@MOLECULE 4-methoxy-3,6-dioxo-2-[(8z,11z)-8,11,14-pentadecatrien-1-yl]-1,4-cyclohexadien-1-olate 30 29 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -5.3150 2.7243 -0.0842 C.2 1 UNL1 0.3897 2 C -6.1957 1.8202 -0.7402 C.2 1 UNL1 -0.1434 3 C -6.1766 0.6052 -0.9080 C.2 1 UNL1 -0.1200 4 C -5.2677 -0.4366 -0.5083 C.2 1 UNL1 0.5482 5 C -4.1370 0.2928 0.1495 C.3 1 UNL1 -0.4334 6 C -4.1702 1.7405 0.4969 C.2 1 UNL1 0.3948 7 O -5.2826 3.9007 0.0676 O.2 1 UNL1 -0.2767 8 O -7.5690 -2.8771 -1.8718 O.2 1 UNL1 -0.4424 9 C -3.0136 -0.3595 0.4359 C.1 1 UNL1 0.3600 10 O -3.3382 2.2600 1.1850 O.2 1 UNL1 -0.3631 11 O -5.3696 -1.6261 -0.6010 O.2 1 UNL1 -0.3825 12 C -7.7102 -2.6891 -0.7565 C.2 1 UNL1 0.4392 13 C -1.8924 -0.8875 0.6835 C.1 1 UNL1 -0.3235 14 C -0.6847 -1.2755 0.9310 C.1 1 UNL1 0.3423 15 C 0.5405 -1.4972 1.1828 C.1 1 UNL1 -0.2879 16 C 1.8000 -1.5161 1.4476 C.1 1 UNL1 0.2828 17 C 3.0418 -1.3714 1.6979 C.1 1 UNL1 -0.2373 18 C 4.2689 -1.0763 1.9090 C.3 1 UNL1 0.1627 19 C 5.4858 -0.6453 2.1377 C.3 1 UNL1 -0.1485 20 C 6.1312 0.3207 1.2511 C.2 1 UNL1 -0.1836 21 C 6.2595 0.1651 -0.0405 C.1 1 UNL1 -0.0099 22 C 8.7751 0.1371 -1.6981 C.1 1 UNL1 0.4310 23 C 6.4077 0.0246 -1.3311 C.2 1 UNL1 -0.1188 24 C 7.6398 -0.4763 -1.9313 C.3 1 UNL1 -0.3846 25 C 9.8515 0.7885 -1.4693 C.1 1 UNL1 -0.7426 26 C 10.9213 1.4681 -1.2437 C.3 1 UNL1 0.4571 27 H 6.0505 -0.9414 3.0299 H 1 UNL1 0.1976 28 H 6.4998 1.2247 1.7554 H 1 UNL1 0.1876 29 H 5.6162 0.3013 -2.0401 H 1 UNL1 0.1898 30 H 7.5561 -1.3509 -2.5826 H 1 UNL1 0.2155 @BOND 1 30 24 1 2 29 23 1 3 24 22 1 4 24 23 1 5 8 12 2 6 22 25 3 7 25 26 1 8 23 21 2 9 3 2 2 10 3 4 1 11 2 1 1 12 11 4 2 13 4 5 1 14 1 7 2 15 1 6 1 16 21 20 2 17 5 9 1 18 5 6 1 19 9 13 3 20 6 10 2 21 13 14 1 22 14 15 3 23 15 16 1 24 20 28 1 25 20 19 1 26 16 17 3 27 17 18 1 28 18 19 1 29 19 27 1