@MOLECULE (5as,7as,8ar,13as,15as,16ar)-8a,16a-bis(2-methyl-3-buten-2-yl)-5a,8,8a,13,13a,15a,16,16a-octahydroindolo[3''',2''':4'',5'']pyrrolo[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-7,15(5h,7ah)-dione 74 80 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 2.5069 -0.0619 -1.2282 C.3 1 UNL1 0.2450 2 C -2.5017 -0.0618 1.2217 C.3 1 UNL1 0.2456 3 C 3.3192 0.4074 0.0606 C.3 1 UNL1 0.0039 4 C -3.3196 0.4080 -0.0630 C.3 1 UNL1 0.0042 5 CA -1.2567 -0.7610 -0.7521 C.3 1 UNL1 0.0077 6 CA 1.2587 -0.7712 0.7385 C.3 1 UNL1 0.0070 7 C -5.4549 -0.7423 -1.0364 C.ar 1 UNL1 -0.0920 8 C 5.4564 -0.7368 1.0378 C.ar 1 UNL1 -0.0922 9 C -5.2428 -2.5386 1.1437 C.ar 1 UNL1 -0.2640 10 C 5.2545 -2.5315 -1.1448 C.ar 1 UNL1 -0.2638 11 C 6.3757 -1.7817 0.8778 C.ar 1 UNL1 -0.2251 12 C -6.3706 -1.7903 -0.8761 C.ar 1 UNL1 -0.2252 13 C 6.2727 -2.6611 -0.1964 C.ar 1 UNL1 -0.0809 14 C -6.2619 -2.6709 0.1966 C.ar 1 UNL1 -0.0808 15 C -4.8023 1.9712 1.2442 C.3 1 UNL1 -0.4629 16 C 4.8101 1.9790 -1.2275 C.3 1 UNL1 -0.4629 17 C 2.6250 2.8253 -0.3737 C.3 1 UNL1 -0.4635 18 C -2.6322 2.8292 0.3633 C.3 1 UNL1 -0.4633 19 H 2.8287 -1.8298 -2.3830 H 1 UNL1 0.3104 20 H -2.8180 -1.8284 2.3797 H 1 UNL1 0.3105 21 O -0.1000 -0.0943 2.5907 O.2 1 UNL1 -0.5016 22 O 0.1028 -0.0581 -2.5944 O.2 1 UNL1 -0.5012 23 C 2.3653 0.1754 1.2491 C.3 1 UNL1 -0.3033 24 C -2.3679 0.1844 -1.2551 C.3 1 UNL1 -0.3030 25 C 0.0623 -0.4151 -1.4367 C.2 1 UNL1 0.5471 26 C -0.0597 -0.4331 1.4275 C.2 1 UNL1 0.5472 27 C 4.4475 -0.5884 0.1095 C.ar 1 UNL1 -0.1381 28 C -4.4446 -0.5919 -0.1102 C.ar 1 UNL1 -0.1382 29 C 4.3516 -1.4868 -0.9834 C.ar 1 UNL1 0.2022 30 C -4.3438 -1.4906 0.9820 C.ar 1 UNL1 0.2023 31 C 4.3974 2.3131 1.2453 C.2 1 UNL1 -0.1378 32 C -4.4230 2.3088 -1.2326 C.2 1 UNL1 -0.1379 33 C 3.8040 1.8767 -0.0725 C.3 1 UNL1 0.0844 34 C -3.8101 1.8747 0.0769 C.3 1 UNL1 0.0844 35 C 5.6864 2.5572 1.4746 C.2 1 UNL1 -0.3237 36 C -5.7151 2.5545 -1.4419 C.2 1 UNL1 -0.3236 37 N 3.3209 -1.1175 -1.8656 N.pl3 1 UNL1 -0.5361 38 N -3.3127 -1.1179 1.8622 N.pl3 1 UNL1 -0.5359 39 N 1.2286 -0.6023 -0.7208 N.am 1 UNL1 -0.5540 40 N -1.2258 -0.6012 0.7078 N.am 1 UNL1 -0.5545 41 HA 1.5154 -1.8434 0.9675 H 1 UNL1 0.1794 42 H 2.3198 0.7394 -1.9891 H 1 UNL1 0.1787 43 H -2.3107 0.7394 1.9817 H 1 UNL1 0.1783 44 HA -1.5091 -1.8327 -0.9884 H 1 UNL1 0.1792 45 H 2.8934 -0.2625 2.1158 H 1 UNL1 0.1737 46 H 1.9328 1.1229 1.6231 H 1 UNL1 0.1713 47 H -2.8973 -0.2512 -2.1221 H 1 UNL1 0.1734 48 H -1.9392 1.1347 -1.6264 H 1 UNL1 0.1716 49 H 3.6595 2.4334 2.0419 H 1 UNL1 0.1438 50 H -3.6973 2.4267 -2.0406 H 1 UNL1 0.1438 51 H 6.0638 2.8787 2.4333 H 1 UNL1 0.1420 52 H 6.4681 2.4605 0.7376 H 1 UNL1 0.1503 53 H -6.4858 2.4590 -0.6932 H 1 UNL1 0.1504 54 H -6.1069 2.8764 -2.3946 H 1 UNL1 0.1419 55 H -5.5446 -0.0584 -1.8795 H 1 UNL1 0.1586 56 H 5.5420 -0.0539 1.8821 H 1 UNL1 0.1587 57 H -5.1641 -3.2248 1.9788 H 1 UNL1 0.1633 58 H 5.1794 -3.2169 -1.9808 H 1 UNL1 0.1633 59 H -4.3484 1.6640 2.1938 H 1 UNL1 0.1563 60 H -5.1714 2.9945 1.3689 H 1 UNL1 0.1506 61 H -5.6714 1.3180 1.0908 H 1 UNL1 0.1602 62 H 4.3688 1.6703 -2.1825 H 1 UNL1 0.1563 63 H 5.1760 3.0040 -1.3469 H 1 UNL1 0.1506 64 H 5.6799 1.3293 -1.0644 H 1 UNL1 0.1601 65 H 1.8072 2.7150 0.3448 H 1 UNL1 0.1472 66 H 2.9566 3.8705 -0.3356 H 1 UNL1 0.1552 67 H 2.2111 2.6614 -1.3746 H 1 UNL1 0.1519 68 H -1.8282 2.7317 -0.3726 H 1 UNL1 0.1473 69 H -2.9716 3.8723 0.3412 H 1 UNL1 0.1552 70 H -2.1968 2.6590 1.3539 H 1 UNL1 0.1516 71 H 7.1752 -1.9038 1.6032 H 1 UNL1 0.1526 72 H -7.1714 -1.9140 -1.5997 H 1 UNL1 0.1527 73 H 6.9968 -3.4686 -0.3026 H 1 UNL1 0.1470 74 H -6.9824 -3.4818 0.3028 H 1 UNL1 0.1470 @BOND 1 22 25 2 2 54 36 1 3 19 37 1 4 62 16 1 5 47 24 1 6 50 32 1 7 42 1 1 8 58 10 1 9 55 7 1 10 37 1 1 11 37 29 1 12 48 24 1 13 72 12 1 14 36 32 2 15 36 53 1 16 25 5 1 17 25 39 am 18 67 17 1 19 63 16 1 20 24 5 1 21 24 4 1 22 32 34 1 23 1 39 1 24 1 3 1 25 16 64 1 26 16 33 1 27 10 29 ar 28 10 13 ar 29 7 12 ar 30 7 28 ar 31 44 5 1 32 29 27 ar 33 12 14 ar 34 5 40 1 35 39 6 1 36 17 66 1 37 17 33 1 38 17 65 1 39 68 18 1 40 73 13 1 41 13 11 ar 42 28 4 1 43 28 30 ar 44 33 3 1 45 33 31 1 46 4 34 1 47 4 2 1 48 3 27 1 49 3 23 1 50 34 18 1 51 34 15 1 52 27 8 ar 53 14 74 1 54 14 9 ar 55 69 18 1 56 18 70 1 57 40 2 1 58 40 26 am 59 52 35 1 60 6 41 1 61 6 23 1 62 6 26 1 63 11 8 ar 64 11 71 1 65 30 9 ar 66 30 38 1 67 8 56 1 68 61 15 1 69 9 57 1 70 2 38 1 71 2 43 1 72 15 60 1 73 15 59 1 74 31 35 2 75 31 49 1 76 23 46 1 77 23 45 1 78 26 21 2 79 35 51 1 80 38 20 1