@MOLECULE 5alpha-androstane-3beta,6alpha,17beta-triol 54 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.0055 -3.1238 -0.0866 O.3 1 UNL1111111111 -0.5728 2 O 5.2749 1.0159 0.0812 O.3 1 UNL1111111111 -0.5583 3 O -5.7476 0.4679 -0.1857 O.3 1 UNL1111111111 -0.5655 4 C -0.0309 0.5571 -0.3850 C.3 1 UNL1111111111 -0.1398 5 C 0.7297 -0.6545 0.2218 C.3 1 UNL1111111111 -0.1162 6 C -1.4848 0.6278 0.1714 C.3 1 UNL1111111111 0.0710 7 C 2.1253 -0.6696 -0.4025 C.3 1 UNL1111111111 -0.1446 8 C 2.9152 0.6133 -0.0179 C.3 1 UNL1111111111 0.0549 9 C -2.1900 -0.7013 -0.2182 C.3 1 UNL1111111111 -0.1886 10 C 0.7443 1.8705 -0.1572 C.3 1 UNL1111111111 -0.2745 11 C -0.0005 -1.9637 -0.0881 C.3 1 UNL1111111111 -0.3209 12 C 2.1989 1.8046 -0.6581 C.3 1 UNL1111111111 -0.2944 13 C -1.4540 -1.9067 0.3952 C.3 1 UNL1111111111 0.1555 14 C 3.0862 -1.8132 -0.0404 C.3 1 UNL1111111111 -0.2696 15 C 4.3049 0.2707 -0.6232 C.3 1 UNL1111111111 0.1268 16 C -2.2411 1.7870 -0.5265 C.3 1 UNL1111111111 -0.2882 17 C 4.4842 -1.2532 -0.3930 C.3 1 UNL1111111111 -0.3352 18 C -3.6682 -0.6960 0.1842 C.3 1 UNL1111111111 -0.3434 19 C -1.4876 0.8588 1.6876 C.3 1 UNL1111111111 -0.4607 20 C 3.0742 0.8291 1.4892 C.3 1 UNL1111111111 -0.4416 21 C -3.7339 1.8078 -0.1861 C.3 1 UNL1111111111 -0.3316 22 C -4.3799 0.4616 -0.5324 C.3 1 UNL1111111111 0.1730 23 H -0.1011 0.3937 -1.4888 H 1 UNL1111111111 0.1374 24 H 0.8101 -0.5321 1.3258 H 1 UNL1111111111 0.1447 25 H 1.9962 -0.6829 -1.5155 H 1 UNL1111111111 0.1379 26 H -2.1349 -0.8077 -1.3322 H 1 UNL1111111111 0.1546 27 H 0.7393 2.1304 0.9177 H 1 UNL1111111111 0.1430 28 H 0.2297 2.7022 -0.6731 H 1 UNL1111111111 0.1331 29 H 0.0163 -2.1822 -1.1739 H 1 UNL1111111111 0.1589 30 H 0.5146 -2.8202 0.3872 H 1 UNL1111111111 0.1546 31 H 2.2180 1.7265 -1.7596 H 1 UNL1111111111 0.1346 32 H 2.7265 2.7451 -0.4127 H 1 UNL1111111111 0.1464 33 H -1.5296 -1.9203 1.5027 H 1 UNL1111111111 0.1155 34 H 2.8601 -2.7329 -0.5991 H 1 UNL1111111111 0.1373 35 H 3.0165 -2.0715 1.0285 H 1 UNL1111111111 0.1421 36 H 4.3754 0.5450 -1.6934 H 1 UNL1111111111 0.1087 37 H -2.1100 1.7079 -1.6223 H 1 UNL1111111111 0.1400 38 H -1.7910 2.7558 -0.2371 H 1 UNL1111111111 0.1418 39 H 5.1968 -1.4304 0.4290 H 1 UNL1111111111 0.1514 40 H 4.8971 -1.7448 -1.2836 H 1 UNL1111111111 0.1357 41 H -4.1607 -1.6470 -0.0948 H 1 UNL1111111111 0.1452 42 H -3.7844 -0.6059 1.2782 H 1 UNL1111111111 0.1449 43 H -0.8978 0.1040 2.2185 H 1 UNL1111111111 0.1480 44 H -1.0665 1.8382 1.9416 H 1 UNL1111111111 0.1473 45 H -2.5011 0.8289 2.1006 H 1 UNL1111111111 0.1450 46 H 3.5937 -0.0114 1.9624 H 1 UNL1111111111 0.1491 47 H 3.6834 1.7229 1.6844 H 1 UNL1111111111 0.1594 48 H 2.1142 0.9610 1.9950 H 1 UNL1111111111 0.1396 49 H -3.8837 2.0440 0.8828 H 1 UNL1111111111 0.1424 50 H -4.2428 2.6182 -0.7422 H 1 UNL1111111111 0.1492 51 H -4.4246 0.2960 -1.6332 H 1 UNL1111111111 0.1417 52 H -2.9696 -3.1541 0.0517 H 1 UNL1111111111 0.3135 53 H 6.1716 0.7937 -0.2300 H 1 UNL1111111111 0.3096 54 H -5.8781 0.6562 0.7607 H 1 UNL1111111111 0.3119 @BOND 1 1 13 1 2 1 52 1 3 2 15 1 4 2 53 1 5 3 22 1 6 3 54 1 7 4 5 1 8 4 6 1 9 4 10 1 10 4 23 1 11 5 7 1 12 5 11 1 13 5 24 1 14 6 9 1 15 6 16 1 16 6 19 1 17 7 8 1 18 7 14 1 19 7 25 1 20 8 12 1 21 8 15 1 22 8 20 1 23 9 13 1 24 9 18 1 25 9 26 1 26 10 12 1 27 10 27 1 28 10 28 1 29 11 13 1 30 11 29 1 31 11 30 1 32 12 31 1 33 12 32 1 34 13 33 1 35 14 17 1 36 14 34 1 37 14 35 1 38 15 17 1 39 15 36 1 40 16 21 1 41 16 37 1 42 16 38 1 43 17 39 1 44 17 40 1 45 18 22 1 46 18 41 1 47 18 42 1 48 19 43 1 49 19 44 1 50 19 45 1 51 20 46 1 52 20 47 1 53 20 48 1 54 21 22 1 55 21 49 1 56 21 50 1 57 22 51 1