@MOLECULE (8r,9s,10r,13s,14s,17r)-13-ethyl-17-ethynyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-ol 52 55 0 0 0 SMALL USER_CHARGES @ATOM 1 O -3.3074 -1.7803 0.3848 O.3 1 UNL11111111 -0.5471 2 C -1.6172 -0.1891 -0.2080 C.3 1 UNL11111111 0.0556 3 C -1.1300 1.0891 0.5354 C.3 1 UNL11111111 -0.1433 4 C 0.3937 1.3072 0.5820 C.3 1 UNL11111111 -0.1193 5 C 1.1499 0.0073 0.9376 C.3 1 UNL11111111 -0.1059 6 C -0.7553 -1.4085 0.1493 C.3 1 UNL11111111 -0.2749 7 C -3.0525 -0.3869 0.4052 C.3 1 UNL11111111 0.2983 8 C -1.7181 0.9881 1.9631 C.3 1 UNL11111111 -0.2741 9 C 0.7406 -1.1262 -0.0084 C.3 1 UNL11111111 -0.2775 10 C 2.6749 0.2871 0.9578 C.3 1 UNL11111111 -0.1298 11 C -2.9718 0.1080 1.8736 C.3 1 UNL11111111 -0.3302 12 C 0.8957 1.9086 -0.7424 C.3 1 UNL11111111 -0.2722 13 C -1.6709 0.0360 -1.7279 C.3 1 UNL11111111 -0.2760 14 C 3.1250 0.8866 -0.3419 C.2 1 UNL11111111 0.0086 15 C 2.4092 2.1547 -0.7013 C.3 1 UNL11111111 -0.2911 16 C 3.4963 -0.9502 1.3726 C.3 1 UNL11111111 -0.2751 17 C -2.2561 -1.1449 -2.5024 C.3 1 UNL11111111 -0.4328 18 C -4.0996 0.3163 -0.3042 C.1 1 UNL11111111 -0.1223 19 C 4.0092 -1.7572 0.1751 C.3 1 UNL11111111 -0.2593 20 C 4.0931 0.3782 -1.1117 C.2 1 UNL11111111 -0.2150 21 C 4.8405 -0.8641 -0.7548 C.3 1 UNL11111111 -0.2623 22 C -4.9865 0.9024 -0.8823 C.1 1 UNL11111111 -0.1983 23 H -1.5907 1.9735 0.0325 H 1 UNL11111111 0.1369 24 H 0.6031 2.0543 1.3896 H 1 UNL11111111 0.1315 25 H 0.8560 -0.2925 1.9746 H 1 UNL11111111 0.1297 26 H -1.0533 -2.2748 -0.4726 H 1 UNL11111111 0.1545 27 H -0.9661 -1.7226 1.1912 H 1 UNL11111111 0.1485 28 H -0.9853 0.5440 2.6591 H 1 UNL11111111 0.1435 29 H -1.9518 1.9885 2.3596 H 1 UNL11111111 0.1346 30 H 1.3114 -2.0455 0.2215 H 1 UNL11111111 0.1365 31 H 0.9921 -0.8707 -1.0536 H 1 UNL11111111 0.1468 32 H 2.8437 1.0661 1.7524 H 1 UNL11111111 0.1364 33 H -2.8987 -0.7612 2.5509 H 1 UNL11111111 0.1569 34 H -3.8773 0.6574 2.1716 H 1 UNL11111111 0.1439 35 H 0.3652 2.8539 -0.9557 H 1 UNL11111111 0.1332 36 H 0.6626 1.2257 -1.5840 H 1 UNL11111111 0.1485 37 H -2.2562 0.9495 -1.9504 H 1 UNL11111111 0.1364 38 H -0.6452 0.2390 -2.1005 H 1 UNL11111111 0.1438 39 H 2.6515 2.9437 0.0391 H 1 UNL11111111 0.1446 40 H 2.7500 2.5507 -1.6775 H 1 UNL11111111 0.1416 41 H 2.8949 -1.5985 2.0359 H 1 UNL11111111 0.1360 42 H 4.3620 -0.6186 1.9787 H 1 UNL11111111 0.1332 43 H -3.1901 -1.4996 -2.0465 H 1 UNL11111111 0.1573 44 H -2.4737 -0.8690 -3.5387 H 1 UNL11111111 0.1351 45 H -1.5667 -1.9965 -2.5214 H 1 UNL11111111 0.1446 46 H -4.2352 -1.9704 0.6247 H 1 UNL11111111 0.3127 47 H 3.1602 -2.1868 -0.3906 H 1 UNL11111111 0.1435 48 H 4.6117 -2.6143 0.5246 H 1 UNL11111111 0.1278 49 H 4.3998 0.8516 -2.0396 H 1 UNL11111111 0.1406 50 H 5.1206 -1.4269 -1.6666 H 1 UNL11111111 0.1370 51 H 5.7976 -0.5892 -0.2637 H 1 UNL11111111 0.1430 52 H -5.7367 1.4015 -1.3772 H 1 UNL11111111 0.1854 @BOND 1 44 17 1 2 45 17 1 3 17 43 1 4 17 13 1 5 38 13 1 6 49 20 1 7 37 13 1 8 13 2 1 9 40 15 1 10 50 21 1 11 36 12 1 12 52 22 1 13 20 21 1 14 20 14 2 15 31 9 1 16 35 12 1 17 22 18 3 18 21 51 1 19 21 19 1 20 12 15 1 21 12 4 1 22 15 14 1 23 15 39 1 24 26 6 1 25 47 19 1 26 14 10 1 27 18 7 1 28 2 6 1 29 2 7 1 30 2 3 1 31 9 6 1 32 9 30 1 33 9 5 1 34 23 3 1 35 6 27 1 36 19 48 1 37 19 16 1 38 1 7 1 39 1 46 1 40 7 11 1 41 3 4 1 42 3 8 1 43 4 5 1 44 4 24 1 45 5 10 1 46 5 25 1 47 10 16 1 48 10 32 1 49 16 42 1 50 16 41 1 51 11 8 1 52 11 34 1 53 11 33 1 54 8 29 1 55 8 28 1