@MOLECULE 5-(3-hydroxyandrost-5-en-17-yl)-1,2-dihydro-3h-pyrazol-3-one 58 62 0 0 0 SMALL GASTEIGER @ATOM 1 O -7.0105 -0.8996 -0.1500 O.3 1 UNL1111111111 -0.5736 2 O 6.8862 -1.0228 -1.2794 O.2 1 UNL1111111111 -0.4745 3 N 4.4713 -1.0307 1.1874 N.ar 1 UNL1111111111 -0.3409 4 N 5.4803 -1.7008 0.4245 N.ar 1 UNL1111111111 -0.4736 5 C 1.5141 0.2113 0.2191 C.3 1 UNL1111111111 0.0841 6 C 0.5406 1.3919 0.4845 C.3 1 UNL1111111111 -0.1426 7 C -0.8283 1.1366 -0.1434 C.3 1 UNL1111111111 -0.1169 8 C -1.4241 -0.1497 0.4808 C.3 1 UNL1111111111 -0.1344 9 C -2.7874 -0.4952 -0.1980 C.3 1 UNL1111111111 0.0623 10 C 2.8304 0.8047 0.8218 C.3 1 UNL1111111111 -0.1809 11 C 0.9589 -1.0094 0.9587 C.3 1 UNL1111111111 -0.3035 12 C -0.4456 -1.3397 0.4225 C.3 1 UNL1111111111 -0.2744 13 C 1.3326 2.6254 0.0249 C.3 1 UNL1111111111 -0.2784 14 C 2.8011 2.2955 0.3879 C.3 1 UNL1111111111 -0.2556 15 C -1.7658 2.3198 0.1491 C.3 1 UNL1111111111 -0.2855 16 C -3.6582 0.7395 -0.2706 C.2 1 UNL1111111111 -0.0104 17 C 1.7158 -0.1051 -1.2647 C.3 1 UNL1111111111 -0.4620 18 C -3.4751 -1.5808 0.6697 C.3 1 UNL1111111111 -0.2877 19 C -3.1903 1.9853 -0.1283 C.2 1 UNL1111111111 -0.2052 20 C -2.5924 -1.0110 -1.6345 C.3 1 UNL1111111111 -0.4533 21 C 4.0408 0.0750 0.3820 C.ar 1 UNL1111111111 0.2220 22 C -5.1081 0.5242 -0.5861 C.3 1 UNL1111111111 -0.3526 23 C -4.9198 -1.8515 0.2538 C.3 1 UNL1111111111 -0.2982 24 C -5.7202 -0.5490 0.3264 C.3 1 UNL1111111111 0.1762 25 C 4.9020 0.2728 -0.6549 C.ar 1 UNL1111111111 -0.4129 26 C 5.8993 -0.8007 -0.6306 C.ar 1 UNL1111111111 0.5774 27 H 0.3914 1.4792 1.5921 H 1 UNL1111111111 0.1384 28 H -0.7337 1.0113 -1.2455 H 1 UNL1111111111 0.1464 29 H -1.6317 0.0695 1.5576 H 1 UNL1111111111 0.1385 30 H 2.7605 0.7647 1.9394 H 1 UNL1111111111 0.1613 31 H 0.9111 -0.8187 2.0462 H 1 UNL1111111111 0.1384 32 H 1.6160 -1.8867 0.8248 H 1 UNL1111111111 0.1330 33 H -0.3540 -1.7043 -0.6189 H 1 UNL1111111111 0.1482 34 H -0.8616 -2.1853 1.0025 H 1 UNL1111111111 0.1373 35 H 0.9863 3.5437 0.5205 H 1 UNL1111111111 0.1355 36 H 1.2177 2.7942 -1.0579 H 1 UNL1111111111 0.1438 37 H 3.4646 2.4803 -0.4721 H 1 UNL1111111111 0.1482 38 H 3.1674 2.9404 1.2016 H 1 UNL1111111111 0.1397 39 H -1.4510 3.1966 -0.4530 H 1 UNL1111111111 0.1461 40 H -1.6662 2.6367 1.2095 H 1 UNL1111111111 0.1488 41 H 2.3688 -0.9747 -1.4048 H 1 UNL1111111111 0.1531 42 H 0.7684 -0.3279 -1.7685 H 1 UNL1111111111 0.1537 43 H 2.1732 0.7354 -1.8001 H 1 UNL1111111111 0.1559 44 H -3.4498 -1.2692 1.7320 H 1 UNL1111111111 0.1400 45 H -2.8957 -2.5216 0.6134 H 1 UNL1111111111 0.1421 46 H -3.8467 2.8511 -0.2008 H 1 UNL1111111111 0.1450 47 H -2.0642 -1.9693 -1.6557 H 1 UNL1111111111 0.1461 48 H -2.0246 -0.2955 -2.2393 H 1 UNL1111111111 0.1479 49 H -3.5558 -1.1666 -2.1349 H 1 UNL1111111111 0.1528 50 H -5.6861 1.4641 -0.5047 H 1 UNL1111111111 0.1436 51 H -5.2161 0.2076 -1.6468 H 1 UNL1111111111 0.1688 52 H -5.3825 -2.6164 0.9057 H 1 UNL1111111111 0.1509 53 H -4.9733 -2.2700 -0.7697 H 1 UNL1111111111 0.1584 54 H -5.8251 -0.1845 1.3709 H 1 UNL1111111111 0.1138 55 H 3.7458 -1.6970 1.4691 H 1 UNL1111111111 0.2966 56 H 4.9226 1.0533 -1.3845 H 1 UNL1111111111 0.1930 57 H -7.5974 -0.1240 -0.1791 H 1 UNL1111111111 0.3133 58 H 6.1751 -2.1597 1.0045 H 1 UNL1111111111 0.3163 @BOND 1 1 24 1 2 1 57 1 3 2 26 2 4 3 4 ar 5 3 21 ar 6 3 55 1 7 4 26 ar 8 4 58 1 9 5 6 1 10 5 10 1 11 5 11 1 12 5 17 1 13 6 7 1 14 6 13 1 15 6 27 1 16 7 8 1 17 7 15 1 18 7 28 1 19 8 9 1 20 8 12 1 21 8 29 1 22 9 16 1 23 9 18 1 24 9 20 1 25 10 14 1 26 10 21 1 27 10 30 1 28 11 12 1 29 11 31 1 30 11 32 1 31 12 33 1 32 12 34 1 33 13 14 1 34 13 35 1 35 13 36 1 36 14 37 1 37 14 38 1 38 15 19 1 39 15 39 1 40 15 40 1 41 16 19 2 42 16 22 1 43 17 41 1 44 17 42 1 45 17 43 1 46 18 23 1 47 18 44 1 48 18 45 1 49 19 46 1 50 20 47 1 51 20 48 1 52 20 49 1 53 21 25 ar 54 22 24 1 55 22 50 1 56 22 51 1 57 23 24 1 58 23 52 1 59 23 53 1 60 24 54 1 61 25 26 ar 62 25 56 1