111111111 0.0718 9 C -4.1650 0.2493 0.3491 C.3 1 UNL1111111111 0.1409 10 C -3.0277 -1.9057 -0.1556 C.3 1 UNL1111111111 -0.2706 11 C -1.9600 1.6503 0.5002 C.3 1 UNL1111111111 -0.4097 12 C 0.0720 -2.2171 -0.0042 C.3 1 UNL1111111111 -0.2720 13 C -4.3920 -1.2741 0.2010 C.3 1 UNL1111111111 -0.2982 14 C -0.5167 1.5977 0.0310 C.2 1 UNL1111111111 0.4870 15 C 2.2890 -1.0751 -0.2126 C.2 1 UNL1111111111 0.1006 16 C 1.4700 -2.2609 -0.6244 C.3 1 UNL1111111111 -0.3012 17 C -2.7932 0.7475 -1.6750 C.3 1 UNL1111111111 -0.4671 18 C 2.4742 1.3679 0.3832 C.3 1 UNL1111111111 -0.2842 19 C 1.6634 0.6185 -1.8872 C.3 1 UNL1111111111 -0.4601 20 C 3.9798 1.2352 0.1710 C.3 1 UNL1111111111 -0.3783 21 C 3.5418 -1.2546 0.2296 C.2 1 UNL1111111111 -0.3683 22 C 4.4361 -0.1419 0.5800 C.2 1 UNL1111111111 0.4915 23 H -1.9211 -0.8397 1.3521 H 1 UNL1111111111 0.1573 24 H -0.6695 -0.8104 -1.4787 H 1 UNL1111111111 0.1481 25 H 0.3210 0.1168 1.3105 H 1 UNL1111111111 0.1711 26 H -4.9277 0.8569 -0.1701 H 1 UNL1111111111 0.1132 27 H -2.8585 -2.8433 0.3947 H 1 UNL1111111111 0.1386 28 H -2.9662 -2.1569 -1.2260 H 1 UNL1111111111 0.1369 29 H -1.9976 1.5713 1.6048 H 1 UNL1111111111 0.1758 30 H -2.4048 2.6325 0.2474 H 1 UNL1111111111 0.1730 31 H -0.5314 -3.0715 -0.3637 H 1 UNL1111111111 0.1426 32 H 0.1351 -2.3348 1.0946 H 1 UNL1111111111 0.1490 33 H -5.1536 -1.4937 -0.5595 H 1 UNL1111111111 0.1389 34 H -4.7758 -1.6789 1.1574 H 1 UNL1111111111 0.1658 35 H 1.3972 -2.2846 -1.7336 H 1 UNL1111111111 0.1581 36 H 1.9704 -3.2125 -0.3488 H 1 UNL1111111111 0.1544 37 H -3.2548 -0.0960 -2.2002 H 1 UNL1111111111 0.1526 38 H -3.3806 1.6443 -1.9052 H 1 UNL1111111111 0.1509 39 H -1.8007 0.9020 -2.1163 H 1 UNL1111111111 0.1561 40 H 2.2493 1.3067 1.4654 H 1 UNL1111111111 0.1430 41 H 2.1452 2.3807 0.0666 H 1 UNL1111111111 0.1758 42 H 1.0257 -0.0625 -2.4577 H 1 UNL1111111111 0.1417 43 H 1.3013 1.6402 -2.0717 H 1 UNL1111111111 0.1737 44 H 2.6752 0.5536 -2.3055 H 1 UNL1111111111 0.1530 45 H 4.5259 2.0106 0.7464 H 1 UNL1111111111 0.1726 46 H 4.2520 1.4122 -0.8892 H 1 UNL1111111111 0.1694 47 H 3.9819 -2.2430 0.3563 H 1 UNL1111111111 0.1762 48 H -4.2659 1.4551 1.9231 H 1 UNL1111111111 0.3122 @BOND 1 1 9 1 2 1 48 1 3 2 14 2 4 3 22 2 5 4 5 1 6 4 6 1 7 4 10 1 8 4 23 1 9 5 9 1 10 5 11 1 11 5 17 1 12 6 7 1 13 6 12 1 14 6 24 1 15 7 8 1 16 7 14 1 17 7 25 1 18 8 15 1 19 8 18 1 20 8 19 1 21 9 13 1 22 9 26 1 23 10 13 1 24 10 27 1 25 10 28 1 26 11 14 1 27 11 29 1 28 11 30 1 29 12 16 1 30 12 31 1 31 12 32 1 32 13 33 1 33 13 34 1 34 15 16 1 35 15 21 2 36 16 35 1 37 16 36 1 38 17 37 1 39 17 38 1 40 17 39 1 41 18 20 1 42 18 40 1 43 18 41 1 44 19 42 1 45 19 43 1 46 19 44 1 47 20 22 1 48 20 45 1 49 20 46 1 50 21 22 1 51 21 47 1