@MOLECULE 9,19-cyclo-9,10-secoandrosta-1,3,5(10)-triene-3,17-diol 47 50 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.2001 0.2491 1.9342 O.3 1 UNL1111111111 -0.5671 2 O 5.8373 -0.8077 1.0642 O.3 1 UNL1111111111 -0.4775 3 C -3.0682 0.4437 -0.1432 C.3 1 UNL1111111111 0.0534 4 C -2.0024 -0.6467 0.1449 C.3 1 UNL1111111111 -0.1400 5 C -0.7074 -0.3833 -0.6310 C.3 1 UNL1111111111 -0.1239 6 C -0.1534 0.9834 -0.1426 C.3 1 UNL1111111111 -0.0963 7 C -4.3112 -0.1444 0.5796 C.3 1 UNL1111111111 0.1317 8 C -2.5433 1.7642 0.4177 C.3 1 UNL1111111111 -0.2832 9 C -2.7566 -1.9646 -0.0993 C.3 1 UNL1111111111 -0.2729 10 C -1.2056 2.1115 -0.2525 C.3 1 UNL1111111111 -0.2837 11 C -4.1827 -1.6820 0.4298 C.3 1 UNL1111111111 -0.3321 12 C 0.2805 -1.5327 -0.3659 C.3 1 UNL1111111111 -0.2723 13 C -3.4347 0.5892 -1.6266 C.3 1 UNL1111111111 -0.4654 14 C 1.0880 1.4173 -0.9564 C.3 1 UNL1111111111 -0.2842 15 C 1.5448 -1.4528 -1.2359 C.3 1 UNL1111111111 -0.2842 16 C 2.3415 0.7919 -0.4317 C.ar 1 UNL1111111111 -0.0809 17 C 2.5684 -0.5823 -0.5759 C.ar 1 UNL1111111111 0.0786 18 C 3.2908 1.5905 0.2140 C.ar 1 UNL1111111111 -0.0991 19 C 3.7433 -1.1538 -0.0842 C.ar 1 UNL1111111111 -0.3389 20 C 4.4650 1.0427 0.7154 C.ar 1 UNL1111111111 -0.2575 21 C 4.6699 -0.3297 0.5531 C.ar 1 UNL1111111111 0.2894 22 H -1.7598 -0.6002 1.2402 H 1 UNL1111111111 0.1551 23 H -0.9191 -0.3310 -1.7218 H 1 UNL1111111111 0.1365 24 H 0.1367 0.8771 0.9301 H 1 UNL1111111111 0.1453 25 H -5.2708 0.2521 0.2007 H 1 UNL1111111111 0.1129 26 H -2.4155 1.6861 1.5167 H 1 UNL1111111111 0.1620 27 H -3.2754 2.5760 0.2661 H 1 UNL1111111111 0.1377 28 H -2.2900 -2.8097 0.4274 H 1 UNL1111111111 0.1349 29 H -2.7704 -2.2274 -1.1685 H 1 UNL1111111111 0.1358 30 H -1.3780 2.3603 -1.3159 H 1 UNL1111111111 0.1350 31 H -0.7989 3.0299 0.2130 H 1 UNL1111111111 0.1355 32 H -4.9453 -2.0789 -0.2551 H 1 UNL1111111111 0.1383 33 H -4.3415 -2.1777 1.4007 H 1 UNL1111111111 0.1434 34 H -0.2255 -2.4983 -0.5586 H 1 UNL1111111111 0.1369 35 H 0.5607 -1.5497 0.7052 H 1 UNL1111111111 0.1493 36 H -4.1892 1.3704 -1.7686 H 1 UNL1111111111 0.1443 37 H -2.5645 0.8653 -2.2324 H 1 UNL1111111111 0.1524 38 H -3.8322 -0.3431 -2.0404 H 1 UNL1111111111 0.1444 39 H 1.1766 2.5231 -0.9408 H 1 UNL1111111111 0.1434 40 H 0.9482 1.1605 -2.0258 H 1 UNL1111111111 0.1463 41 H 1.2973 -1.0632 -2.2447 H 1 UNL1111111111 0.1532 42 H 1.9407 -2.4728 -1.4109 H 1 UNL1111111111 0.1427 43 H -4.8017 -0.2666 2.4996 H 1 UNL1111111111 0.3113 44 H 3.1084 2.6588 0.3305 H 1 UNL1111111111 0.1516 45 H 3.9272 -2.2161 -0.1907 H 1 UNL1111111111 0.1598 46 H 5.2100 1.6490 1.2215 H 1 UNL1111111111 0.1739 47 H 5.9337 -1.7789 0.9240 H 1 UNL1111111111 0.3242 @BOND 1 1 7 1 2 1 43 1 3 2 21 1 4 2 47 1 5 3 4 1 6 3 7 1 7 3 8 1 8 3 13 1 9 4 5 1 10 4 9 1 11 4 22 1 12 5 6 1 13 5 12 1 14 5 23 1 15 6 10 1 16 6 14 1 17 6 24 1 18 7 11 1 19 7 25 1 20 8 10 1 21 8 26 1 22 8 27 1 23 9 11 1 24 9 28 1 25 9 29 1 26 10 30 1 27 10 31 1 28 11 32 1 29 11 33 1 30 12 15 1 31 12 34 1 32 12 35 1 33 13 36 1 34 13 37 1 35 13 38 1 36 14 16 1 37 14 39 1 38 14 40 1 39 15 17 1 40 15 41 1 41 15 42 1 42 16 17 ar 43 16 18 ar 44 17 19 ar 45 18 20 ar 46 18 44 1 47 19 21 ar 48 19 45 1 49 20 21 ar 50 20 46 1