@MOLECULE (2z,4e)-2,6-dihydroxy-2,4-hexadienoic acid 18 17 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.6399 0.5724 -0.0255 O.3 1 UNL11111111 -0.5450 2 C 3.6470 -0.4454 0.0145 C.3 1 UNL11111111 -0.0152 3 C 2.3410 0.2770 -0.0089 C.2 1 UNL11111111 -0.1257 4 C 1.1643 -0.3645 0.0097 C.2 1 UNL11111111 -0.1820 5 C -0.0968 0.3475 -0.0047 C.2 1 UNL11111111 -0.1507 6 C -1.2866 -0.2861 0.0055 C.2 1 UNL11111111 0.1070 7 O -1.3062 -1.6444 0.0292 O.2 1 UNL11111111 -0.4435 8 C -2.5634 0.4544 0.0001 C.2 1 UNL11111111 0.5953 9 O -2.7338 1.6437 0.0391 O.2 1 UNL11111111 -0.4652 10 O -3.6251 -0.3984 -0.0579 O.3 1 UNL11111111 -0.5851 11 H 5.5316 0.1794 0.0139 H 1 UNL11111111 0.3118 12 H 2.4301 1.3660 -0.0413 H 1 UNL11111111 0.1749 13 H 1.1022 -1.4559 0.0393 H 1 UNL11111111 0.1686 14 H -0.0600 1.4426 -0.0215 H 1 UNL11111111 0.1813 15 H -2.2348 -1.9971 0.0206 H 1 UNL11111111 0.3440 16 H -4.5021 0.0589 -0.0369 H 1 UNL11111111 0.3712 17 H 3.7762 -1.1037 -0.8674 H 1 UNL11111111 0.1295 18 H 3.7768 -1.0385 0.9410 H 1 UNL11111111 0.1288 @BOND 1 1 2 1 2 1 11 1 3 2 3 1 4 2 17 1 5 2 18 1 6 3 4 2 7 3 12 1 8 4 5 1 9 4 13 1 10 5 6 2 11 5 14 1 12 6 8 1 13 7 6 1 14 7 15 1 15 8 9 2 16 8 10 1 17 10 16 1