@MOLECULE (1e,5e,9z)-15-ethyl-7-hydroxy-14-[1-(1h-indol-3-yl)ethyl]-4,6,15a-trimethyl-4,7,14,14a,15,15a,16a,16b-octahydro-3h-cyclotrideca[d]oxireno[f]isoindole-8,11,12(13h)-trione 81 86 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.0482 -0.0547 0.0810 C.3 1 UNL1 -0.1365 2 C 1.4496 -2.1052 1.6835 C.3 1 UNL1 0.1707 3 C 0.0772 -1.6725 2.0716 C.3 1 UNL1 -0.0238 4 C 1.4481 -0.4122 -0.1405 C.3 1 UNL1 -0.1475 5 C -0.8154 -0.9277 1.0988 C.3 1 UNL1 -0.1161 6 C 1.7272 -0.1704 -1.6597 C.3 1 UNL1 0.0637 7 C 1.8835 -1.8329 0.2585 C.3 1 UNL1 -0.1429 8 C 2.5887 1.1040 -1.8875 C.3 1 UNL1 -0.1027 9 C -4.9989 1.9194 -0.5002 C.3 1 UNL1 0.0476 10 C -5.3244 -1.9461 -0.1577 C.3 1 UNL1 -0.0791 11 C 4.9136 0.0226 -2.0387 C.ar 1 UNL1 -0.0544 12 C 4.0110 1.9186 0.9598 C.ar 1 UNL1 -0.0952 13 C 6.5918 0.7052 1.1182 C.ar 1 UNL1 -0.2284 14 C 4.8022 2.0497 2.0853 C.ar 1 UNL1 -0.1905 15 C 6.0767 1.4466 2.1643 C.ar 1 UNL1 -0.1037 16 C 1.3404 -2.9540 -0.6535 C.3 1 UNL1 -0.2620 17 C 2.1518 -3.2273 2.3896 C.3 1 UNL1 -0.4679 18 C -6.3073 0.6179 1.2165 C.3 1 UNL1 -0.4494 19 C 2.6083 1.5060 -3.3651 C.3 1 UNL1 -0.4424 20 C -6.2282 -2.5762 -1.2247 C.3 1 UNL1 -0.4506 21 C 2.4728 -3.7170 -1.3397 C.3 1 UNL1 -0.4387 22 H 0.2618 -0.0378 -3.2485 H 1 UNL1 0.3243 23 H 6.8707 -0.5931 -1.4456 H 1 UNL1 0.3103 24 H -6.2715 3.1267 0.4197 H 1 UNL1 0.3270 25 C 3.9534 0.7894 -1.3969 C.ar 1 UNL1 -0.1179 26 O -1.8012 -0.0607 -1.6697 O.2 1 UNL1 -0.5402 27 O 0.7685 2.1608 0.5479 O.2 1 UNL1 -0.4188 28 O -4.1251 3.1113 1.3667 O.2 1 UNL1 -0.4400 29 C -4.0297 -2.7786 0.0118 C.3 1 UNL1 -0.2911 30 O -6.0733 2.8250 -0.4978 O.3 1 UNL1 -0.5217 31 C -0.6361 -0.0861 -1.3422 C.2 1 UNL1 0.5789 32 C -5.4089 0.5663 0.0310 C.2 1 UNL1 -0.0612 33 C -0.1800 1.4239 0.5103 C.2 1 UNL1 0.4648 34 C -3.8684 2.4671 0.3791 C.2 1 UNL1 0.4206 35 O 1.2332 -0.9458 2.4999 O.3 1 UNL1 -0.3569 36 C -4.9775 -0.5470 -0.5730 C.2 1 UNL1 -0.1646 37 C -1.5408 1.8938 0.8728 C.2 1 UNL1 -0.1966 38 C -2.4914 2.1267 -0.0326 C.2 1 UNL1 -0.2105 39 C -1.7403 -1.8890 0.4137 C.2 1 UNL1 -0.1996 40 C -3.0249 -1.9767 0.7697 C.2 1 UNL1 -0.1128 41 N 0.3891 -0.0779 -2.2586 N.am 1 UNL1 -0.6058 42 C 4.4905 1.1615 -0.1148 C.ar 1 UNL1 -0.0856 43 C 5.7900 0.5695 -0.0236 C.ar 1 UNL1 0.1105 44 N 6.0304 -0.1244 -1.2092 N.ar 1 UNL1 -0.3841 45 H -0.4626 -2.1865 2.8712 H 1 UNL1 0.1541 46 H 2.2662 -1.0402 -2.1160 H 1 UNL1 0.1485 47 H 2.0728 0.2900 0.4790 H 1 UNL1 0.1998 48 H -1.4455 -0.2477 1.7458 H 1 UNL1 0.1644 49 H 3.0058 -1.8425 0.2189 H 1 UNL1 0.1642 50 H 4.8866 -0.4275 -3.0116 H 1 UNL1 0.1607 51 H 2.1548 1.9538 -1.2953 H 1 UNL1 0.1792 52 H -4.3018 -0.4989 -1.4341 H 1 UNL1 0.1733 53 H -1.6997 2.0410 1.9466 H 1 UNL1 0.1896 54 H -2.3309 2.0382 -1.1107 H 1 UNL1 0.1905 55 H -4.7178 1.8872 -1.5804 H 1 UNL1 0.1706 56 H -1.3190 -2.4588 -0.4076 H 1 UNL1 0.1528 57 H -3.4316 -1.4176 1.6136 H 1 UNL1 0.1477 58 H 2.0338 -4.1793 1.8576 H 1 UNL1 0.1580 59 H 3.2294 -3.0218 2.4746 H 1 UNL1 0.1649 60 H 1.7779 -3.3657 3.4133 H 1 UNL1 0.1612 61 H -5.8701 -1.9475 0.8188 H 1 UNL1 0.1355 62 H 0.7191 -3.6613 -0.0688 H 1 UNL1 0.1442 63 H 0.6498 -2.5423 -1.4132 H 1 UNL1 0.1474 64 H -5.9467 1.3366 1.9695 H 1 UNL1 0.1622 65 H -7.3221 0.9301 0.9206 H 1 UNL1 0.1656 66 H -6.4062 -0.3497 1.7248 H 1 UNL1 0.1501 67 H 1.6372 1.8986 -3.6856 H 1 UNL1 0.1456 68 H 3.3464 2.3018 -3.5348 H 1 UNL1 0.1577 69 H 2.8740 0.6696 -4.0163 H 1 UNL1 0.1372 70 H 3.0296 2.3931 0.9016 H 1 UNL1 0.1772 71 H -4.2558 -3.7252 0.5388 H 1 UNL1 0.1441 72 H -3.6400 -3.0743 -0.9827 H 1 UNL1 0.1528 73 H 7.5718 0.2472 1.1724 H 1 UNL1 0.1511 74 H -5.7364 -2.6047 -2.2036 H 1 UNL1 0.1493 75 H -6.5049 -3.6010 -0.9592 H 1 UNL1 0.1410 76 H -7.1534 -1.9994 -1.3438 H 1 UNL1 0.1519 77 H 2.0803 -4.5019 -1.9959 H 1 UNL1 0.1413 78 H 3.0952 -3.0574 -1.9547 H 1 UNL1 0.1416 79 H 3.1309 -4.2002 -0.6082 H 1 UNL1 0.1440 80 H 4.4426 2.6265 2.9354 H 1 UNL1 0.1554 81 H 6.6604 1.5763 3.0747 H 1 UNL1 0.1459 @BOND 1 69 19 1 2 67 19 1 3 68 19 1 4 19 8 1 5 22 41 1 6 50 11 1 7 41 6 1 8 41 31 am 9 74 20 1 10 46 6 1 11 11 25 ar 12 11 44 ar 13 77 21 1 14 78 21 1 15 8 6 1 16 8 25 1 17 8 51 1 18 26 31 2 19 6 4 1 20 55 9 1 21 23 44 1 22 52 36 1 23 63 16 1 24 25 42 ar 25 76 20 1 26 31 1 1 27 21 16 1 28 21 79 1 29 20 75 1 30 20 10 1 31 44 43 ar 32 54 38 1 33 72 29 1 34 16 62 1 35 16 7 1 36 36 10 1 37 36 32 2 38 9 30 1 39 9 32 1 40 9 34 1 41 30 24 1 42 56 39 1 43 10 29 1 44 10 61 1 45 4 1 1 46 4 7 1 47 4 47 1 48 42 43 ar 49 42 12 ar 50 38 34 1 51 38 37 2 52 43 13 ar 53 29 71 1 54 29 40 1 55 32 18 1 56 1 33 1 57 1 5 1 58 49 7 1 59 7 2 1 60 34 28 2 61 39 40 2 62 39 5 1 63 33 27 2 64 33 37 1 65 40 57 1 66 37 53 1 67 70 12 1 68 65 18 1 69 12 14 ar 70 5 48 1 71 5 3 1 72 13 73 1 73 13 15 ar 74 18 66 1 75 18 64 1 76 2 3 1 77 2 17 1 78 2 35 1 79 58 17 1 80 3 35 1 81 3 45 1 82 14 15 ar 83 14 80 1 84 15 81 1 85 17 59 1 86 17 60 1