@MOLECULE (2r,3s,3ar,4as,4bs,6ar,7s,7ds,8s,9as,14bs,14cr,16as)-2-isopropenyl-14b,14c,17,17-tetramethyl-10-methylene-3,3a,5,6,6a,7,7d,8,9,9a,10,11,14,14b,14c,15,16,16a-octadecahydro-2h,4bh-7,8-(epoxymethano)cyclobuta[5,6]benzo[1,2-e]oxireno[4',4a']chromeno[5',6':6,7]indeno[1,2-b]indole-3,4b-diol 88 97 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -4.0332 -0.6248 -0.4607 C.3 1 UNL1 0.0271 2 C -4.5875 -1.3732 0.7007 C.3 1 UNL1 -0.0339 3 C -2.6477 -0.8454 -1.0909 C.3 1 UNL1 0.2855 4 C -0.3400 0.0919 -1.5185 C.3 1 UNL1 0.0675 5 C -1.6996 0.3708 -0.8376 C.3 1 UNL1 0.0479 6 C 1.7275 -1.2742 -1.3242 C.3 1 UNL1 0.1663 7 C 4.7849 -0.5828 -0.0773 C.3 1 UNL1 -0.1132 8 C 0.2039 -1.2976 -0.9630 C.3 1 UNL1 -0.1779 9 C -4.6836 0.6813 -0.8725 C.3 1 UNL1 0.1049 10 C 5.9863 -0.7622 0.9006 C.3 1 UNL1 -0.1493 11 C 3.8148 -1.2039 0.9874 C.3 1 UNL1 -0.1872 12 C -5.8575 -0.8656 1.3587 C.3 1 UNL1 0.0878 13 C -6.0223 0.6581 1.1762 C.3 1 UNL1 0.0304 14 C 3.3600 3.4707 -0.4924 C.ar 1 UNL1 -0.2008 15 C 4.6837 3.2240 -0.1715 C.ar 1 UNL1 -0.1450 16 C -0.4073 0.1187 -3.0525 C.3 1 UNL1 -0.4554 17 C -1.4815 0.5688 0.6688 C.3 1 UNL1 -0.4741 18 C 3.8221 -3.6969 0.3893 C.3 1 UNL1 -0.4701 19 C 1.8255 -2.6430 1.5151 C.3 1 UNL1 -0.5056 20 C -5.6225 2.9790 2.0128 C.3 1 UNL1 -0.4656 21 H 0.5295 3.0448 -1.0907 H 1 UNL1 0.3107 22 H -3.4940 -1.5763 -2.7361 H 1 UNL1 0.3253 23 H -5.3723 -0.7535 3.2906 H 1 UNL1 0.3217 24 C 5.0252 -1.4284 1.9341 C.3 1 UNL1 -0.2794 25 C -2.0553 -2.2231 -0.7380 C.3 1 UNL1 -0.3267 26 C 6.6002 1.6595 0.3953 C.3 1 UNL1 -0.2915 27 C -2.3930 1.6178 -1.4230 C.3 1 UNL1 -0.2787 28 C -0.6854 -2.4365 -1.4102 C.3 1 UNL1 -0.2559 29 C -3.7409 1.8858 -0.7506 C.3 1 UNL1 -0.3190 30 O -2.9172 -0.8238 -2.4868 O.3 1 UNL1 -0.5653 31 O -5.9510 -1.2734 2.6931 O.3 1 UNL1 -0.5405 32 C -5.1797 1.5536 2.0486 C.2 1 UNL1 0.0464 33 C 6.6526 0.4955 1.3489 C.2 1 UNL1 0.0712 34 C 0.8504 0.9420 -1.1677 C.ar 1 UNL1 0.0705 35 C 5.1975 1.9104 -0.0662 C.ar 1 UNL1 -0.0308 36 O -4.8506 -1.7935 -0.6423 O.3 1 UNL1 -0.3702 37 O 2.5172 -2.2866 -0.7932 O.3 1 UNL1 -0.4510 38 O -5.8935 0.9708 -0.1933 O.3 1 UNL1 -0.3975 39 C 2.9868 -2.4083 0.5403 C.3 1 UNL1 0.3327 40 C 7.2991 0.5753 2.5145 C.2 1 UNL1 -0.3961 41 C -4.1545 1.1563 2.8047 C.2 1 UNL1 -0.3945 42 C 2.5361 2.3688 -0.7587 C.ar 1 UNL1 0.0763 43 N 1.1539 2.2805 -1.0110 N.ar 1 UNL1 -0.3572 44 C 2.0090 0.1619 -1.0476 C.ar 1 UNL1 -0.2239 45 C 4.3946 0.8202 -0.3474 C.ar 1 UNL1 -0.0017 46 C 3.0745 1.0401 -0.7498 C.ar 1 UNL1 -0.0446 47 H 6.7442 -1.4667 0.5090 H 1 UNL1 0.1502 48 H 3.1308 -0.4319 1.3976 H 1 UNL1 0.1575 49 H 4.8661 -1.1805 -1.0020 H 1 UNL1 0.1685 50 H 1.8872 -1.5178 -2.4099 H 1 UNL1 0.1524 51 H 0.1692 -1.2595 0.1562 H 1 UNL1 0.1529 52 H -5.0697 0.5855 -1.9235 H 1 UNL1 0.1688 53 H -3.9831 -2.0556 1.3013 H 1 UNL1 0.1682 54 H -6.7374 -1.3952 0.8969 H 1 UNL1 0.1802 55 H -7.1071 0.9183 1.3328 H 1 UNL1 0.1660 56 H 5.2641 -2.4686 2.1571 H 1 UNL1 0.1406 57 H 4.9442 -0.8882 2.8818 H 1 UNL1 0.1469 58 H -1.9562 -2.3242 0.3579 H 1 UNL1 0.1462 59 H -2.7579 -3.0196 -1.0523 H 1 UNL1 0.1561 60 H 7.0364 2.5687 0.8576 H 1 UNL1 0.1533 61 H 7.2464 1.4388 -0.4861 H 1 UNL1 0.1651 62 H -1.7389 2.4997 -1.3165 H 1 UNL1 0.1299 63 H -2.5519 1.4779 -2.5142 H 1 UNL1 0.1685 64 H -0.7904 -2.4693 -2.5101 H 1 UNL1 0.1515 65 H -0.2530 -3.4114 -1.1179 H 1 UNL1 0.1450 66 H -4.2267 2.7690 -1.2090 H 1 UNL1 0.1495 67 H -3.5962 2.1556 0.3126 H 1 UNL1 0.1589 68 H 2.9694 4.4809 -0.5279 H 1 UNL1 0.1527 69 H 5.3490 4.0606 0.0349 H 1 UNL1 0.1495 70 H 7.8018 1.4602 2.8635 H 1 UNL1 0.1457 71 H 7.3703 -0.2419 3.2125 H 1 UNL1 0.1481 72 H -3.7776 0.1469 2.8553 H 1 UNL1 0.1502 73 H -3.5915 1.8282 3.4347 H 1 UNL1 0.1573 74 H 0.5619 -0.1294 -3.5023 H 1 UNL1 0.1504 75 H -1.1344 -0.6004 -3.4515 H 1 UNL1 0.1805 76 H -0.6926 1.1073 -3.4249 H 1 UNL1 0.1445 77 H -0.8233 1.4254 0.8596 H 1 UNL1 0.1577 78 H -2.4230 0.7572 1.1947 H 1 UNL1 0.1574 79 H -1.0195 -0.3029 1.1455 H 1 UNL1 0.1525 80 H 4.0846 -4.1221 1.3596 H 1 UNL1 0.1447 81 H 3.2567 -4.4523 -0.1714 H 1 UNL1 0.1581 82 H 4.7423 -3.5030 -0.1726 H 1 UNL1 0.1556 83 H 1.2478 -1.7286 1.6874 H 1 UNL1 0.1517 84 H 1.1422 -3.4040 1.1217 H 1 UNL1 0.1569 85 H 2.1923 -2.9861 2.4873 H 1 UNL1 0.1498 86 H -6.5417 3.1244 2.5998 H 1 UNL1 0.1629 87 H -4.8709 3.6702 2.4145 H 1 UNL1 0.1550 88 H -5.8460 3.3023 0.9823 H 1 UNL1 0.1725 @BOND 1 74 16 1 2 75 16 1 3 76 16 1 4 16 4 1 5 22 30 1 6 63 27 1 7 64 28 1 8 30 3 1 9 50 6 1 10 52 9 1 11 4 34 1 12 4 8 1 13 4 5 1 14 27 62 1 15 27 5 1 16 27 29 1 17 28 65 1 18 28 8 1 19 28 25 1 20 6 44 1 21 6 8 1 22 6 37 1 23 66 29 1 24 34 44 ar 25 34 43 ar 26 3 5 1 27 3 25 1 28 3 1 1 29 21 43 1 30 59 25 1 31 44 46 ar 32 43 42 ar 33 49 7 1 34 8 51 1 35 9 29 1 36 9 1 1 37 9 38 1 38 5 17 1 39 37 39 1 40 42 46 ar 41 42 14 ar 42 29 67 1 43 46 45 ar 44 25 58 1 45 36 1 1 46 36 2 1 47 68 14 1 48 14 15 ar 49 61 26 1 50 1 2 1 51 45 7 1 52 45 35 ar 53 38 13 1 54 82 18 1 55 15 35 ar 56 15 69 1 57 81 18 1 58 7 10 1 59 7 11 1 60 35 26 1 61 18 39 1 62 18 80 1 63 26 60 1 64 26 33 1 65 47 10 1 66 39 11 1 67 39 19 1 68 17 77 1 69 17 79 1 70 17 78 1 71 2 53 1 72 2 12 1 73 54 12 1 74 10 33 1 75 10 24 1 76 88 20 1 77 11 48 1 78 11 24 1 79 84 19 1 80 13 55 1 81 13 12 1 82 13 32 1 83 33 40 2 84 12 31 1 85 19 83 1 86 19 85 1 87 24 56 1 88 24 57 1 89 20 32 1 90 20 87 1 91 20 86 1 92 32 41 2 93 40 70 1 94 40 71 1 95 31 23 1 96 41 72 1 97 41 73 1