@MOLECULE (2e)-3-[(2s,3as,3br,5as,11ar,12s,14r,15bs,15cs,17as)-12,17a-dihydroxy-14-isopropenyl-3a,9,9,11,11,15b,15c-heptamethyl-3,3a,3b,4,5,5a,6,9,11,11a,12,13,14,15b,15c,16,17,17a-octadecahydro-2h-[1]benzofuro[4',5':6,7]indeno[1,2-b]pyrano[3',4':4,5]cyclopenta[1,2-f]pyrrolo[3,2,1-hi]indol-2-yl]-2-methylacrylic acid 105 113 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -7.0337 -0.6324 0.4022 C.3 1 UNL1 -0.2519 2 C -5.9746 -1.6473 -0.1084 C.3 1 UNL1 0.1704 3 C -1.0847 -2.1482 -0.5207 C.3 1 UNL1 0.0793 4 C 0.9606 2.2621 0.4866 C.3 1 UNL1 -0.1072 5 C 1.0294 0.9453 -0.3973 C.3 1 UNL1 0.0417 6 C 3.5022 1.0803 -0.1853 C.3 1 UNL1 -0.1412 7 C 2.2712 0.1310 0.0691 C.3 1 UNL1 0.0767 8 C 4.8408 0.3638 0.0161 C.3 1 UNL1 0.0191 9 C 4.8099 -0.8645 -0.9412 C.3 1 UNL1 0.4667 10 C 6.9791 -0.1502 -1.0171 C.3 1 UNL1 0.1219 11 C -3.9269 1.4751 0.3571 C.ar 1 UNL1 -0.1136 12 C -8.1045 -0.3042 -1.9046 C.3 1 UNL1 -0.5055 13 C -9.2207 -1.7755 -0.1774 C.3 1 UNL1 -0.4807 14 C -9.1119 2.6908 -0.7935 C.3 1 UNL1 -0.4909 15 C -9.1126 2.2188 1.7025 C.3 1 UNL1 -0.4743 16 C -0.8606 -2.4462 2.0160 C.3 1 UNL1 -0.4598 17 C 1.0654 1.2585 -1.9078 C.3 1 UNL1 -0.4537 18 C 2.0761 -0.2689 1.5400 C.3 1 UNL1 -0.4681 19 C 5.1378 -0.0370 1.4606 C.3 1 UNL1 -0.4564 20 C 9.4414 1.6220 -0.7716 C.3 1 UNL1 -0.4266 21 H -5.6236 -2.5758 1.6056 H 1 UNL1 0.3176 22 H 4.8010 -0.9956 -2.9251 H 1 UNL1 0.3314 23 O 10.2563 -0.9194 1.7387 O.2 1 UNL1 -0.5115 24 C -2.6386 -2.5632 -0.6011 C.3 1 UNL1 -0.2709 25 C -0.4874 2.8091 0.3098 C.3 1 UNL1 -0.2572 26 C 3.4174 2.4109 0.5790 C.3 1 UNL1 -0.2739 27 C 2.1355 3.1779 0.1959 C.3 1 UNL1 -0.2795 28 C 2.4054 -1.1738 -0.7602 C.3 1 UNL1 -0.2905 29 C 3.7590 -1.8977 -0.6025 C.3 1 UNL1 -0.3251 30 C 6.1089 1.0545 -0.5455 C.3 1 UNL1 -0.3279 31 O -5.9335 -2.7943 0.7038 O.3 1 UNL1 -0.5504 32 O 4.5449 -0.3512 -2.2416 O.3 1 UNL1 -0.6154 33 O 11.4158 0.6919 0.7367 O.3 1 UNL1 -0.5530 34 C -0.4522 -2.8664 0.6472 C.2 1 UNL1 0.0289 35 C 9.2168 0.3578 -0.0251 C.2 1 UNL1 -0.1135 36 C 10.2870 -0.0503 0.9033 C.2 1 UNL1 0.6331 37 H 12.1455 0.4252 1.3489 H 1 UNL1 0.3520 38 C -4.9118 0.5149 0.2389 C.ar 1 UNL1 -0.0498 39 C -4.6808 -0.8811 -0.0672 C.ar 1 UNL1 -0.1062 40 C -3.4066 -1.3159 -0.2681 C.ar 1 UNL1 -0.0131 41 C -1.2446 1.5422 0.1401 C.ar 1 UNL1 -0.1491 42 C -0.3711 0.4572 -0.1627 C.ar 1 UNL1 0.0836 43 C 8.1370 -0.4306 -0.1218 C.2 1 UNL1 -0.1140 44 O -9.1243 0.5057 0.1381 O.3 1 UNL1 -0.4674 45 O 6.1425 -1.3301 -0.9803 O.3 1 UNL1 -0.4632 46 C -7.0607 1.8441 0.3423 C.2 1 UNL1 -0.2529 47 C -8.5613 1.7990 0.3295 C.3 1 UNL1 0.3290 48 C -8.3395 -0.5426 -0.4110 C.3 1 UNL1 0.3347 49 C -6.3523 0.7141 0.3683 C.2 1 UNL1 0.0093 50 C 0.3924 -3.8783 0.4337 C.2 1 UNL1 -0.3585 51 C -2.5854 1.0715 0.1619 C.ar 1 UNL1 -0.0409 52 C -2.4440 -0.3018 -0.1401 C.ar 1 UNL1 0.0051 53 N -1.1205 -0.6803 -0.3528 N.ar 1 UNL1 -0.2861 54 H -7.3022 -0.8879 1.4569 H 1 UNL1 0.1748 55 H 1.0303 1.9514 1.5611 H 1 UNL1 0.1459 56 H 3.4609 1.3471 -1.2830 H 1 UNL1 0.1688 57 H -6.6153 2.8309 0.3075 H 1 UNL1 0.1613 58 H -6.2069 -2.0668 -1.1104 H 1 UNL1 0.1554 59 H -4.1623 2.5080 0.5913 H 1 UNL1 0.1608 60 H -7.3215 0.4435 -2.0771 H 1 UNL1 0.1609 61 H -7.8130 -1.2234 -2.4206 H 1 UNL1 0.1509 62 H -9.0226 0.0661 -2.3769 H 1 UNL1 0.1599 63 H -10.0847 -1.7791 -0.8497 H 1 UNL1 0.1540 64 H -8.6512 -2.6993 -0.3294 H 1 UNL1 0.1620 65 H -9.6134 -1.7856 0.8474 H 1 UNL1 0.1605 66 H -10.1903 2.5281 -0.9111 H 1 UNL1 0.1594 67 H -8.9478 3.7506 -0.5851 H 1 UNL1 0.1469 68 H -8.6423 2.4522 -1.7535 H 1 UNL1 0.1537 69 H -8.7094 1.5754 2.4931 H 1 UNL1 0.1567 70 H -8.8586 3.2551 1.9363 H 1 UNL1 0.1476 71 H -10.2038 2.1138 1.7265 H 1 UNL1 0.1581 72 H -2.8781 -2.9275 -1.6134 H 1 UNL1 0.1632 73 H -2.8599 -3.3864 0.0980 H 1 UNL1 0.1716 74 H -0.5749 -2.3878 -1.4840 H 1 UNL1 0.1534 75 H 0.8464 -4.4485 1.2292 H 1 UNL1 0.1547 76 H 0.6958 -4.2235 -0.5410 H 1 UNL1 0.1494 77 H -1.1317 -1.3797 2.0746 H 1 UNL1 0.1733 78 H -1.7463 -3.0082 2.3514 H 1 UNL1 0.1648 79 H -0.0690 -2.6175 2.7582 H 1 UNL1 0.1596 80 H -0.8115 3.3989 1.1812 H 1 UNL1 0.1459 81 H -0.5781 3.4683 -0.5704 H 1 UNL1 0.1482 82 H 3.4414 2.2382 1.6700 H 1 UNL1 0.1393 83 H 4.3067 3.0253 0.3506 H 1 UNL1 0.1317 84 H 2.1621 3.4811 -0.8652 H 1 UNL1 0.1430 85 H 2.0585 4.1140 0.7764 H 1 UNL1 0.1352 86 H 0.3437 2.0441 -2.1635 H 1 UNL1 0.1578 87 H 2.0510 1.5992 -2.2450 H 1 UNL1 0.1566 88 H 0.8033 0.3750 -2.5007 H 1 UNL1 0.1474 89 H 1.5885 -1.8615 -0.4791 H 1 UNL1 0.1473 90 H 2.2615 -0.9435 -1.8352 H 1 UNL1 0.1579 91 H 3.8122 -2.7717 -1.2753 H 1 UNL1 0.1517 92 H 3.8975 -2.2954 0.4180 H 1 UNL1 0.1602 93 H 1.0225 -0.4953 1.7504 H 1 UNL1 0.1546 94 H 2.6411 -1.1708 1.7988 H 1 UNL1 0.1476 95 H 2.3875 0.5216 2.2300 H 1 UNL1 0.1498 96 H 7.2874 -0.0449 -2.0807 H 1 UNL1 0.1448 97 H 5.8600 1.7107 -1.3951 H 1 UNL1 0.1568 98 H 6.6199 1.6738 0.2031 H 1 UNL1 0.1549 99 H 4.4557 -0.8057 1.8367 H 1 UNL1 0.1556 100 H 6.1503 -0.4499 1.5658 H 1 UNL1 0.1560 101 H 5.0636 0.8267 2.1302 H 1 UNL1 0.1488 102 H 8.0478 -1.3599 0.4595 H 1 UNL1 0.1903 103 H 9.5489 2.4781 -0.0857 H 1 UNL1 0.1652 104 H 10.3783 1.5785 -1.3540 H 1 UNL1 0.1726 105 H 8.6332 1.8633 -1.4732 H 1 UNL1 0.1527 @BOND 1 22 32 1 2 88 17 1 3 61 12 1 4 62 12 1 5 87 17 1 6 32 9 1 7 86 17 1 8 96 10 1 9 60 12 1 10 17 5 1 11 12 48 1 12 90 28 1 13 68 14 1 14 72 24 1 15 74 3 1 16 105 20 1 17 97 30 1 18 104 20 1 19 56 6 1 20 91 29 1 21 58 2 1 22 10 45 1 23 10 30 1 24 10 43 1 25 45 9 1 26 9 29 1 27 9 8 1 28 66 14 1 29 84 27 1 30 63 13 1 31 14 67 1 32 14 47 1 33 20 103 1 34 20 35 1 35 28 29 1 36 28 89 1 37 28 7 1 38 29 92 1 39 24 3 1 40 24 40 1 41 24 73 1 42 81 25 1 43 30 8 1 44 30 98 1 45 76 50 1 46 3 53 1 47 3 34 1 48 48 13 1 49 48 44 1 50 48 1 1 51 5 42 1 52 5 7 1 53 5 4 1 54 53 42 ar 55 53 52 ar 56 64 13 1 57 40 52 ar 58 40 39 ar 59 6 8 1 60 6 7 1 61 6 26 1 62 13 65 1 63 42 41 ar 64 52 51 ar 65 43 35 2 66 43 102 1 67 2 39 1 68 2 1 1 69 2 31 1 70 39 38 ar 71 35 36 1 72 8 19 1 73 7 18 1 74 44 47 1 75 41 51 ar 76 41 25 1 77 51 11 ar 78 27 4 1 79 27 26 1 80 27 85 1 81 38 11 ar 82 38 49 1 83 57 46 1 84 25 4 1 85 25 80 1 86 47 46 1 87 47 15 1 88 46 49 2 89 83 26 1 90 11 59 1 91 49 1 1 92 1 54 1 93 50 34 2 94 50 75 1 95 4 55 1 96 26 82 1 97 34 16 1 98 31 21 1 99 33 36 1 100 33 37 1 101 36 23 2 102 19 100 1 103 19 99 1 104 19 101 1 105 18 93 1 106 18 94 1 107 18 95 1 108 15 71 1 109 15 70 1 110 15 69 1 111 16 77 1 112 16 78 1 113 16 79 1