@MOLECULE (2s,3ar,3bs,4s,4's,7as,7bs)-4',7-dimethyl-4-[(2r)-6-methyl-5-hepten-2-yl]-7b-phenyl-4'-vinyl-3a,3b,4,4',5,5',7a,7b-octahydro-3h-spiro[benzo[3,4]cyclobuta[1,2-b]furan-2,3'-furan]-2',3-dione 73 77 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.3081 1.3115 -0.9512 C.3 1 UNL1 -0.0906 2 C 1.4606 0.2467 -0.1589 C.3 1 UNL1 0.2294 3 C -0.0550 0.2821 0.1963 C.3 1 UNL1 -0.3099 4 C 1.1919 1.1648 -1.3987 C.3 1 UNL1 -0.1739 5 C -0.7059 2.7082 -0.4728 C.3 1 UNL1 -0.1166 6 C 0.6579 -1.9151 -0.6020 C.3 1 UNL1 0.0096 7 C -2.2460 2.8725 -0.3766 C.3 1 UNL1 -0.0938 8 C 0.9453 -3.2046 0.2162 C.3 1 UNL1 0.0187 9 C 2.1801 1.6355 1.7966 C.ar 1 UNL1 -0.1473 10 C 3.7374 0.0598 0.8309 C.ar 1 UNL1 -0.1354 11 C 3.1440 2.0121 2.7289 C.ar 1 UNL1 -0.1478 12 C 4.6972 0.4363 1.7665 C.ar 1 UNL1 -0.1562 13 C 4.4014 1.4119 2.7170 C.ar 1 UNL1 -0.1452 14 C -2.8605 1.8018 0.5422 C.3 1 UNL1 -0.2826 15 C -4.3996 1.8376 0.5312 C.3 1 UNL1 -0.2592 16 C 3.4527 2.2737 -1.6592 C.3 1 UNL1 -0.4592 17 C -2.5910 4.2693 0.1594 C.3 1 UNL1 -0.4549 18 C 2.2396 -3.0733 1.0102 C.3 1 UNL1 -0.4453 19 C -4.9193 -0.8872 -0.6366 C.3 1 UNL1 -0.4576 20 C -5.6490 -1.6639 1.6466 C.3 1 UNL1 -0.4601 21 C 2.4730 0.6544 0.8484 C.ar 1 UNL1 -0.0409 22 O -1.6734 -1.4927 -0.0890 O.2 1 UNL1 -0.3928 23 O 0.1912 -1.7500 -3.0149 O.2 1 UNL1 -0.4179 24 C -0.1169 3.7425 -1.4575 C.3 1 UNL1 -0.2765 25 C 1.1067 -4.2889 -0.8879 C.3 1 UNL1 -0.0616 26 C -5.1548 -0.5389 0.7943 C.2 1 UNL1 0.0708 27 C -0.5492 -1.0905 -0.1353 C.2 1 UNL1 0.4573 28 C 1.9749 2.4166 -1.5258 C.2 1 UNL1 0.0234 29 C 0.4847 -2.3902 -2.0497 C.2 1 UNL1 0.5676 30 C -0.2430 -3.5426 1.0701 C.2 1 UNL1 -0.1653 31 C -4.9255 0.6759 1.3109 C.2 1 UNL1 -0.2517 32 O 1.7908 -1.0770 -0.5869 O.3 1 UNL1 -0.3741 33 O 0.7158 -3.7301 -2.1449 O.3 1 UNL1 -0.3772 34 C 1.3659 3.6083 -1.5644 C.2 1 UNL1 -0.2087 35 C -0.2644 -3.5170 2.4011 C.2 1 UNL1 -0.2868 36 H -1.0099 0.9476 -1.7234 H 1 UNL1 0.1611 37 H -0.3366 0.6109 1.2044 H 1 UNL1 0.1897 38 H 1.2730 0.5765 -2.3437 H 1 UNL1 0.1874 39 H -0.2658 2.9013 0.5334 H 1 UNL1 0.1392 40 H -0.5754 3.6134 -2.4606 H 1 UNL1 0.1532 41 H -0.3850 4.7676 -1.1355 H 1 UNL1 0.1426 42 H -2.6798 2.7591 -1.3982 H 1 UNL1 0.1350 43 H 1.9165 4.5345 -1.6891 H 1 UNL1 0.1451 44 H 2.1499 -4.6194 -1.0214 H 1 UNL1 0.1481 45 H 0.4516 -5.1638 -0.7470 H 1 UNL1 0.1503 46 H 3.8907 3.0567 -2.2917 H 1 UNL1 0.1536 47 H 3.9431 2.3395 -0.6748 H 1 UNL1 0.1640 48 H 3.7400 1.3061 -2.0938 H 1 UNL1 0.1600 49 H -2.5430 0.7888 0.2199 H 1 UNL1 0.1597 50 H -2.4934 1.9254 1.5760 H 1 UNL1 0.1355 51 H -2.1340 4.4460 1.1385 H 1 UNL1 0.1436 52 H -2.2560 5.0625 -0.5163 H 1 UNL1 0.1390 53 H -3.6735 4.3943 0.2764 H 1 UNL1 0.1454 54 H 2.2036 -2.2147 1.6967 H 1 UNL1 0.1658 55 H 2.4414 -3.9708 1.6053 H 1 UNL1 0.1503 56 H 3.1048 -2.9023 0.3549 H 1 UNL1 0.1613 57 H 1.2049 2.1208 1.8041 H 1 UNL1 0.1572 58 H 3.9748 -0.6962 0.0811 H 1 UNL1 0.1670 59 H -1.1391 -3.8105 0.4992 H 1 UNL1 0.1660 60 H -4.7688 2.7874 0.9641 H 1 UNL1 0.1332 61 H -4.7715 1.8237 -0.5123 H 1 UNL1 0.1399 62 H 2.9137 2.7788 3.4663 H 1 UNL1 0.1515 63 H 5.6800 -0.0302 1.7525 H 1 UNL1 0.1501 64 H 5.1522 1.7060 3.4472 H 1 UNL1 0.1484 65 H 0.5740 -3.2514 3.0259 H 1 UNL1 0.1461 66 H -1.1457 -3.7613 2.9776 H 1 UNL1 0.1472 67 H -5.0940 0.8807 2.3644 H 1 UNL1 0.1408 68 H -3.8413 -1.0428 -0.8199 H 1 UNL1 0.1795 69 H -5.4305 -1.8083 -0.9397 H 1 UNL1 0.1469 70 H -5.2491 -0.0919 -1.3180 H 1 UNL1 0.1506 71 H -6.6357 -2.0110 1.3098 H 1 UNL1 0.1532 72 H -4.9625 -2.5218 1.5961 H 1 UNL1 0.1577 73 H -5.7451 -1.3867 2.7034 H 1 UNL1 0.1473 @BOND 1 23 29 2 2 40 24 1 3 38 4 1 4 46 16 1 5 33 29 1 6 33 25 1 7 48 16 1 8 29 6 1 9 36 1 1 10 43 34 1 11 16 28 1 12 16 47 1 13 34 28 2 14 34 24 1 15 28 4 1 16 24 41 1 17 24 5 1 18 4 1 1 19 4 2 1 20 42 7 1 21 70 19 1 22 44 25 1 23 1 5 1 24 1 3 1 25 69 19 1 26 25 45 1 27 25 8 1 28 68 19 1 29 19 26 1 30 6 32 1 31 6 27 1 32 6 8 1 33 32 2 1 34 52 17 1 35 61 15 1 36 5 7 1 37 5 39 1 38 7 17 1 39 7 14 1 40 2 3 1 41 2 21 1 42 27 22 2 43 27 3 1 44 58 10 1 45 17 53 1 46 17 51 1 47 3 37 1 48 8 18 1 49 8 30 1 50 49 14 1 51 56 18 1 52 59 30 1 53 15 14 1 54 15 60 1 55 15 31 1 56 14 50 1 57 26 31 2 58 26 20 1 59 10 21 ar 60 10 12 ar 61 21 9 ar 62 18 55 1 63 18 54 1 64 30 35 2 65 71 20 1 66 31 67 1 67 72 20 1 68 20 73 1 69 63 12 1 70 12 13 ar 71 9 57 1 72 9 11 ar 73 35 66 1 74 35 65 1 75 13 11 ar 76 13 64 1 77 11 62 1