@MOLECULE (2e,4e)-2,4-hexadienoate 15 14 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 3.1655 0.7784 -0.0015 O.co2 1 UNL1 -0.2793 2 O 2.3184 -1.2530 0.0016 O.co2 1 UNL1 -0.2097 3 C -1.6416 0.3576 -0.0005 C.2 1 UNL1 -0.2400 4 C -2.7406 -0.4148 -0.0012 C.2 1 UNL1 -0.0512 5 C -0.2967 -0.1885 -0.0028 C.2 1 UNL1 -0.0230 6 C -4.1200 0.1384 0.0013 C.3 1 UNL1 -0.4616 7 C 0.7977 0.5951 0.0024 C.2 1 UNL1 -0.3186 8 C 2.1550 0.0448 0.0004 C.2 1 UNL1 0.4500 9 H -1.7201 1.4463 0.0007 H 1 UNL1 0.1619 10 H -2.6802 -1.5046 -0.0027 H 1 UNL1 0.1445 11 H -0.2054 -1.2813 -0.0048 H 1 UNL1 0.1594 12 H -4.1472 1.2372 0.0022 H 1 UNL1 0.1585 13 H -4.6870 -0.1963 -0.8819 H 1 UNL1 0.1641 14 H -4.6829 -0.1976 0.8860 H 1 UNL1 0.1641 15 H 0.7395 1.6841 0.0050 H 1 UNL1 0.1808 @BOND 1 13 6 1 2 11 5 1 3 5 3 1 4 5 7 2 5 10 4 1 6 1 8 ar 7 4 3 2 8 4 6 1 9 3 9 1 10 8 2 ar 11 8 7 1 12 6 12 1 13 6 14 1 14 7 15 1