@MOLECULE (5alpha,17alpha)-17-hydroxy-19-norpregn-20-yn-3-one 50 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.6293 -0.7826 0.8765 O.3 1 UNL1111111111 -0.5401 2 O 6.0759 -0.2935 -0.6513 O.2 1 UNL1111111111 -0.4679 3 C -1.5650 0.7904 -0.1710 C.3 1 UNL1111111111 -0.1542 4 C -0.1133 0.8824 0.2885 C.3 1 UNL1111111111 -0.1167 5 C -2.2936 -0.3993 0.5092 C.3 1 UNL1111111111 0.0664 6 C 0.6109 -0.4213 -0.1429 C.3 1 UNL1111111111 -0.1225 7 C 2.0865 -0.3551 0.3272 C.3 1 UNL1111111111 -0.1293 8 C -1.6151 -1.6957 0.0654 C.3 1 UNL1111111111 -0.2931 9 C -0.1147 -1.6598 0.4176 C.3 1 UNL1111111111 -0.2785 10 C -3.7472 -0.1463 -0.0233 C.3 1 UNL1111111111 0.2919 11 C -2.4862 1.9932 0.0936 C.3 1 UNL1111111111 -0.2729 12 C 0.5682 2.0910 -0.3687 C.3 1 UNL1111111111 -0.2826 13 C 2.7707 0.8727 -0.3176 C.3 1 UNL1111111111 -0.0906 14 C -3.9148 1.4057 0.0510 C.3 1 UNL1111111111 -0.3226 15 C 2.0331 2.1667 0.0620 C.3 1 UNL1111111111 -0.2845 16 C -2.3411 -0.3263 2.0382 C.3 1 UNL1111111111 -0.4440 17 C 2.8661 -1.6188 -0.0760 C.3 1 UNL1111111111 -0.2699 18 C 4.2368 0.9921 0.1273 C.3 1 UNL1111111111 -0.4055 19 C 4.3321 -1.5514 0.3627 C.3 1 UNL1111111111 -0.3838 20 C 4.9906 -0.2864 -0.1267 C.2 1 UNL1111111111 0.4929 21 C -3.9656 -0.6195 -1.3717 C.1 1 UNL1111111111 -0.1312 22 C -4.1406 -0.9968 -2.5082 C.1 1 UNL1111111111 -0.1899 23 H -1.5592 0.6078 -1.2788 H 1 UNL1111111111 0.1445 24 H -0.0671 0.9861 1.3959 H 1 UNL1111111111 0.1423 25 H 0.5933 -0.4832 -1.2572 H 1 UNL1111111111 0.1380 26 H 2.1062 -0.2503 1.4352 H 1 UNL1111111111 0.1388 27 H -1.7454 -1.8551 -1.0211 H 1 UNL1111111111 0.1435 28 H -2.0961 -2.5644 0.5539 H 1 UNL1111111111 0.1499 29 H 0.0100 -1.7005 1.5155 H 1 UNL1111111111 0.1407 30 H 0.3574 -2.5766 0.0162 H 1 UNL1111111111 0.1357 31 H -2.3489 2.7844 -0.6577 H 1 UNL1111111111 0.1365 32 H -2.2715 2.4514 1.0734 H 1 UNL1111111111 0.1426 33 H 0.0415 3.0208 -0.0860 H 1 UNL1111111111 0.1370 34 H 0.4960 2.0207 -1.4706 H 1 UNL1111111111 0.1407 35 H 2.7422 0.7526 -1.4265 H 1 UNL1111111111 0.1418 36 H -4.4816 1.6710 0.9585 H 1 UNL1111111111 0.1567 37 H -4.4844 1.7934 -0.8047 H 1 UNL1111111111 0.1440 38 H 2.5237 3.0347 -0.4162 H 1 UNL1111111111 0.1381 39 H 2.0993 2.3394 1.1516 H 1 UNL1111111111 0.1387 40 H -2.8189 0.5946 2.3893 H 1 UNL1111111111 0.1497 41 H -2.9304 -1.1624 2.4429 H 1 UNL1111111111 0.1630 42 H -1.3455 -0.3772 2.4889 H 1 UNL1111111111 0.1416 43 H 2.8074 -1.7634 -1.1739 H 1 UNL1111111111 0.1457 44 H 2.3962 -2.5156 0.3723 H 1 UNL1111111111 0.1438 45 H 4.3012 1.2384 1.2058 H 1 UNL1111111111 0.1670 46 H 4.7246 1.8381 -0.3991 H 1 UNL1111111111 0.1711 47 H 4.8848 -2.4369 -0.0152 H 1 UNL1111111111 0.1701 48 H 4.4137 -1.5969 1.4679 H 1 UNL1111111111 0.1653 49 H -5.5463 -0.7680 0.5373 H 1 UNL1111111111 0.3141 50 H -4.2884 -1.3189 -3.4738 H 1 UNL1111111111 0.1876 @BOND 1 1 10 1 2 1 49 1 3 2 20 2 4 3 4 1 5 3 5 1 6 3 11 1 7 3 23 1 8 4 6 1 9 4 12 1 10 4 24 1 11 5 8 1 12 5 10 1 13 5 16 1 14 6 7 1 15 6 9 1 16 6 25 1 17 7 13 1 18 7 17 1 19 7 26 1 20 8 9 1 21 8 27 1 22 8 28 1 23 9 29 1 24 9 30 1 25 10 14 1 26 10 21 1 27 11 14 1 28 11 31 1 29 11 32 1 30 12 15 1 31 12 33 1 32 12 34 1 33 13 15 1 34 13 18 1 35 13 35 1 36 14 36 1 37 14 37 1 38 15 38 1 39 15 39 1 40 16 40 1 41 16 41 1 42 16 42 1 43 17 19 1 44 17 43 1 45 17 44 1 46 18 20 1 47 18 45 1 48 18 46 1 49 19 20 1 50 19 47 1 51 19 48 1 52 21 22 3 53 22 50 1