@MOLECULE 4,17beta-dihydroxy-4-androstene-3-one 50 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.3137 0.8361 0.1477 O.3 1 UNL1111 -0.5577 2 O 4.1625 -1.9038 0.1566 O.2 1 UNL1111 -0.4291 3 O 5.3602 0.3041 0.9968 O.2 1 UNL1111 -0.3998 4 C -2.0967 -0.7697 0.4091 C.3 1 UNL1111 -0.1513 5 C -2.9441 0.4948 0.0912 C.3 1 UNL1111 0.0531 6 C -0.7517 -0.7097 -0.3133 C.3 1 UNL1111 -0.1166 7 C 0.0207 0.5134 0.2462 C.3 1 UNL1111 -0.1279 8 C 1.4313 0.6489 -0.4069 C.3 1 UNL1111 0.0818 9 C -2.2160 1.6980 0.6950 C.3 1 UNL1111 -0.2952 10 C -0.8030 1.8089 0.0933 C.3 1 UNL1111 -0.2778 11 C -4.2821 0.1118 0.7826 C.3 1 UNL1111 0.1300 12 C -3.0503 -1.9356 0.1032 C.3 1 UNL1111 -0.2716 13 C 0.0579 -1.9872 -0.0600 C.3 1 UNL1111 -0.2770 14 C -4.4360 -1.4152 0.5525 C.3 1 UNL1111 -0.3341 15 C 2.1593 -0.6727 -0.3234 C.2 1 UNL1111 -0.1192 16 C 1.4091 -1.8842 -0.7748 C.3 1 UNL1111 -0.2609 17 C -3.2086 0.7183 -1.4002 C.3 1 UNL1111 -0.4417 18 C 2.2022 1.7450 0.3761 C.3 1 UNL1111 -0.2857 19 C 1.3476 1.0437 -1.8916 C.3 1 UNL1111 -0.4546 20 C 3.7001 1.7415 0.0803 C.3 1 UNL1111 -0.3774 21 C 3.4410 -0.7554 0.0761 C.2 1 UNL1111 0.0686 22 C 4.2920 0.4065 0.4545 C.2 1 UNL1111 0.4594 23 H -1.8899 -0.7883 1.5105 H 1 UNL1111 0.1389 24 H -0.9117 -0.5886 -1.4081 H 1 UNL1111 0.1440 25 H 0.1796 0.3335 1.3390 H 1 UNL1111 0.1403 26 H -2.1550 1.6066 1.7941 H 1 UNL1111 0.1358 27 H -2.7846 2.6266 0.4997 H 1 UNL1111 0.1487 28 H -0.8851 2.0783 -0.9766 H 1 UNL1111 0.1439 29 H -0.2748 2.6504 0.5784 H 1 UNL1111 0.1345 30 H -4.2901 0.3774 1.8575 H 1 UNL1111 0.1097 31 H -2.7646 -2.8523 0.6386 H 1 UNL1111 0.1345 32 H -3.0466 -2.1843 -0.9701 H 1 UNL1111 0.1415 33 H -0.4994 -2.8712 -0.4199 H 1 UNL1111 0.1389 34 H 0.2090 -2.1404 1.0248 H 1 UNL1111 0.1450 35 H -5.1975 -1.6074 -0.2207 H 1 UNL1111 0.1521 36 H -4.7754 -1.9236 1.4653 H 1 UNL1111 0.1362 37 H 1.2513 -1.8269 -1.8750 H 1 UNL1111 0.1558 38 H 1.9829 -2.8206 -0.6151 H 1 UNL1111 0.1286 39 H -2.2887 0.8776 -1.9685 H 1 UNL1111 0.1384 40 H -3.7382 -0.1315 -1.8451 H 1 UNL1111 0.1492 41 H -3.8515 1.5983 -1.5455 H 1 UNL1111 0.1618 42 H 2.0426 1.6046 1.4642 H 1 UNL1111 0.1486 43 H 1.7810 2.7399 0.1371 H 1 UNL1111 0.1481 44 H 2.3246 0.9550 -2.3802 H 1 UNL1111 0.1497 45 H 0.6498 0.4006 -2.4388 H 1 UNL1111 0.1488 46 H 1.0099 2.0772 -2.0180 H 1 UNL1111 0.1470 47 H 4.2118 2.5564 0.6319 H 1 UNL1111 0.1722 48 H 3.8967 1.9421 -0.9928 H 1 UNL1111 0.1720 49 H -6.1829 0.5896 0.5136 H 1 UNL1111 0.3099 50 H 3.5998 -2.7044 -0.0123 H 1 UNL1111 0.3103 @BOND 1 1 11 1 2 1 49 1 3 2 21 1 4 2 50 1 5 3 22 2 6 4 5 1 7 4 6 1 8 4 12 1 9 4 23 1 10 5 9 1 11 5 11 1 12 5 17 1 13 6 7 1 14 6 13 1 15 6 24 1 16 7 8 1 17 7 10 1 18 7 25 1 19 8 15 1 20 8 18 1 21 8 19 1 22 9 10 1 23 9 26 1 24 9 27 1 25 10 28 1 26 10 29 1 27 11 14 1 28 11 30 1 29 12 14 1 30 12 31 1 31 12 32 1 32 13 16 1 33 13 33 1 34 13 34 1 35 14 35 1 36 14 36 1 37 15 16 1 38 15 21 2 39 16 37 1 40 16 38 1 41 17 39 1 42 17 40 1 43 17 41 1 44 18 20 1 45 18 42 1 46 18 43 1 47 19 44 1 48 19 45 1 49 19 46 1 50 20 22 1 51 20 47 1 52 20 48 1 53 21 22 1