@MOLECULE 6-hydroxy-2-oxo-6-phenyl-3,5-hexadienoic acid 19 18 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.7257 -2.1469 -1.4406 O.2 1 UNL1 -0.4322 2 O -3.7852 0.2081 1.7945 O.2 1 UNL1 -0.2136 3 O -1.8240 1.9752 -0.1789 O.2 1 UNL1 -0.3519 4 O -0.2475 2.5532 -1.8028 O.2 1 UNL1 -0.3075 5 C 1.7209 -0.6238 0.0267 C.ar 1 UNL1 -0.1351 6 C 0.5593 -1.3367 -0.5569 C.2 1 UNL1 0.4973 7 C 3.0475 -1.0249 -0.1183 C.ar 1 UNL1 0.0697 8 C 1.6588 0.5449 0.7839 C.ar 1 UNL1 0.0100 9 C 4.0927 -0.3901 0.3917 C.ar 1 UNL1 -0.0561 10 C 2.7048 1.1775 1.2870 C.ar 1 UNL1 -0.0514 11 C -0.7548 -0.9997 -0.0146 C.2 1 UNL1 -0.4226 12 C 3.9469 0.7266 1.1051 C.ar 1 UNL1 0.0535 13 C -1.8637 -1.5831 -0.5187 C.2 1 UNL1 0.1043 14 C -3.1981 -1.3308 -0.0615 C.2 1 UNL1 -0.5350 15 C -3.4947 -0.4970 0.9285 C.1 1 UNL1 0.5520 16 C -1.0335 2.2615 -0.9916 C.1 1 UNL1 0.6594 17 H -0.7841 -0.2827 0.7992 H 1 UNL1 0.1723 18 H -1.7738 -2.3102 -1.3427 H 1 UNL1 0.1712 19 H -4.0108 -1.8629 -0.5641 H 1 UNL1 0.2156 @BOND 1 4 16 2 2 1 6 2 3 18 13 1 4 16 3 2 5 19 14 1 6 6 11 1 7 6 5 1 8 13 14 1 9 13 11 2 10 7 5 ar 11 7 9 ar 12 14 15 2 13 11 17 1 14 5 8 ar 15 9 12 ar 16 8 10 ar 17 15 2 2 18 12 10 ar