@MOLECULE (3s,3ar,4s,5r,6s,6ar,7e,10s,11e,13r,15e,17ar)-5,6,13-trihydroxy-3-(1h-indol-3-ylmethyl)-4,5,10,12-tetramethyl-2,3,3a,4,5,6,6a,9,10,13-decahydro-1h-cyclotrideca[d]isoindole-1,14,17-trione 78 82 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.2559 4.4385 0.6831 O.3 1 UNL1111111111 -0.5723 2 O 0.1184 3.5754 -1.7331 O.3 1 UNL1111111111 -0.5796 3 O 0.3494 -1.3888 -0.8800 O.2 1 UNL1111111111 -0.5331 4 O 1.1041 0.5881 2.7281 O.2 1 UNL1111111111 -0.4303 5 O 4.8759 -2.5764 2.7602 O.2 1 UNL1111111111 -0.4323 6 O 5.6650 -3.4320 0.3850 O.3 1 UNL1111111111 -0.5240 7 N -1.7125 -0.5478 -0.4097 N.am 1 UNL1111111111 -0.6046 8 N -6.6751 -0.2333 -0.4172 N.ar 1 UNL1111111111 -0.3748 9 C -1.1718 1.0259 1.3103 C.3 1 UNL1111111111 -0.1548 10 C 0.1303 0.5859 0.5748 C.3 1 UNL1111111111 -0.1702 11 C -1.2354 2.5351 1.5564 C.3 1 UNL1111111111 -0.1358 12 C 0.7576 1.7229 -0.2622 C.3 1 UNL1111111111 -0.1684 13 C -1.1008 3.3805 0.2663 C.3 1 UNL1111111111 0.2928 14 C -2.3496 0.4495 0.4682 C.3 1 UNL1111111111 0.0884 15 C -0.3766 2.5779 -0.8590 C.3 1 UNL1111111111 0.0816 16 C -0.3429 -0.5715 -0.3169 C.2 1 UNL1111111111 0.5846 17 C 1.1747 0.1620 1.5996 C.2 1 UNL1111111111 0.4568 18 C -2.4676 2.9114 2.3792 C.3 1 UNL1111111111 -0.4407 19 C -3.4229 -0.2118 1.3587 C.3 1 UNL1111111111 -0.2928 20 C -2.3879 3.9766 -0.2994 C.3 1 UNL1111111111 -0.4983 21 C 1.6258 1.2191 -1.3706 C.2 1 UNL1111111111 -0.2224 22 C -4.6516 -0.4817 0.5876 C.ar 1 UNL1111111111 -0.1145 23 C 2.2721 -0.7400 1.1849 C.2 1 UNL1111111111 -0.2044 24 C 2.8939 1.6108 -1.5322 C.2 1 UNL1111111111 -0.1178 25 C -4.9688 -1.7129 -0.0843 C.ar 1 UNL1111111111 -0.0885 26 C -5.7066 0.3916 0.3737 C.ar 1 UNL1111111111 -0.0464 27 C 3.7276 1.1600 -2.6867 C.3 1 UNL1111111111 -0.3007 28 C 3.1774 -1.1229 2.0892 C.2 1 UNL1111111111 -0.1918 29 C -6.2438 -1.5271 -0.7067 C.ar 1 UNL1111111111 0.1044 30 C 5.0052 0.4509 -2.1859 C.3 1 UNL1111111111 -0.0707 31 C -4.3111 -2.9403 -0.2194 C.ar 1 UNL1111111111 -0.1231 32 C 4.2799 -2.0738 1.8353 C.2 1 UNL1111111111 0.4050 33 C -6.8557 -2.5369 -1.4624 C.ar 1 UNL1111111111 -0.2130 34 C 4.6292 -0.7849 -1.4271 C.2 1 UNL1111111111 -0.1748 35 C 5.8849 0.0711 -3.3839 C.3 1 UNL1111111111 -0.4523 36 C 4.6782 -2.4296 0.4033 C.3 1 UNL1111111111 0.0410 37 C -4.9192 -3.9333 -0.9629 C.ar 1 UNL1111111111 -0.1827 38 C 5.2029 -1.1951 -0.2904 C.2 1 UNL1111111111 -0.0360 39 C -6.1750 -3.7331 -1.5804 C.ar 1 UNL1111111111 -0.1075 40 C 6.3456 -0.5273 0.3870 C.3 1 UNL1111111111 -0.4494 41 H -1.1856 0.5268 2.3178 H 1 UNL1111111111 0.1748 42 H -0.3299 2.7940 2.1872 H 1 UNL1111111111 0.1857 43 H 1.3536 2.3884 0.4256 H 1 UNL1111111111 0.1824 44 H -2.8254 1.2405 -0.1610 H 1 UNL1111111111 0.1509 45 H -1.0836 1.9585 -1.4505 H 1 UNL1111111111 0.1395 46 H -2.2686 -1.2274 -0.8944 H 1 UNL1111111111 0.3362 47 H -2.4552 3.9850 2.6155 H 1 UNL1111111111 0.1570 48 H -3.4013 2.6962 1.8575 H 1 UNL1111111111 0.1418 49 H -2.4801 2.3808 3.3391 H 1 UNL1111111111 0.1462 50 H -3.6434 0.4458 2.2271 H 1 UNL1111111111 0.1654 51 H -3.0233 -1.1483 1.8044 H 1 UNL1111111111 0.1659 52 H -2.1890 4.5007 -1.2453 H 1 UNL1111111111 0.1652 53 H -3.1484 3.2138 -0.4946 H 1 UNL1111111111 0.1498 54 H -2.8115 4.7192 0.3877 H 1 UNL1111111111 0.1617 55 H 1.1518 0.5185 -2.0593 H 1 UNL1111111111 0.1724 56 H 0.0436 4.9575 -0.1005 H 1 UNL1111111111 0.3379 57 H 0.8528 3.2336 -2.2845 H 1 UNL1111111111 0.3348 58 H 2.2770 -1.0573 0.1354 H 1 UNL1111111111 0.2056 59 H 3.3974 2.2798 -0.8343 H 1 UNL1111111111 0.1490 60 H -5.8406 1.4008 0.7169 H 1 UNL1111111111 0.1663 61 H 3.1678 0.4813 -3.3633 H 1 UNL1111111111 0.1538 62 H 4.0062 2.0320 -3.3120 H 1 UNL1111111111 0.1483 63 H 3.1390 -0.7601 3.1271 H 1 UNL1111111111 0.1955 64 H -7.5357 0.1654 -0.7062 H 1 UNL1111111111 0.3137 65 H 5.5680 1.1608 -1.5317 H 1 UNL1111111111 0.1409 66 H -3.3508 -3.1045 0.2669 H 1 UNL1111111111 0.1563 67 H -7.8223 -2.3805 -1.9283 H 1 UNL1111111111 0.1584 68 H 3.8155 -1.3554 -1.8835 H 1 UNL1111111111 0.1587 69 H 6.1753 0.9527 -3.9641 H 1 UNL1111111111 0.1422 70 H 6.8047 -0.4265 -3.0543 H 1 UNL1111111111 0.1531 71 H 5.3685 -0.6199 -4.0601 H 1 UNL1111111111 0.1505 72 H 3.8233 -2.9025 -0.1447 H 1 UNL1111111111 0.1708 73 H -4.4297 -4.8986 -1.0825 H 1 UNL1111111111 0.1575 74 H -6.6101 -4.5496 -2.1569 H 1 UNL1111111111 0.1528 75 H 6.9035 0.1401 -0.2826 H 1 UNL1111111111 0.1550 76 H 7.0714 -1.2658 0.7651 H 1 UNL1111111111 0.1668 77 H 6.0125 0.0765 1.2442 H 1 UNL1111111111 0.1575 78 H 6.0981 -3.5170 1.2715 H 1 UNL1111111111 0.3330 @BOND 1 1 13 1 2 1 56 1 3 2 15 1 4 2 57 1 5 3 16 2 6 4 17 2 7 5 32 2 8 6 36 1 9 6 78 1 10 7 14 1 11 7 16 am 12 7 46 1 13 8 26 ar 14 8 29 ar 15 8 64 1 16 9 10 1 17 9 11 1 18 9 14 1 19 9 41 1 20 10 12 1 21 10 16 1 22 10 17 1 23 11 13 1 24 11 18 1 25 11 42 1 26 12 15 1 27 12 21 1 28 12 43 1 29 13 15 1 30 13 20 1 31 14 19 1 32 14 44 1 33 15 45 1 34 17 23 1 35 18 47 1 36 18 48 1 37 18 49 1 38 19 22 1 39 19 50 1 40 19 51 1 41 20 52 1 42 20 53 1 43 20 54 1 44 21 24 2 45 21 55 1 46 22 25 ar 47 22 26 ar 48 23 28 2 49 23 58 1 50 24 27 1 51 24 59 1 52 25 29 ar 53 25 31 ar 54 26 60 1 55 27 30 1 56 27 61 1 57 27 62 1 58 28 32 1 59 28 63 1 60 29 33 ar 61 30 34 1 62 30 35 1 63 30 65 1 64 31 37 ar 65 31 66 1 66 32 36 1 67 33 39 ar 68 33 67 1 69 34 38 2 70 34 68 1 71 35 69 1 72 35 70 1 73 35 71 1 74 36 38 1 75 36 72 1 76 37 39 ar 77 37 73 1 78 38 40 1 79 39 74 1 80 40 75 1 81 40 76 1 82 40 77 1