@MOLECULE (10r,11s,13s,17s)-11,17-dihydroxy-6,10,13-trimethyl-17-(1-propyn-1-yl)-8,9,10,11,12,13,14,15,16,17-decahydro-3h-cyclopenta[a]phenanthren-3-one 54 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.1646 -0.0423 2.0250 O.3 1 UNL1111111111 -0.5589 2 O 0.4465 2.7260 0.2968 O.3 1 UNL1111111111 -0.5715 3 O 5.9048 0.9394 1.1562 O.2 1 UNL1111111111 -0.4556 4 C -2.1366 0.0606 -0.1037 C.3 1 UNL1111111111 0.0660 5 C -1.1756 -1.1024 0.2729 C.3 1 UNL1111111111 -0.1357 6 C 0.1339 -0.9630 -0.5003 C.3 1 UNL1111111111 -0.1307 7 C 0.8134 0.3500 -0.0254 C.3 1 UNL1111111111 -0.1826 8 C -1.5141 1.3697 0.3644 C.3 1 UNL1111111111 -0.3500 9 C -3.4218 -0.3861 0.6710 C.3 1 UNL1111111111 0.3150 10 C -0.1183 1.5595 -0.2638 C.3 1 UNL1111111111 0.1623 11 C -2.0283 -2.3643 0.0755 C.3 1 UNL1111111111 -0.2667 12 C -3.4381 -1.9419 0.5488 C.3 1 UNL1111111111 -0.3164 13 C 2.2149 0.4597 -0.6932 C.3 1 UNL1111111111 0.0251 14 C -2.4730 0.1373 -1.5975 C.3 1 UNL1111111111 -0.4649 15 C 1.0399 -2.1363 -0.3222 C.2 1 UNL1111111111 -0.1751 16 C 3.0146 -0.6997 -0.1204 C.2 1 UNL1111111111 0.0579 17 C 2.3719 -2.0180 -0.2023 C.2 1 UNL1111111111 -0.0200 18 C 2.1740 0.3235 -2.2269 C.3 1 UNL1111111111 -0.4483 19 C 2.8405 1.7998 -0.4180 C.2 1 UNL1111111111 -0.0620 20 C -4.6471 0.2231 0.2281 C.1 1 UNL1111111111 -0.2081 21 C 4.1995 -0.5228 0.4835 C.2 1 UNL1111111111 -0.3231 22 C 3.2482 -3.2223 -0.1105 C.3 1 UNL1111111111 -0.4460 23 C 4.0201 1.9594 0.1892 C.2 1 UNL1111111111 -0.3187 24 C 4.8103 0.8074 0.6538 C.2 1 UNL1111111111 0.4754 25 C -5.6762 0.7505 -0.1331 C.1 1 UNL1111111111 -0.0221 26 C -6.8861 1.3754 -0.5614 C.3 1 UNL1111111111 -0.4088 27 H -0.9456 -1.0247 1.3695 H 1 UNL1111111111 0.1647 28 H -0.0926 -0.8853 -1.5975 H 1 UNL1111111111 0.1586 29 H 0.9850 0.2768 1.0796 H 1 UNL1111111111 0.1581 30 H -1.4429 1.3874 1.4715 H 1 UNL1111111111 0.1715 31 H -2.1575 2.2321 0.1086 H 1 UNL1111111111 0.1599 32 H -0.1820 1.8252 -1.3414 H 1 UNL1111111111 0.1399 33 H -1.6436 -3.2128 0.6617 H 1 UNL1111111111 0.1390 34 H -2.0379 -2.6877 -0.9770 H 1 UNL1111111111 0.1366 35 H -4.2147 -2.2772 -0.1532 H 1 UNL1111111111 0.1439 36 H -3.6779 -2.3884 1.5270 H 1 UNL1111111111 0.1516 37 H -2.9333 -0.7888 -1.9592 H 1 UNL1111111111 0.1508 38 H -3.1818 0.9512 -1.7960 H 1 UNL1111111111 0.1533 39 H -1.5868 0.3251 -2.2118 H 1 UNL1111111111 0.1483 40 H 0.5493 -3.1068 -0.3352 H 1 UNL1111111111 0.1521 41 H 1.8932 -0.6888 -2.5398 H 1 UNL1111111111 0.1561 42 H 1.4624 1.0259 -2.6730 H 1 UNL1111111111 0.1511 43 H 3.1610 0.5269 -2.6633 H 1 UNL1111111111 0.1585 44 H 2.2728 2.6592 -0.7921 H 1 UNL1111111111 0.1790 45 H -3.9748 -0.1103 2.5651 H 1 UNL1111111111 0.3188 46 H 0.5400 2.6523 1.2663 H 1 UNL1111111111 0.3220 47 H 4.7796 -1.3442 0.9022 H 1 UNL1111111111 0.1790 48 H 4.1352 -3.1276 -0.7546 H 1 UNL1111111111 0.1614 49 H 2.7322 -4.1435 -0.4108 H 1 UNL1111111111 0.1514 50 H 3.6063 -3.3759 0.9195 H 1 UNL1111111111 0.1637 51 H 4.4684 2.9361 0.3637 H 1 UNL1111111111 0.1785 52 H -7.3041 0.8950 -1.4657 H 1 UNL1111111111 0.1708 53 H -7.6720 1.3333 0.2163 H 1 UNL1111111111 0.1722 54 H -6.7346 2.4441 -0.8057 H 1 UNL1111111111 0.1728 @BOND 1 1 9 1 2 1 45 1 3 2 10 1 4 2 46 1 5 3 24 2 6 4 5 1 7 4 8 1 8 4 9 1 9 4 14 1 10 5 6 1 11 5 11 1 12 5 27 1 13 6 7 1 14 6 15 1 15 6 28 1 16 7 10 1 17 7 13 1 18 7 29 1 19 8 10 1 20 8 30 1 21 8 31 1 22 9 12 1 23 9 20 1 24 10 32 1 25 11 12 1 26 11 33 1 27 11 34 1 28 12 35 1 29 12 36 1 30 13 16 1 31 13 18 1 32 13 19 1 33 14 37 1 34 14 38 1 35 14 39 1 36 15 17 2 37 15 40 1 38 16 17 1 39 16 21 2 40 17 22 1 41 18 41 1 42 18 42 1 43 18 43 1 44 19 23 2 45 19 44 1 46 20 25 3 47 21 24 1 48 21 47 1 49 22 48 1 50 22 49 1 51 22 50 1 52 23 24 1 53 23 51 1 54 25 26 1 55 26 52 1 56 26 53 1 57 26 54 1