@MOLECULE 7-{(1e,3e,5e,7e)-8-[(2s,3s,3ar,4s,6ar)-3-hydroxy-2,3,5,6a-tetramethyl-3,3a,4,6a-tetrahydro-2h-cyclopenta[b]furan-4-yl]-1,3,5,7-octatetraen-1-yl}-4,6,7-trimethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione 41 45 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 3.0002 1.7975 0.1549 C.ar 1 UNL1 0.1141 2 C 4.8102 3.0982 0.7409 C.ar 1 UNL1 0.2411 3 C 3.4665 3.0624 0.7602 C.ar 1 UNL1 -0.3928 4 C 0.0683 -2.0160 2.2832 C.2 1 UNL1 -0.1813 5 C -0.2691 -0.7376 2.0728 C.2 1 UNL1 -0.1344 6 C 0.4026 0.1043 1.0891 C.2 1 UNL1 -0.1668 7 C 0.8244 1.3415 1.3723 C.2 1 UNL1 -0.1229 8 C 1.5559 2.1796 0.3986 C.3 1 UNL1 -0.3772 9 C 5.2896 1.0651 -0.2742 C.ar 1 UNL1 0.3469 10 C 3.8400 0.8444 -0.3429 C.ar 1 UNL1 -0.2308 11 C 3.6904 -0.4585 -0.9949 C.3 1 UNL1 -0.0477 12 C 5.0685 -0.8869 -1.2954 C.2 1 UNL1 -0.3797 13 O 6.0156 0.0556 -0.8103 O.3 1 UNL1 -0.1384 14 C 2.1099 3.5441 1.0516 C.3 1 UNL1 0.4022 15 C 5.6352 2.2371 0.2956 C.ar 1 UNL1 -0.2984 16 C 5.4929 -1.9717 -1.9418 C.2 1 UNL1 0.4703 17 C 2.3937 -1.1080 -1.4525 C.3 1 UNL1 0.4241 18 O 2.8436 -1.4660 -0.2908 O.3 1 UNL1 -0.3534 19 C 1.1706 -2.6908 1.6029 C.2 1 UNL1 -0.0935 20 C 1.0441 -3.5092 0.5471 C.2 1 UNL1 -0.1721 21 C -0.2062 -3.8267 -0.1237 C.3 1 UNL1 -0.1953 22 C -1.2345 -3.0155 -0.1615 C.3 1 UNL1 0.2281 23 C -4.2196 -0.5516 -0.1754 C.2 1 UNL1 -0.5350 24 C -4.4290 0.4435 -1.2203 C.2 1 UNL1 0.5895 25 C -5.6160 1.3093 -1.0763 C.2 1 UNL1 -0.8167 26 C -5.1459 -0.6228 0.9726 C.2 1 UNL1 0.4002 27 C -6.5049 1.1446 0.0585 C.2 1 UNL1 0.6266 28 O -6.1450 0.1771 1.0005 O.3 1 UNL1 -0.3721 29 C -2.2398 -2.2214 -0.2030 C.1 1 UNL1 -0.2988 30 C -5.8507 2.2346 -2.0175 C.2 1 UNL1 0.6680 31 O -7.5116 1.7631 0.2660 O.2 1 UNL1 -0.4296 32 C -3.2083 -1.4020 -0.2095 C.1 1 UNL1 0.3608 33 O -3.6965 0.5838 -2.1751 O.2 1 UNL1 -0.4905 34 H 0.9700 2.3600 -0.5206 H 1 UNL1 0.1922 35 H -0.4565 -2.6341 3.0170 H 1 UNL1 0.1664 36 H 2.1573 -2.4900 2.0396 H 1 UNL1 0.1673 37 H -1.0768 -0.2638 2.6359 H 1 UNL1 0.1629 38 H 0.5524 -0.3495 0.1076 H 1 UNL1 0.1548 39 H 0.6538 1.7992 2.3492 H 1 UNL1 0.1618 40 H 1.9241 -4.0021 0.1236 H 1 UNL1 0.1598 41 H -0.2503 -4.8012 -0.6279 H 1 UNL1 0.1902 @BOND 1 33 24 2 2 30 25 2 3 16 12 2 4 17 11 1 5 17 18 1 6 12 11 1 7 12 13 1 8 24 25 1 9 24 23 1 10 25 27 1 11 11 10 1 12 11 18 1 13 13 9 1 14 41 21 1 15 34 8 1 16 10 9 ar 17 10 1 ar 18 9 15 ar 19 32 29 3 20 32 23 1 21 29 22 1 22 23 26 2 23 22 21 1 24 21 20 1 25 27 31 2 26 27 28 1 27 38 6 1 28 40 20 1 29 1 8 1 30 1 3 ar 31 15 2 ar 32 8 14 1 33 8 7 1 34 20 19 2 35 2 3 ar 36 3 14 1 37 26 28 1 38 6 7 2 39 6 5 1 40 7 39 1 41 19 36 1 42 19 4 1 43 5 4 2 44 5 37 1 45 4 35 1