@MOLECULE (3s,4ar,5as,6as,6bs,9r,9ar,11as,11br)-5-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-9a,11b-dimethyl-9-[(2r)-6-methyl-2-heptanyl]hexadecahydro-2h-cyclopenta[1,2]phenanthro[8a,9-b]aziren-3-yl acetate 95 101 0 0 0 SMALL GASTEIGER @ATOM 1 O 5.1043 -2.7044 -0.0503 O.3 1 UNL11 -0.4527 2 O 3.1408 1.0742 -2.2606 O.2 1 UNL11 -0.4000 3 O 4.0428 1.5704 2.2375 O.2 1 UNL11 -0.4573 4 O 6.2902 -0.8060 0.1526 O.2 1 UNL11 -0.5350 5 N 2.0191 0.6029 0.2500 N.3 1 UNL11 -0.1746 6 N 3.2284 1.2445 0.0760 N.am 1 UNL11 -0.4563 7 C 2.0003 -0.8315 0.7348 C.3 1 UNL11 0.0321 8 C 0.9880 -1.7360 0.0239 C.3 1 UNL11 0.0854 9 C 1.5135 0.2961 1.6202 C.3 1 UNL11 -0.0650 10 C -0.3004 -0.9119 -0.2735 C.3 1 UNL11 -0.1340 11 C -0.9071 -0.3738 1.0487 C.3 1 UNL11 -0.1137 12 C 0.0409 0.6089 1.7674 C.3 1 UNL11 -0.2813 13 C -2.2083 0.3554 0.7025 C.3 1 UNL11 -0.1376 14 C -3.2564 -0.5899 0.0423 C.3 1 UNL11 0.0756 15 C 3.3128 -1.5157 1.0286 C.3 1 UNL11 -0.3483 16 C 1.6364 -2.2135 -1.2967 C.3 1 UNL11 -0.2905 17 C -1.3174 -1.7367 -1.0865 C.3 1 UNL11 -0.2752 18 C -2.6575 -1.0143 -1.3043 C.3 1 UNL11 -0.2972 19 C -4.4862 0.3659 -0.0460 C.3 1 UNL11 -0.1491 20 C 0.6732 -2.9350 0.9335 C.3 1 UNL11 -0.4624 21 C -2.9860 1.0127 1.8502 C.3 1 UNL11 -0.2803 22 C 3.9195 -1.9383 -0.3160 C.3 1 UNL11 0.1543 23 C 2.9981 -2.8881 -1.0827 C.3 1 UNL11 -0.3014 24 C -4.4192 1.1637 1.2913 C.3 1 UNL11 -0.2835 25 C -3.5854 -1.8157 0.9015 C.3 1 UNL11 -0.4599 26 C -5.8647 -0.2926 -0.2423 C.3 1 UNL11 -0.0918 27 C 3.7072 1.4264 -1.2690 C.2 1 UNL11 0.5977 28 C 4.1831 1.6668 1.0496 C.2 1 UNL11 0.5807 29 C -6.9612 0.7948 -0.3109 C.3 1 UNL11 -0.2899 30 C -5.9068 -1.1260 -1.5300 C.3 1 UNL11 -0.4531 31 C 5.0300 2.1037 -1.1109 C.ar 1 UNL11 -0.1189 32 C 5.3145 2.2428 0.2659 C.ar 1 UNL11 -0.1024 33 C -8.3517 0.2016 -0.0488 C.3 1 UNL11 -0.2692 34 C 6.2465 -2.0107 0.1699 C.2 1 UNL11 0.6416 35 C 5.9191 2.5260 -2.0701 C.ar 1 UNL11 -0.0796 36 C 6.4923 2.8008 0.7023 C.ar 1 UNL11 -0.0739 37 C -9.4342 1.2788 -0.1919 C.3 1 UNL11 -0.2893 38 C 7.3750 -2.9528 0.4126 C.3 1 UNL11 -0.5076 39 C 7.1260 3.1024 -1.6297 C.ar 1 UNL11 -0.1347 40 C 7.4066 3.2353 -0.2766 C.ar 1 UNL11 -0.1294 41 C -10.8449 0.6968 0.0208 C.3 1 UNL11 -0.0603 42 C -11.8500 1.8374 0.2315 C.3 1 UNL11 -0.4576 43 C -11.2744 -0.1564 -1.1791 C.3 1 UNL11 -0.4536 44 H 2.1049 0.5603 2.5098 H 1 UNL11 0.1849 45 H -0.0060 -0.0278 -0.8987 H 1 UNL11 0.1700 46 H -1.1205 -1.2267 1.7309 H 1 UNL11 0.1396 47 H -0.1271 1.6393 1.3792 H 1 UNL11 0.1652 48 H -0.2276 0.6469 2.8410 H 1 UNL11 0.1442 49 H -1.9547 1.1573 -0.0395 H 1 UNL11 0.1438 50 H 3.1656 -2.3945 1.6862 H 1 UNL11 0.1699 51 H 4.0179 -0.8656 1.5844 H 1 UNL11 0.1699 52 H 0.9617 -2.9163 -1.8171 H 1 UNL11 0.1424 53 H 1.7577 -1.3378 -1.9713 H 1 UNL11 0.1673 54 H -1.5043 -2.7079 -0.5922 H 1 UNL11 0.1364 55 H -0.8831 -1.9768 -2.0763 H 1 UNL11 0.1350 56 H -2.5091 -0.1305 -1.9522 H 1 UNL11 0.1408 57 H -3.3479 -1.6766 -1.8542 H 1 UNL11 0.1345 58 H -4.3172 1.0685 -0.8933 H 1 UNL11 0.1343 59 H 0.4191 -2.6091 1.9486 H 1 UNL11 0.1505 60 H -0.1706 -3.5172 0.5488 H 1 UNL11 0.1472 61 H 1.5223 -3.6215 1.0158 H 1 UNL11 0.1481 62 H -2.9744 0.3849 2.7546 H 1 UNL11 0.1349 63 H -2.5568 1.9832 2.1377 H 1 UNL11 0.1336 64 H 4.1950 -1.0579 -0.9390 H 1 UNL11 0.1436 65 H 3.4506 -3.1510 -2.0574 H 1 UNL11 0.1484 66 H 2.8892 -3.8441 -0.5377 H 1 UNL11 0.1522 67 H -5.1570 0.7831 2.0140 H 1 UNL11 0.1349 68 H -4.6650 2.2220 1.1192 H 1 UNL11 0.1306 69 H -4.0568 -1.5246 1.8462 H 1 UNL11 0.1454 70 H -4.2704 -2.4931 0.3821 H 1 UNL11 0.1408 71 H -2.6872 -2.3909 1.1511 H 1 UNL11 0.1470 72 H -6.0754 -0.9588 0.6269 H 1 UNL11 0.1353 73 H -6.7631 1.5935 0.4264 H 1 UNL11 0.1379 74 H -6.9355 1.2890 -1.2991 H 1 UNL11 0.1389 75 H -5.5618 -0.5466 -2.3929 H 1 UNL11 0.1439 76 H -6.9242 -1.4680 -1.7496 H 1 UNL11 0.1428 77 H -5.2780 -2.0191 -1.4507 H 1 UNL11 0.1427 78 H -8.5498 -0.6292 -0.7516 H 1 UNL11 0.1375 79 H -8.3895 -0.2423 0.9632 H 1 UNL11 0.1338 80 H 5.7052 2.4151 -3.1323 H 1 UNL11 0.1693 81 H 6.7172 2.8958 1.7642 H 1 UNL11 0.1715 82 H -9.2502 2.0883 0.5391 H 1 UNL11 0.1366 83 H -9.3702 1.7532 -1.1880 H 1 UNL11 0.1382 84 H 7.0307 -3.9706 0.6526 H 1 UNL11 0.1841 85 H 8.0157 -3.0215 -0.4808 H 1 UNL11 0.1827 86 H 8.0049 -2.5975 1.2431 H 1 UNL11 0.1838 87 H 7.8498 3.4414 -2.3697 H 1 UNL11 0.1513 88 H 8.3507 3.6755 0.0419 H 1 UNL11 0.1519 89 H -10.8365 0.0551 0.9343 H 1 UNL11 0.1284 90 H -11.6026 2.4281 1.1196 H 1 UNL11 0.1408 91 H -12.8659 1.4510 0.3661 H 1 UNL11 0.1420 92 H -11.8685 2.5178 -0.6263 H 1 UNL11 0.1443 93 H -11.2901 0.4321 -2.1025 H 1 UNL11 0.1440 94 H -12.2780 -0.5692 -1.0331 H 1 UNL11 0.1404 95 H -10.5919 -0.9982 -1.3366 H 1 UNL11 0.1418 @BOND 1 1 22 1 2 1 34 1 3 2 27 2 4 3 28 2 5 4 34 2 6 5 6 1 7 5 7 1 8 6 27 am 9 6 28 am 10 7 8 1 11 7 9 1 12 7 15 1 13 8 10 1 14 8 16 1 15 8 20 1 16 9 5 1 17 9 12 1 18 9 44 1 19 10 11 1 20 10 17 1 21 10 45 1 22 11 12 1 23 11 13 1 24 11 46 1 25 12 47 1 26 12 48 1 27 13 14 1 28 13 21 1 29 13 49 1 30 14 18 1 31 14 19 1 32 14 25 1 33 15 22 1 34 15 50 1 35 15 51 1 36 16 23 1 37 16 52 1 38 16 53 1 39 17 18 1 40 17 54 1 41 17 55 1 42 18 56 1 43 18 57 1 44 19 24 1 45 19 26 1 46 19 58 1 47 20 59 1 48 20 60 1 49 20 61 1 50 21 24 1 51 21 62 1 52 21 63 1 53 22 23 1 54 22 64 1 55 23 65 1 56 23 66 1 57 24 67 1 58 24 68 1 59 25 69 1 60 25 70 1 61 25 71 1 62 26 29 1 63 26 30 1 64 26 72 1 65 27 31 1 66 28 32 1 67 29 33 1 68 29 73 1 69 29 74 1 70 30 75 1 71 30 76 1 72 30 77 1 73 31 32 ar 74 31 35 ar 75 32 36 ar 76 33 37 1 77 33 78 1 78 33 79 1 79 34 38 1 80 35 39 ar 81 35 80 1 82 36 40 ar 83 36 81 1 84 37 41 1 85 37 82 1 86 37 83 1 87 38 84 1 88 38 85 1 89 38 86 1 90 39 40 ar 91 39 87 1 92 40 88 1 93 41 42 1 94 41 43 1 95 41 89 1 96 42 90 1 97 42 91 1 98 42 92 1 99 43 93 1 100 43 94 1 101 43 95 1