@MOLECULE 14,17-dihydroxyandrosta-1,4-dien-3-one 48 51 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.6437 -0.5037 -1.5129 O.3 1 UNL111111111111 -0.5889 2 O 3.9878 0.8098 -1.6869 O.3 1 UNL111111111111 -0.5668 3 O -5.4520 -0.1017 -1.2971 O.2 1 UNL111111111111 -0.4512 4 C 1.8428 -0.6307 -0.1037 C.3 1 UNL111111111111 0.2749 5 C 2.5860 0.6720 0.3144 C.3 1 UNL111111111111 -0.0200 6 C 0.4619 -0.7296 0.5520 C.3 1 UNL111111111111 -0.1783 7 C -0.3708 0.4819 0.0552 C.3 1 UNL111111111111 -0.1020 8 C 1.7790 1.8581 -0.2038 C.3 1 UNL111111111111 -0.2687 9 C 3.9811 0.4458 -0.3338 C.3 1 UNL111111111111 0.1570 10 C 2.8749 -1.7492 0.1246 C.3 1 UNL111111111111 -0.3362 11 C 0.3465 1.8126 0.3603 C.3 1 UNL111111111111 -0.2817 12 C -1.8135 0.4442 0.6505 C.3 1 UNL111111111111 0.0082 13 C 4.2317 -1.0841 -0.1937 C.3 1 UNL111111111111 -0.3240 14 C -0.2286 -2.0475 0.1867 C.3 1 UNL111111111111 -0.2712 15 C 2.7940 0.7793 1.8298 C.3 1 UNL111111111111 -0.4595 16 C -1.6206 -2.0982 0.8279 C.3 1 UNL111111111111 -0.2959 17 C -2.4121 -0.9156 0.3629 C.2 1 UNL111111111111 0.0975 18 C -1.8402 0.6673 2.1747 C.3 1 UNL111111111111 -0.4443 19 C -2.6157 1.5638 0.0370 C.2 1 UNL111111111111 -0.0885 20 C -3.5768 -1.0826 -0.2787 C.2 1 UNL111111111111 -0.3543 21 C -3.7727 1.3915 -0.6069 C.2 1 UNL111111111111 -0.2929 22 C -4.3697 0.0515 -0.7763 C.2 1 UNL111111111111 0.4781 23 H 0.5769 -0.6737 1.6588 H 1 UNL111111111111 0.1490 24 H -0.4693 0.3950 -1.0588 H 1 UNL111111111111 0.1665 25 H 1.7484 1.8461 -1.3137 H 1 UNL111111111111 0.1666 26 H 2.2679 2.8113 0.0662 H 1 UNL111111111111 0.1424 27 H 4.7854 1.0660 0.1010 H 1 UNL111111111111 0.1360 28 H 2.6901 -2.6218 -0.5191 H 1 UNL111111111111 0.1436 29 H 2.8390 -2.1175 1.1618 H 1 UNL111111111111 0.1476 30 H 0.3703 1.9933 1.4499 H 1 UNL111111111111 0.1369 31 H -0.2244 2.6540 -0.0785 H 1 UNL111111111111 0.1401 32 H 4.9744 -1.2905 0.5892 H 1 UNL111111111111 0.1403 33 H 4.6580 -1.4699 -1.1358 H 1 UNL111111111111 0.1598 34 H 0.3769 -2.9077 0.5257 H 1 UNL111111111111 0.1393 35 H -0.3238 -2.1461 -0.9123 H 1 UNL111111111111 0.1466 36 H 3.3615 -0.0682 2.2285 H 1 UNL111111111111 0.1469 37 H 3.3490 1.6932 2.0763 H 1 UNL111111111111 0.1526 38 H 1.8464 0.8251 2.3766 H 1 UNL111111111111 0.1493 39 H -1.5410 -2.0998 1.9344 H 1 UNL111111111111 0.1560 40 H -2.1225 -3.0534 0.5715 H 1 UNL111111111111 0.1556 41 H 1.4101 -1.3609 -1.9123 H 1 UNL111111111111 0.3218 42 H -1.1584 -0.0118 2.6965 H 1 UNL111111111111 0.1494 43 H -1.5492 1.6901 2.4390 H 1 UNL111111111111 0.1517 44 H -2.8481 0.5011 2.5766 H 1 UNL111111111111 0.1578 45 H -2.1890 2.5598 0.1731 H 1 UNL111111111111 0.1521 46 H 3.2029 0.4095 -2.1333 H 1 UNL111111111111 0.3436 47 H -4.0065 -2.0633 -0.4765 H 1 UNL111111111111 0.1791 48 H -4.3436 2.2139 -1.0356 H 1 UNL111111111111 0.1778 @BOND 1 1 4 1 2 1 41 1 3 2 9 1 4 2 46 1 5 3 22 2 6 4 5 1 7 4 6 1 8 4 10 1 9 5 8 1 10 5 9 1 11 5 15 1 12 6 7 1 13 6 14 1 14 6 23 1 15 7 11 1 16 7 12 1 17 7 24 1 18 8 11 1 19 8 25 1 20 8 26 1 21 9 13 1 22 9 27 1 23 10 13 1 24 10 28 1 25 10 29 1 26 11 30 1 27 11 31 1 28 12 17 1 29 12 18 1 30 12 19 1 31 13 32 1 32 13 33 1 33 14 16 1 34 14 34 1 35 14 35 1 36 15 36 1 37 15 37 1 38 15 38 1 39 16 17 1 40 16 39 1 41 16 40 1 42 17 20 2 43 18 42 1 44 18 43 1 45 18 44 1 46 19 21 2 47 19 45 1 48 20 22 1 49 20 47 1 50 21 22 1 51 21 48 1