@MOLECULE (8s,9s,10r,14s,17s)-17-acetyl-10-methyl-13-(2-propyn-1-yl)-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3h-cyclopenta[a]phenanthren-3-one 55 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.4999 1.4178 1.8429 O.2 1 UNL11111111111 -0.4640 2 O 6.2081 -0.6469 -0.5524 O.2 1 UNL11111111111 -0.4687 3 C -2.0918 -0.2143 -0.5495 C.3 1 UNL11111111111 0.0928 4 C -1.1909 0.9671 -1.0235 C.3 1 UNL11111111111 -0.1394 5 C 0.1319 1.0752 -0.2406 C.3 1 UNL11111111111 -0.1206 6 C 0.8358 -0.2927 -0.1645 C.3 1 UNL11111111111 -0.1266 7 C 2.2146 -0.2042 0.5615 C.3 1 UNL11111111111 0.0413 8 C -3.5150 0.3847 -0.3136 C.3 1 UNL11111111111 -0.2559 9 C -1.5054 -0.8573 0.7124 C.3 1 UNL11111111111 -0.3068 10 C -0.0734 -1.3542 0.4887 C.3 1 UNL11111111111 -0.2788 11 C -2.0379 2.2442 -0.8560 C.3 1 UNL11111111111 -0.2766 12 C -3.4957 1.7824 -0.9543 C.3 1 UNL11111111111 -0.2573 13 C 1.0463 2.0850 -0.9541 C.3 1 UNL11111111111 -0.2764 14 C -2.1888 -1.2694 -1.6886 C.3 1 UNL11111111111 -0.2829 15 C 3.0458 0.9077 -0.0424 C.2 1 UNL11111111111 0.1114 16 C 2.3695 2.2336 -0.2023 C.3 1 UNL11111111111 -0.3027 17 C 2.9163 -1.5734 0.3724 C.3 1 UNL11111111111 -0.2783 18 C 2.0714 0.1121 2.0595 C.3 1 UNL11111111111 -0.4508 19 C -3.8543 0.4898 1.1608 C.2 1 UNL11111111111 0.4965 20 C 4.4032 -1.5251 0.7128 C.3 1 UNL11111111111 -0.3833 21 C 4.3402 0.7651 -0.3625 C.2 1 UNL11111111111 -0.3797 22 C 5.0895 -0.4755 -0.1286 C.2 1 UNL11111111111 0.4942 23 C -2.9813 -2.4030 -1.3143 C.1 1 UNL11111111111 -0.0452 24 C -4.6937 -0.6183 1.7299 C.3 1 UNL11111111111 -0.5598 25 C -3.6533 -3.3579 -0.9947 C.1 1 UNL11111111111 -0.2509 26 H -0.9524 0.8326 -2.1032 H 1 UNL11111111111 0.1359 27 H -0.0807 1.4358 0.7936 H 1 UNL11111111111 0.1509 28 H 1.0427 -0.6128 -1.2170 H 1 UNL11111111111 0.1371 29 H -4.2828 -0.2502 -0.8121 H 1 UNL11111111111 0.1596 30 H -2.1395 -1.7011 1.0456 H 1 UNL11111111111 0.1451 31 H -1.5069 -0.1242 1.5465 H 1 UNL11111111111 0.1596 32 H 0.3347 -1.6833 1.4638 H 1 UNL11111111111 0.1447 33 H -0.0862 -2.2660 -0.1384 H 1 UNL11111111111 0.1382 34 H -1.7917 3.0053 -1.6096 H 1 UNL11111111111 0.1337 35 H -1.8603 2.7068 0.1348 H 1 UNL11111111111 0.1586 36 H -4.1774 2.4827 -0.4426 H 1 UNL11111111111 0.1497 37 H -3.8270 1.7332 -2.0053 H 1 UNL11111111111 0.1349 38 H 0.5439 3.0674 -1.0301 H 1 UNL11111111111 0.1423 39 H 1.2386 1.7609 -1.9948 H 1 UNL11111111111 0.1438 40 H -1.1589 -1.5931 -1.9759 H 1 UNL11111111111 0.1725 41 H -2.6055 -0.7862 -2.6038 H 1 UNL11111111111 0.1653 42 H 2.1924 2.6763 0.8025 H 1 UNL11111111111 0.1612 43 H 3.0204 2.9616 -0.7287 H 1 UNL11111111111 0.1532 44 H 2.7948 -1.9100 -0.6770 H 1 UNL11111111111 0.1467 45 H 2.4158 -2.3419 0.9911 H 1 UNL11111111111 0.1460 46 H 1.4161 0.9745 2.2283 H 1 UNL11111111111 0.1532 47 H 1.6449 -0.7296 2.6159 H 1 UNL11111111111 0.1506 48 H 3.0433 0.3403 2.5124 H 1 UNL11111111111 0.1502 49 H 4.8764 -2.5149 0.5529 H 1 UNL11111111111 0.1707 50 H 4.5633 -1.2918 1.7842 H 1 UNL11111111111 0.1684 51 H 4.9253 1.5694 -0.8067 H 1 UNL11111111111 0.1784 52 H -5.7574 -0.4438 1.5138 H 1 UNL11111111111 0.1784 53 H -4.4306 -1.6000 1.3152 H 1 UNL11111111111 0.1735 54 H -4.5952 -0.6733 2.8239 H 1 UNL11111111111 0.1808 55 H -4.2196 -4.1727 -0.7313 H 1 UNL11111111111 0.1853 @BOND 1 1 19 2 2 2 22 2 3 3 4 1 4 3 8 1 5 3 9 1 6 3 14 1 7 4 5 1 8 4 11 1 9 4 26 1 10 5 6 1 11 5 13 1 12 5 27 1 13 6 7 1 14 6 10 1 15 6 28 1 16 7 15 1 17 7 17 1 18 7 18 1 19 8 12 1 20 8 19 1 21 8 29 1 22 9 10 1 23 9 30 1 24 9 31 1 25 10 32 1 26 10 33 1 27 11 12 1 28 11 34 1 29 11 35 1 30 12 36 1 31 12 37 1 32 13 16 1 33 13 38 1 34 13 39 1 35 14 23 1 36 14 40 1 37 14 41 1 38 15 16 1 39 15 21 2 40 16 42 1 41 16 43 1 42 17 20 1 43 17 44 1 44 17 45 1 45 18 46 1 46 18 47 1 47 18 48 1 48 19 24 1 49 20 22 1 50 20 49 1 51 20 50 1 52 21 22 1 53 21 51 1 54 23 25 3 55 24 52 1 56 24 53 1 57 24 54 1 58 25 55 1