@MOLECULE (2e,4e,6e,8e)-10-({(3r,4r,5s,6r)-5-methoxy-4-[(2r,3r)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl}oxy)-10-oxo-2,4,6,8-decatetraenoic acid 67 69 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 3.9440 -2.1839 0.6821 C.3 1 UNL1 0.1823 2 C 3.7388 -1.4343 -0.6239 C.3 1 UNL1 -0.2017 3 C 4.9640 -0.6717 -1.0935 C.3 1 UNL1 0.1765 4 C 2.4840 -0.5422 -0.4516 C.3 1 UNL1 0.0832 5 C 5.2970 0.6882 -0.5611 C.3 1 UNL1 0.0114 6 C 1.2950 -1.5084 -0.2201 C.3 1 UNL1 0.0863 7 C 6.7124 1.2131 -0.5831 C.3 1 UNL1 -0.2959 8 C 6.0332 -1.5495 -1.6848 C.3 1 UNL1 -0.4678 9 C 1.9833 1.4203 0.7908 C.3 1 UNL1 -0.1999 10 C 8.5627 3.5514 -0.8683 C.3 1 UNL1 -0.4574 11 C 7.9948 4.2209 1.4987 C.3 1 UNL1 -0.4576 12 O -1.1683 -2.4549 -0.5140 O.2 1 UNL1 -0.5131 13 O -11.8643 2.4042 0.2322 O.2 1 UNL1 -0.5084 14 C 4.8671 -1.6970 1.7448 C.3 1 UNL1 -0.1398 15 C 2.7734 -3.0769 1.0450 C.3 1 UNL1 -0.2947 16 C 1.4763 -2.2641 1.0977 C.3 1 UNL1 -0.3071 17 O -12.9948 0.4985 -0.0067 O.3 1 UNL1 -0.5531 18 C -1.0625 -1.2714 -0.2983 C.2 1 UNL1 0.6066 19 C 7.7841 3.2623 0.3722 C.2 1 UNL1 0.0559 20 C -11.8371 1.2082 0.0803 C.2 1 UNL1 0.6418 21 O 2.7197 0.2121 0.7217 O.3 1 UNL1 -0.3801 22 O 0.1410 -0.6643 -0.1413 O.3 1 UNL1 -0.4321 23 H -13.8043 1.0625 0.0664 H 1 UNL1 0.3549 24 C 6.9509 2.2197 0.4925 C.2 1 UNL1 -0.2291 25 C -2.1544 -0.2967 -0.1673 C.2 1 UNL1 -0.2828 26 C -3.4230 -0.7304 -0.2364 C.2 1 UNL1 -0.0447 27 C -4.5737 0.1491 -0.1142 C.2 1 UNL1 -0.1686 28 C -5.8289 -0.3339 -0.1654 C.2 1 UNL1 -0.1291 29 C -7.0050 0.5106 -0.0484 C.2 1 UNL1 -0.1212 30 C -8.2495 -0.0009 -0.0873 C.2 1 UNL1 -0.1747 31 C -9.4344 0.8326 0.0236 C.2 1 UNL1 -0.0378 32 C -10.6757 0.3234 -0.0349 C.2 1 UNL1 -0.2820 33 O 5.2240 -2.7871 0.8840 O.3 1 UNL1 -0.3696 34 O 4.6850 0.5136 -1.8480 O.3 1 UNL1 -0.3939 35 H 3.5047 -2.1895 -1.4259 H 1 UNL1 0.1703 36 H 5.4504 -0.7898 1.6092 H 1 UNL1 0.1569 37 H 4.7115 -1.9611 2.7861 H 1 UNL1 0.1465 38 H 2.6896 -3.9025 0.3089 H 1 UNL1 0.1575 39 H 2.9515 -3.5775 2.0172 H 1 UNL1 0.1584 40 H 2.3222 0.1183 -1.3286 H 1 UNL1 0.1537 41 H 1.5071 -1.5407 1.9385 H 1 UNL1 0.1675 42 H 0.6086 -2.9246 1.2860 H 1 UNL1 0.1582 43 H 4.6337 1.1575 0.1761 H 1 UNL1 0.1711 44 H 5.6183 -2.2889 -2.3817 H 1 UNL1 0.1575 45 H 6.7759 -0.9687 -2.2470 H 1 UNL1 0.1603 46 H 6.5597 -2.1075 -0.8935 H 1 UNL1 0.1783 47 H 1.1648 -2.2019 -1.0814 H 1 UNL1 0.1455 48 H 7.4408 0.3791 -0.4628 H 1 UNL1 0.1621 49 H 6.9178 1.6372 -1.5921 H 1 UNL1 0.1679 50 H 2.3274 1.8599 1.7349 H 1 UNL1 0.1399 51 H 2.2244 2.0777 -0.0507 H 1 UNL1 0.1274 52 H 0.9074 1.2217 0.8334 H 1 UNL1 0.1360 53 H 6.4055 2.0399 1.4169 H 1 UNL1 0.1491 54 H -1.8699 0.7421 -0.0165 H 1 UNL1 0.1820 55 H 7.9019 3.6470 -1.7433 H 1 UNL1 0.1596 56 H 9.1382 4.4829 -0.8015 H 1 UNL1 0.1496 57 H 9.2782 2.7453 -1.0864 H 1 UNL1 0.1569 58 H 9.0515 4.2520 1.8004 H 1 UNL1 0.1539 59 H 7.7068 5.2414 1.2086 H 1 UNL1 0.1549 60 H 7.4119 3.9637 2.3924 H 1 UNL1 0.1509 61 H -3.6361 -1.7987 -0.3924 H 1 UNL1 0.1724 62 H -4.3698 1.2127 0.0208 H 1 UNL1 0.1614 63 H -6.0153 -1.4041 -0.3006 H 1 UNL1 0.1583 64 H -6.8304 1.5829 0.0716 H 1 UNL1 0.1577 65 H -8.4199 -1.0740 -0.2061 H 1 UNL1 0.1624 66 H -9.2742 1.9112 0.1578 H 1 UNL1 0.1711 67 H -10.8915 -0.7372 -0.1671 H 1 UNL1 0.1882 @BOND 1 44 8 1 2 45 8 1 3 34 3 1 4 34 5 1 5 55 10 1 6 8 3 1 7 8 46 1 8 49 7 1 9 35 2 1 10 40 4 1 11 3 2 1 12 3 5 1 13 57 10 1 14 47 6 1 15 10 56 1 16 10 19 1 17 2 4 1 18 2 1 1 19 7 5 1 20 7 48 1 21 7 24 1 22 5 43 1 23 12 18 2 24 4 6 1 25 4 21 1 26 61 26 1 27 63 28 1 28 18 25 1 29 18 22 1 30 26 25 2 31 26 27 1 32 6 22 1 33 6 16 1 34 65 30 1 35 25 54 1 36 67 32 1 37 28 27 2 38 28 29 1 39 27 62 1 40 30 29 2 41 30 31 1 42 51 9 1 43 29 64 1 44 32 31 2 45 32 20 1 46 17 23 1 47 17 20 1 48 31 66 1 49 20 13 2 50 38 15 1 51 19 24 2 52 19 11 1 53 24 53 1 54 1 33 1 55 1 15 1 56 1 14 1 57 21 9 1 58 9 52 1 59 9 50 1 60 33 14 1 61 15 16 1 62 15 39 1 63 16 42 1 64 16 41 1 65 59 11 1 66 11 58 1 67 11 60 1 68 36 14 1 69 14 37 1