@MOLECULE 17beta-hydroxy-17-methyl-3-oxospiro(androst-5-ene-4,1'-cyclopropane)-2alpha-carbonitrile 57 61 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.6219 -0.7148 0.6787 O.3 1 UNL1111111111 -0.5724 2 O 4.9270 0.1349 -1.1364 O.2 1 UNL1111111111 -0.3992 3 N 4.8590 -3.3016 -0.6381 N.1 1 UNL1111111111 -0.2383 4 C -2.4973 0.6533 -0.5117 C.3 1 UNL1111111111 -0.1403 5 C -0.2596 -0.3973 -0.1622 C.3 1 UNL1111111111 -0.1262 6 C -3.2019 -0.4813 0.2787 C.3 1 UNL1111111111 0.0034 7 C -1.0789 0.9054 -0.0001 C.3 1 UNL1111111111 -0.1141 8 C 1.1810 -0.2075 0.4095 C.3 1 UNL1111111111 0.0693 9 C 3.2386 1.2594 0.1141 C.3 1 UNL1111111111 -0.1356 10 C 1.7764 1.0993 -0.0739 C.2 1 UNL1111111111 -0.0475 11 C -4.6560 -0.3769 -0.2956 C.3 1 UNL1111111111 0.3065 12 C -0.9681 -1.6106 0.4736 C.3 1 UNL1111111111 -0.2734 13 C -2.4249 -1.7713 0.0024 C.3 1 UNL1111111111 -0.2926 14 C -3.4942 1.8209 -0.4508 C.3 1 UNL1111111111 -0.2800 15 C -0.4219 2.0213 -0.8285 C.3 1 UNL1111111111 -0.2954 16 C -4.8752 1.1403 -0.5532 C.3 1 UNL1111111111 -0.3063 17 C 3.7859 1.9654 1.3496 C.3 1 UNL1111111111 -0.2971 18 C 3.9341 2.6064 0.0004 C.3 1 UNL1111111111 -0.2821 19 C 2.0314 -1.3918 -0.1173 C.3 1 UNL1111111111 -0.2833 20 C 1.0500 2.0795 -0.6240 C.2 1 UNL1111111111 -0.1459 21 C -3.2760 -0.2243 1.7885 C.3 1 UNL1111111111 -0.4445 22 C 4.0109 0.0710 -0.3664 C.2 1 UNL1111111111 0.4739 23 C 3.5227 -1.2452 0.2299 C.3 1 UNL1111111111 -0.2130 24 C 1.1820 -0.1888 1.9458 C.3 1 UNL1111111111 -0.4570 25 C -4.9108 -1.2282 -1.5381 C.3 1 UNL1111111111 -0.5091 26 C 4.2710 -2.3794 -0.2633 C.1 1 UNL1111111111 0.1155 27 H -2.4180 0.3312 -1.5825 H 1 UNL1111111111 0.1389 28 H -0.1661 -0.5936 -1.2601 H 1 UNL1111111111 0.1433 29 H -1.1008 1.2087 1.0700 H 1 UNL1111111111 0.1437 30 H -0.9558 -1.5262 1.5763 H 1 UNL1111111111 0.1448 31 H -0.4111 -2.5358 0.2332 H 1 UNL1111111111 0.1349 32 H -2.4408 -2.0165 -1.0756 H 1 UNL1111111111 0.1414 33 H -2.8927 -2.6285 0.5179 H 1 UNL1111111111 0.1355 34 H -3.3335 2.5442 -1.2630 H 1 UNL1111111111 0.1347 35 H -3.3949 2.3820 0.4925 H 1 UNL1111111111 0.1419 36 H -0.8873 2.9954 -0.5714 H 1 UNL1111111111 0.1503 37 H -0.6325 1.8719 -1.9108 H 1 UNL1111111111 0.1580 38 H -5.5812 1.5421 0.1963 H 1 UNL1111111111 0.1634 39 H -5.3404 1.3141 -1.5335 H 1 UNL1111111111 0.1428 40 H 4.6581 1.5658 1.8606 H 1 UNL1111111111 0.1612 41 H 3.0835 2.3805 2.0697 H 1 UNL1111111111 0.1650 42 H 3.3666 3.4990 -0.2456 H 1 UNL1111111111 0.1596 43 H 4.9129 2.6454 -0.4820 H 1 UNL1111111111 0.1784 44 H 1.9143 -1.4715 -1.2178 H 1 UNL1111111111 0.1614 45 H 1.6469 -2.3436 0.2986 H 1 UNL1111111111 0.1595 46 H 1.5126 3.0021 -0.9778 H 1 UNL1111111111 0.1491 47 H -2.2954 -0.0012 2.2189 H 1 UNL1111111111 0.1421 48 H -3.9370 0.6228 2.0159 H 1 UNL1111111111 0.1601 49 H -3.6825 -1.0923 2.3184 H 1 UNL1111111111 0.1428 50 H 3.6395 -1.1830 1.3515 H 1 UNL1111111111 0.1966 51 H 2.1534 0.1191 2.3484 H 1 UNL1111111111 0.1489 52 H 0.4409 0.5227 2.3299 H 1 UNL1111111111 0.1532 53 H 0.9491 -1.1717 2.3680 H 1 UNL1111111111 0.1497 54 H -5.9458 -1.0984 -1.8824 H 1 UNL1111111111 0.1639 55 H -4.2474 -0.9483 -2.3626 H 1 UNL1111111111 0.1560 56 H -4.7718 -2.2951 -1.3374 H 1 UNL1111111111 0.1494 57 H -5.5414 -1.6464 0.9495 H 1 UNL1111111111 0.3143 @BOND 1 1 11 1 2 1 57 1 3 2 22 2 4 3 26 3 5 4 6 1 6 4 7 1 7 4 14 1 8 4 27 1 9 5 7 1 10 5 8 1 11 5 12 1 12 5 28 1 13 6 11 1 14 6 13 1 15 6 21 1 16 7 15 1 17 7 29 1 18 8 10 1 19 8 19 1 20 8 24 1 21 9 10 1 22 9 17 1 23 9 18 1 24 9 22 1 25 10 20 2 26 11 16 1 27 11 25 1 28 12 13 1 29 12 30 1 30 12 31 1 31 13 32 1 32 13 33 1 33 14 16 1 34 14 34 1 35 14 35 1 36 15 20 1 37 15 36 1 38 15 37 1 39 16 38 1 40 16 39 1 41 17 18 1 42 17 40 1 43 17 41 1 44 18 42 1 45 18 43 1 46 19 23 1 47 19 44 1 48 19 45 1 49 20 46 1 50 21 47 1 51 21 48 1 52 21 49 1 53 22 23 1 54 23 26 1 55 23 50 1 56 24 51 1 57 24 52 1 58 24 53 1 59 25 54 1 60 25 55 1 61 25 56 1