@MOLECULE 9-hydroxyandrost-4-ene-3,17-dione 48 51 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.5274 -0.5443 1.2621 O.3 1 UNL1111111111 -0.5659 2 O 4.8067 -1.1576 0.8284 O.2 1 UNL1111111111 -0.4492 3 O -5.2523 -0.0784 1.2284 O.2 1 UNL1111111111 -0.4569 4 C -0.2829 -0.4266 -0.1240 C.3 1 UNL1111111111 0.2941 5 C 0.5711 0.8548 -0.3993 C.3 1 UNL1111111111 -0.1828 6 C 1.8625 0.6994 0.3922 C.3 1 UNL1111111111 -0.1357 7 C 2.6724 -0.5079 -0.1532 C.3 1 UNL1111111111 -0.0419 8 C -1.6660 -0.3224 -0.8646 C.3 1 UNL1111111111 -0.0228 9 C 0.4907 -1.7221 -0.4520 C.3 1 UNL1111111111 -0.2966 10 C 1.8921 -1.7735 0.1851 C.3 1 UNL1111111111 -0.2638 11 C -0.1731 2.1360 -0.0099 C.3 1 UNL1111111111 -0.2717 12 C 2.8747 1.8587 0.4159 C.3 1 UNL1111111111 -0.2726 13 C -2.2921 0.9808 -0.4223 C.2 1 UNL1111111111 0.0889 14 C -1.5148 2.2187 -0.7509 C.3 1 UNL1111111111 -0.3080 15 C 4.0105 -0.3049 0.5575 C.2 1 UNL1111111111 0.4685 16 C 4.1902 1.1774 0.8467 C.3 1 UNL1111111111 -0.3864 17 C -2.5859 -1.5277 -0.5546 C.3 1 UNL1111111111 -0.2606 18 C 3.0065 -0.4470 -1.6490 C.3 1 UNL1111111111 -0.4491 19 C -1.4645 -0.3039 -2.3901 C.3 1 UNL1111111111 -0.4570 20 C -3.3392 -1.4128 0.7689 C.3 1 UNL1111111111 -0.3853 21 C -3.4156 1.0616 0.3029 C.2 1 UNL1111111111 -0.3607 22 C -4.1259 -0.1290 0.7957 C.2 1 UNL1111111111 0.4875 23 H 0.7990 0.8991 -1.4903 H 1 UNL1111111111 0.1502 24 H 1.5818 0.4765 1.4592 H 1 UNL1111111111 0.1652 25 H 0.5670 -1.8431 -1.5464 H 1 UNL1111111111 0.1429 26 H -0.0928 -2.5883 -0.0757 H 1 UNL1111111111 0.1594 27 H 1.7941 -1.8821 1.2850 H 1 UNL1111111111 0.1603 28 H 2.4354 -2.6742 -0.1568 H 1 UNL1111111111 0.1511 29 H 0.4476 3.0200 -0.2513 H 1 UNL1111111111 0.1465 30 H -0.3341 2.1795 1.0841 H 1 UNL1111111111 0.1452 31 H 2.5739 2.6521 1.1161 H 1 UNL1111111111 0.1416 32 H 2.9702 2.3340 -0.5729 H 1 UNL1111111111 0.1404 33 H -1.3554 2.3168 -1.8429 H 1 UNL1111111111 0.1581 34 H -2.0584 3.1389 -0.4567 H 1 UNL1111111111 0.1570 35 H 4.4009 1.3325 1.9201 H 1 UNL1111111111 0.1723 36 H 5.0667 1.5773 0.3098 H 1 UNL1111111111 0.1685 37 H -1.9959 -2.4646 -0.5633 H 1 UNL1111111111 0.1492 38 H -3.3262 -1.6386 -1.3743 H 1 UNL1111111111 0.1471 39 H 3.4692 0.5059 -1.9283 H 1 UNL1111111111 0.1474 40 H 3.7055 -1.2504 -1.9203 H 1 UNL1111111111 0.1587 41 H 2.1158 -0.5730 -2.2731 H 1 UNL1111111111 0.1505 42 H -2.3940 -0.0260 -2.9042 H 1 UNL1111111111 0.1580 43 H -0.6963 0.4091 -2.7061 H 1 UNL1111111111 0.1485 44 H -1.1670 -1.2895 -2.7670 H 1 UNL1111111111 0.1521 45 H -1.0212 0.2243 1.6082 H 1 UNL1111111111 0.3195 46 H -2.6352 -1.4397 1.6288 H 1 UNL1111111111 0.1871 47 H -4.0096 -2.2837 0.9152 H 1 UNL1111111111 0.1718 48 H -3.8648 2.0118 0.5888 H 1 UNL1111111111 0.1795 @BOND 1 1 4 1 2 1 45 1 3 2 15 2 4 3 22 2 5 4 5 1 6 4 8 1 7 4 9 1 8 5 6 1 9 5 11 1 10 5 23 1 11 6 7 1 12 6 12 1 13 6 24 1 14 7 10 1 15 7 15 1 16 7 18 1 17 8 13 1 18 8 17 1 19 8 19 1 20 9 10 1 21 9 25 1 22 9 26 1 23 10 27 1 24 10 28 1 25 11 14 1 26 11 29 1 27 11 30 1 28 12 16 1 29 12 31 1 30 12 32 1 31 13 14 1 32 13 21 2 33 14 33 1 34 14 34 1 35 15 16 1 36 16 35 1 37 16 36 1 38 17 20 1 39 17 37 1 40 17 38 1 41 18 39 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 46 1 49 20 47 1 50 21 22 1 51 21 48 1