@MOLECULE 17alpha-cyanomethyl-19-nortestosterone 50 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.2928 0.4299 1.5642 O.3 1 UNL1111111111 -0.5555 2 O 6.4296 0.2624 0.8759 O.2 1 UNL1111111111 -0.4639 3 N -6.7086 0.2829 0.7050 N.1 1 UNL1111111111 -0.2571 4 C -1.8834 0.3868 -0.4233 C.3 1 UNL1111111111 0.0091 5 C -1.0985 -0.8222 0.1609 C.3 1 UNL1111111111 -0.1323 6 C 0.3205 -0.8811 -0.3965 C.3 1 UNL1111111111 -0.1294 7 C 1.0513 0.4079 0.0563 C.3 1 UNL1111111111 -0.1171 8 C -3.2919 0.1027 0.1927 C.3 1 UNL1111111111 0.2924 9 C -1.1859 1.6636 0.0513 C.3 1 UNL1111111111 -0.2873 10 C -2.0310 -2.0186 -0.0838 C.3 1 UNL1111111111 -0.2742 11 C 0.2849 1.6632 -0.4090 C.3 1 UNL1111111111 -0.2787 12 C -3.4397 -1.4414 0.1746 C.3 1 UNL1111111111 -0.3040 13 C 2.5042 0.4247 -0.4814 C.3 1 UNL1111111111 -0.1545 14 C 1.0678 -2.1032 0.1484 C.3 1 UNL1111111111 -0.2745 15 C -1.9793 0.3719 -1.9520 C.3 1 UNL1111111111 -0.4597 16 C 2.4791 -2.1396 -0.4403 C.3 1 UNL1111111111 -0.3044 17 C 3.2229 -0.8648 -0.1826 C.2 1 UNL1111111111 0.1225 18 C -4.4659 0.8458 -0.4833 C.3 1 UNL1111111111 -0.3381 19 C 3.2526 1.6322 0.1221 C.3 1 UNL1111111111 -0.2632 20 C 4.7507 1.5796 -0.1678 C.3 1 UNL1111111111 -0.3846 21 C 4.5032 -0.9075 0.2171 C.2 1 UNL1111111111 -0.3771 22 C 5.3314 0.2940 0.3738 C.2 1 UNL1111111111 0.4943 23 C -5.7086 0.5373 0.1820 C.1 1 UNL1111111111 0.1302 24 H -1.0281 -0.6797 1.2740 H 1 UNL1111111111 0.1601 25 H 0.2991 -0.9326 -1.5082 H 1 UNL1111111111 0.1392 26 H 1.0896 0.4108 1.1730 H 1 UNL1111111111 0.1474 27 H -1.2199 1.7347 1.1565 H 1 UNL1111111111 0.1471 28 H -1.6973 2.5622 -0.3364 H 1 UNL1111111111 0.1345 29 H -1.8067 -2.8579 0.5921 H 1 UNL1111111111 0.1426 30 H -1.9334 -2.4071 -1.1092 H 1 UNL1111111111 0.1374 31 H 0.3334 1.7468 -1.5100 H 1 UNL1111111111 0.1387 32 H 0.7786 2.5719 -0.0145 H 1 UNL1111111111 0.1390 33 H -4.1624 -1.7744 -0.5823 H 1 UNL1111111111 0.1454 34 H -3.8339 -1.7801 1.1536 H 1 UNL1111111111 0.1745 35 H 2.4742 0.5371 -1.5956 H 1 UNL1111111111 0.1534 36 H 0.5248 -3.0324 -0.1050 H 1 UNL1111111111 0.1427 37 H 1.1115 -2.0709 1.2543 H 1 UNL1111111111 0.1501 38 H -0.9864 0.3243 -2.4167 H 1 UNL1111111111 0.1549 39 H -2.5351 -0.4987 -2.3183 H 1 UNL1111111111 0.1500 40 H -2.4607 1.2769 -2.3361 H 1 UNL1111111111 0.1426 41 H 2.4292 -2.3104 -1.5375 H 1 UNL1111111111 0.1568 42 H 3.0286 -3.0149 -0.0349 H 1 UNL1111111111 0.1576 43 H -4.5267 0.5677 -1.5619 H 1 UNL1111111111 0.1885 44 H -4.2719 1.9434 -0.4738 H 1 UNL1111111111 0.1782 45 H 3.0880 1.6626 1.2184 H 1 UNL1111111111 0.1510 46 H 2.8314 2.5752 -0.2749 H 1 UNL1111111111 0.1414 47 H -3.2331 1.3932 1.7116 H 1 UNL1111111111 0.3153 48 H 5.2707 2.4534 0.2754 H 1 UNL1111111111 0.1723 49 H 4.9518 1.6371 -1.2560 H 1 UNL1111111111 0.1668 50 H 5.0159 -1.8418 0.4423 H 1 UNL1111111111 0.1795 @BOND 1 1 8 1 2 1 47 1 3 2 22 2 4 3 23 3 5 4 5 1 6 4 8 1 7 4 9 1 8 4 15 1 9 5 6 1 10 5 10 1 11 5 24 1 12 6 7 1 13 6 14 1 14 6 25 1 15 7 11 1 16 7 13 1 17 7 26 1 18 8 12 1 19 8 18 1 20 9 11 1 21 9 27 1 22 9 28 1 23 10 12 1 24 10 29 1 25 10 30 1 26 11 31 1 27 11 32 1 28 12 33 1 29 12 34 1 30 13 17 1 31 13 19 1 32 13 35 1 33 14 16 1 34 14 36 1 35 14 37 1 36 15 38 1 37 15 39 1 38 15 40 1 39 16 17 1 40 16 41 1 41 16 42 1 42 17 21 2 43 18 23 1 44 18 43 1 45 18 44 1 46 19 20 1 47 19 45 1 48 19 46 1 49 20 22 1 50 20 48 1 51 20 49 1 52 21 22 1 53 21 50 1