@MOLECULE (2e,4e,6e)-7-[(9ar,12ar,12bs)-5-methyl-3,10-dioxo-6,7,8,9,9a,10,11,12,12a,12b-decahydro-3h,5h-furo[2,3,4-mn][3]benzoxecin-2-yl]-2,4,6-heptatrienoic acid 54 56 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.0579 1.7314 -0.1625 O.2 1 UNL111111111 -0.3448 2 O 2.8434 -1.7173 -0.1888 O.3 1 UNL111111111 -0.4240 3 O 4.7760 2.6511 1.2671 O.2 1 UNL111111111 -0.4538 4 O 0.7895 -2.5031 -0.6837 O.2 1 UNL111111111 -0.5443 5 O -9.7042 0.5541 0.4924 O.3 1 UNL111111111 -0.5545 6 O -8.8702 -1.4425 -0.0399 O.2 1 UNL111111111 -0.5081 7 C 2.1655 0.9743 -0.5244 C.3 1 UNL111111111 -0.1130 8 C 3.5288 0.9551 0.1557 C.3 1 UNL111111111 -0.2090 9 C 1.3173 2.0929 0.1458 C.3 1 UNL111111111 0.0841 10 C 1.7249 3.4466 -0.3895 C.3 1 UNL111111111 -0.2909 11 C 4.6129 0.3305 -0.7417 C.3 1 UNL111111111 -0.2543 12 C 1.1885 -0.1656 -0.4272 C.2 1 UNL111111111 -0.3422 13 C 3.2645 3.5251 -0.3334 C.3 1 UNL111111111 -0.3785 14 C 3.9269 2.3988 0.4518 C.2 1 UNL111111111 0.4640 15 C 5.7494 -0.3060 0.0689 C.3 1 UNL111111111 -0.2698 16 C -0.0630 0.3636 -0.3191 C.2 1 UNL111111111 0.3224 17 C 5.3439 -1.6044 0.7845 C.3 1 UNL111111111 -0.2473 18 C 1.5296 -1.5706 -0.4666 C.2 1 UNL111111111 0.6440 19 C 4.9304 -2.7327 -0.1769 C.3 1 UNL111111111 -0.3046 20 C 3.4186 -3.0280 -0.1362 C.3 1 UNL111111111 0.1607 21 C -1.3646 -0.2582 -0.3446 C.2 1 UNL111111111 -0.2063 22 C 2.9721 -3.7212 1.1445 C.3 1 UNL111111111 -0.4955 23 C -2.5076 0.4258 -0.1639 C.2 1 UNL111111111 -0.0896 24 C -3.8076 -0.2235 -0.1952 C.2 1 UNL111111111 -0.1206 25 C -4.9514 0.4495 0.0286 C.2 1 UNL111111111 -0.1700 26 C -6.2459 -0.2113 -0.0009 C.2 1 UNL111111111 -0.0369 27 C -7.3929 0.4409 0.2485 C.2 1 UNL111111111 -0.2846 28 C -8.6673 -0.2794 0.2052 C.2 1 UNL111111111 0.6416 29 H 2.3134 1.1950 -1.6153 H 1 UNL111111111 0.1619 30 H 3.4703 0.3805 1.1143 H 1 UNL111111111 0.1880 31 H 1.3663 2.0540 1.2581 H 1 UNL111111111 0.1468 32 H 1.2683 4.2632 0.2014 H 1 UNL111111111 0.1553 33 H 1.3578 3.5959 -1.4231 H 1 UNL111111111 0.1609 34 H 5.0280 1.0914 -1.4292 H 1 UNL111111111 0.1282 35 H 4.1535 -0.4387 -1.3973 H 1 UNL111111111 0.1651 36 H 3.5762 4.4973 0.1020 H 1 UNL111111111 0.1742 37 H 3.6861 3.5150 -1.3597 H 1 UNL111111111 0.1681 38 H 6.1147 0.4252 0.8210 H 1 UNL111111111 0.1530 39 H 6.6093 -0.5038 -0.5985 H 1 UNL111111111 0.1328 40 H 6.1905 -1.9448 1.4110 H 1 UNL111111111 0.1286 41 H 4.5220 -1.3897 1.4965 H 1 UNL111111111 0.1507 42 H 5.2244 -2.4738 -1.2116 H 1 UNL111111111 0.1476 43 H 5.4789 -3.6609 0.0679 H 1 UNL111111111 0.1423 44 H 3.0876 -3.5922 -1.0360 H 1 UNL111111111 0.1304 45 H -1.3456 -1.3443 -0.5259 H 1 UNL111111111 0.2032 46 H 3.2076 -3.1232 2.0325 H 1 UNL111111111 0.1583 47 H 3.4505 -4.6989 1.2602 H 1 UNL111111111 0.1527 48 H 1.8838 -3.8830 1.1389 H 1 UNL111111111 0.1718 49 H -2.4987 1.5062 0.0159 H 1 UNL111111111 0.1652 50 H -3.8095 -1.2972 -0.4090 H 1 UNL111111111 0.1652 51 H -4.9531 1.5205 0.2432 H 1 UNL111111111 0.1611 52 H -6.2507 -1.2847 -0.2385 H 1 UNL111111111 0.1724 53 H -7.4485 1.5024 0.4900 H 1 UNL111111111 0.1875 54 H -10.5842 0.1030 0.4734 H 1 UNL111111111 0.3547 @BOND 1 1 9 1 2 1 16 1 3 2 18 1 4 2 20 1 5 3 14 2 6 4 18 2 7 5 28 1 8 5 54 1 9 6 28 2 10 7 8 1 11 7 9 1 12 7 12 1 13 7 29 1 14 8 11 1 15 8 14 1 16 8 30 1 17 9 10 1 18 9 31 1 19 10 13 1 20 10 32 1 21 10 33 1 22 11 15 1 23 11 34 1 24 11 35 1 25 12 16 2 26 12 18 1 27 13 14 1 28 13 36 1 29 13 37 1 30 15 17 1 31 15 38 1 32 15 39 1 33 16 21 1 34 17 19 1 35 17 40 1 36 17 41 1 37 19 20 1 38 19 42 1 39 19 43 1 40 20 22 1 41 20 44 1 42 21 23 2 43 21 45 1 44 22 46 1 45 22 47 1 46 22 48 1 47 23 24 1 48 23 49 1 49 24 25 2 50 24 50 1 51 25 26 1 52 25 51 1 53 26 27 2 54 26 52 1 55 27 28 1 56 27 53 1