@MOLECULE (3alpha,5alpha,16beta,17beta)-16,17-epoxyandrostan-3-ol 51 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.0070 -0.1218 -0.2392 O.3 1 UNL1111111111 -0.3475 2 O 4.8133 -0.3126 1.4599 O.3 1 UNL1111111111 -0.5642 3 C -2.7272 0.7759 0.0780 C.3 1 UNL1111111111 0.0486 4 C -2.0249 -0.5718 0.4512 C.3 1 UNL1111111111 -0.1351 5 C -0.6789 -0.6766 -0.2583 C.3 1 UNL1111111111 -0.1177 6 C -4.1246 0.5466 0.6707 C.3 1 UNL1111111111 -0.0292 7 C 0.2149 0.4535 0.3263 C.3 1 UNL1111111111 -0.1402 8 C -4.3598 -0.9383 0.7375 C.3 1 UNL1111111111 0.0043 9 C 1.6353 0.4172 -0.3136 C.3 1 UNL1111111111 0.0634 10 C -3.1091 -1.6499 0.2295 C.3 1 UNL1111111111 -0.3104 11 C -1.8979 1.8906 0.7187 C.3 1 UNL1111111111 -0.2898 12 C -0.4534 1.8379 0.1814 C.3 1 UNL1111111111 -0.2757 13 C 2.2346 -0.9861 -0.0196 C.3 1 UNL1111111111 -0.1120 14 C -0.0392 -2.0514 -0.0180 C.3 1 UNL1111111111 -0.2837 15 C 1.3672 -2.1018 -0.6216 C.3 1 UNL1111111111 -0.2820 16 C -2.8858 1.0198 -1.4256 C.3 1 UNL1111111111 -0.4490 17 C 2.5373 1.4631 0.3863 C.3 1 UNL1111111111 -0.2922 18 C 3.6791 -1.1095 -0.5217 C.3 1 UNL1111111111 -0.3486 19 C 1.5751 0.7192 -1.8158 C.3 1 UNL1111111111 -0.4558 20 C 3.9978 1.3777 -0.0662 C.3 1 UNL1111111111 -0.3289 21 C 4.5802 -0.0325 0.0960 C.3 1 UNL1111111111 0.1684 22 H -1.8206 -0.5579 1.5550 H 1 UNL1111111111 0.1394 23 H -0.8067 -0.5275 -1.3542 H 1 UNL1111111111 0.1461 24 H -4.5780 1.2936 1.3021 H 1 UNL1111111111 0.1513 25 H 0.3360 0.2531 1.4193 H 1 UNL1111111111 0.1326 26 H -5.0180 -1.4428 1.4302 H 1 UNL1111111111 0.1500 27 H -3.2061 -1.9231 -0.8348 H 1 UNL1111111111 0.1619 28 H -2.8956 -2.5757 0.7806 H 1 UNL1111111111 0.1453 29 H -1.8978 1.7916 1.8192 H 1 UNL1111111111 0.1382 30 H -2.3396 2.8801 0.5014 H 1 UNL1111111111 0.1413 31 H -0.4498 2.1445 -0.8816 H 1 UNL1111111111 0.1437 32 H 0.1500 2.5951 0.7164 H 1 UNL1111111111 0.1342 33 H 2.2426 -1.1236 1.0913 H 1 UNL1111111111 0.1293 34 H -0.6716 -2.8417 -0.4634 H 1 UNL1111111111 0.1386 35 H 0.0033 -2.2707 1.0649 H 1 UNL1111111111 0.1379 36 H 1.8277 -3.0879 -0.4262 H 1 UNL1111111111 0.1358 37 H 1.3190 -2.0042 -1.7213 H 1 UNL1111111111 0.1415 38 H -3.3634 0.1635 -1.9208 H 1 UNL1111111111 0.1614 39 H -3.5251 1.8912 -1.6101 H 1 UNL1111111111 0.1494 40 H -1.9285 1.1958 -1.9248 H 1 UNL1111111111 0.1455 41 H 2.4763 1.3350 1.4828 H 1 UNL1111111111 0.1330 42 H 2.1568 2.4821 0.1832 H 1 UNL1111111111 0.1402 43 H 4.0816 -2.1085 -0.2621 H 1 UNL1111111111 0.1526 44 H 3.7158 -1.0447 -1.6235 H 1 UNL1111111111 0.1476 45 H 2.5519 0.5856 -2.2925 H 1 UNL1111111111 0.1462 46 H 0.8694 0.0611 -2.3341 H 1 UNL1111111111 0.1481 47 H 1.2619 1.7515 -2.0042 H 1 UNL1111111111 0.1429 48 H 4.0897 1.6954 -1.1211 H 1 UNL1111111111 0.1458 49 H 4.6111 2.0899 0.5210 H 1 UNL1111111111 0.1508 50 H 5.6139 -0.0891 -0.3202 H 1 UNL1111111111 0.1327 51 H 3.9827 -0.2863 1.9714 H 1 UNL1111111111 0.3141 @BOND 1 1 6 1 2 1 8 1 3 2 21 1 4 2 51 1 5 3 4 1 6 3 6 1 7 3 11 1 8 3 16 1 9 4 5 1 10 4 10 1 11 4 22 1 12 5 7 1 13 5 14 1 14 5 23 1 15 6 8 1 16 6 24 1 17 7 9 1 18 7 12 1 19 7 25 1 20 8 10 1 21 8 26 1 22 9 13 1 23 9 17 1 24 9 19 1 25 10 27 1 26 10 28 1 27 11 12 1 28 11 29 1 29 11 30 1 30 12 31 1 31 12 32 1 32 13 15 1 33 13 18 1 34 13 33 1 35 14 15 1 36 14 34 1 37 14 35 1 38 15 36 1 39 15 37 1 40 16 38 1 41 16 39 1 42 16 40 1 43 17 20 1 44 17 41 1 45 17 42 1 46 18 21 1 47 18 43 1 48 18 44 1 49 19 45 1 50 19 46 1 51 19 47 1 52 20 21 1 53 20 48 1 54 20 49 1 55 21 50 1