@MOLECULE 5alpha-androstan-3alpha-ol 52 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.5452 -0.2677 -1.4978 O.3 1 UNL1111111111 -0.5651 2 C 0.0387 0.4585 -0.2962 C.3 1 UNL1111111111 -0.1393 3 C 0.9238 -0.6890 0.2635 C.3 1 UNL1111111111 -0.1208 4 C -1.3877 0.4117 0.3300 C.3 1 UNL1111111111 0.0653 5 C 2.2824 -0.5865 -0.4292 C.3 1 UNL1111111111 -0.1400 6 C 2.9880 0.7514 -0.0729 C.3 1 UNL1111111111 0.0834 7 C -1.9889 -0.9825 -0.0022 C.3 1 UNL1111111111 -0.1099 8 C 0.7151 1.8309 -0.0990 C.3 1 UNL1111111111 -0.2770 9 C 0.2791 -2.0553 -0.0118 C.3 1 UNL1111111111 -0.2837 10 C 2.1450 1.8841 -0.6690 C.3 1 UNL1111111111 -0.2969 11 C -1.1311 -2.1148 0.5819 C.3 1 UNL1111111111 -0.2810 12 C 3.3493 -1.6488 -0.1274 C.3 1 UNL1111111111 -0.2793 13 C 4.3783 0.5426 -0.7203 C.3 1 UNL1111111111 -0.2994 14 C -2.2789 1.4769 -0.3545 C.3 1 UNL1111111111 -0.2909 15 C 4.6793 -0.9656 -0.5334 C.3 1 UNL1111111111 -0.2608 16 C -3.4394 -1.1124 0.4807 C.3 1 UNL1111111111 -0.3493 17 C -1.3407 0.6787 1.8390 C.3 1 UNL1111111111 -0.4559 18 C 3.1858 0.9742 1.4337 C.3 1 UNL1111111111 -0.4591 19 C -3.7454 1.3847 0.0768 C.3 1 UNL1111111111 -0.3295 20 C -4.3294 -0.0195 -0.1246 C.3 1 UNL1111111111 0.1686 21 H -0.0696 0.2923 -1.3956 H 1 UNL1111111111 0.1335 22 H 1.0461 -0.5651 1.3629 H 1 UNL1111111111 0.1412 23 H 2.1032 -0.6012 -1.5357 H 1 UNL1111111111 0.1381 24 H -1.9855 -1.0938 -1.1162 H 1 UNL1111111111 0.1298 25 H 0.7404 2.0866 0.9764 H 1 UNL1111111111 0.1412 26 H 0.1085 2.6179 -0.5843 H 1 UNL1111111111 0.1332 27 H 0.9065 -2.8580 0.4179 H 1 UNL1111111111 0.1371 28 H 0.2435 -2.2486 -1.0998 H 1 UNL1111111111 0.1385 29 H 2.1152 1.8021 -1.7705 H 1 UNL1111111111 0.1374 30 H 2.6008 2.8655 -0.4497 H 1 UNL1111111111 0.1364 31 H -1.5934 -3.0945 0.3612 H 1 UNL1111111111 0.1350 32 H -1.0897 -2.0414 1.6835 H 1 UNL1111111111 0.1398 33 H 3.1786 -2.5764 -0.6913 H 1 UNL1111111111 0.1315 34 H 3.3506 -1.9242 0.9384 H 1 UNL1111111111 0.1361 35 H 5.1492 1.1727 -0.2574 H 1 UNL1111111111 0.1353 36 H 4.3602 0.8090 -1.7878 H 1 UNL1111111111 0.1337 37 H -2.2036 1.3766 -1.4531 H 1 UNL1111111111 0.1335 38 H -1.8982 2.4893 -0.1209 H 1 UNL1111111111 0.1400 39 H 5.4476 -1.1195 0.2390 H 1 UNL1111111111 0.1305 40 H 5.0771 -1.4007 -1.4622 H 1 UNL1111111111 0.1300 41 H -3.8417 -2.1041 0.1946 H 1 UNL1111111111 0.1519 42 H -3.4888 -1.0710 1.5831 H 1 UNL1111111111 0.1468 43 H -0.6406 0.0073 2.3477 H 1 UNL1111111111 0.1470 44 H -1.0264 1.7056 2.0532 H 1 UNL1111111111 0.1424 45 H -2.3220 0.5365 2.3035 H 1 UNL1111111111 0.1452 46 H 3.6999 1.9216 1.6229 H 1 UNL1111111111 0.1408 47 H 2.2333 1.0041 1.9732 H 1 UNL1111111111 0.1463 48 H 3.7861 0.1737 1.8784 H 1 UNL1111111111 0.1468 49 H -3.8495 1.6784 1.1373 H 1 UNL1111111111 0.1450 50 H -4.3490 2.1119 -0.5017 H 1 UNL1111111111 0.1501 51 H -5.3688 -0.0821 0.2756 H 1 UNL1111111111 0.1315 52 H -3.7067 -0.2345 -1.9967 H 1 UNL1111111111 0.3147 @BOND 1 1 20 1 2 1 52 1 3 2 3 1 4 2 4 1 5 2 8 1 6 2 21 1 7 3 5 1 8 3 9 1 9 3 22 1 10 4 7 1 11 4 14 1 12 4 17 1 13 5 6 1 14 5 12 1 15 5 23 1 16 6 10 1 17 6 13 1 18 6 18 1 19 7 11 1 20 7 16 1 21 7 24 1 22 8 10 1 23 8 25 1 24 8 26 1 25 9 11 1 26 9 27 1 27 9 28 1 28 10 29 1 29 10 30 1 30 11 31 1 31 11 32 1 32 12 15 1 33 12 33 1 34 12 34 1 35 13 15 1 36 13 35 1 37 13 36 1 38 14 19 1 39 14 37 1 40 14 38 1 41 15 39 1 42 15 40 1 43 16 20 1 44 16 41 1 45 16 42 1 46 17 43 1 47 17 44 1 48 17 45 1 49 18 46 1 50 18 47 1 51 18 48 1 52 19 20 1 53 19 49 1 54 19 50 1 55 20 51 1