@MOLECULE (2z,4z)-2-hydroxy-6-oxo-2,4-nonadienoic acid 25 24 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.4155 0.9557 1.5450 O.2 1 UNL1111111111 -0.4329 2 O 2.8140 1.2301 -0.8500 O.2 1 UNL1111111111 -0.4412 3 O 4.1084 -0.8950 0.0078 O.3 1 UNL1111111111 -0.5841 4 O 2.2679 -1.9442 0.7108 O.2 1 UNL1111111111 -0.4491 5 C -3.4701 -1.1217 0.0819 C.3 1 UNL1111111111 -0.2301 6 C -2.6783 -0.0137 -0.6199 C.3 1 UNL1111111111 -0.3825 7 C -3.9824 -2.1486 -0.9243 C.3 1 UNL1111111111 -0.4432 8 C -2.1148 0.9645 0.3781 C.2 1 UNL1111111111 0.4700 9 C -1.1742 1.9686 -0.1768 C.2 1 UNL1111111111 -0.2826 10 C 0.1431 1.7654 -0.2981 C.2 1 UNL1111111111 -0.0785 11 C 0.8040 0.5351 0.0970 C.2 1 UNL1111111111 -0.1967 12 C 2.1031 0.2985 -0.1697 C.2 1 UNL1111111111 0.1425 13 C 2.7681 -0.9599 0.2386 C.2 1 UNL1111111111 0.5890 14 H -3.3246 0.5233 -1.3432 H 1 UNL1111111111 0.1665 15 H -1.8587 -0.4505 -1.2265 H 1 UNL1111111111 0.1693 16 H -4.3134 -0.6802 0.6503 H 1 UNL1111111111 0.1488 17 H -2.8353 -1.6146 0.8447 H 1 UNL1111111111 0.1490 18 H -4.5524 -2.9403 -0.4235 H 1 UNL1111111111 0.1453 19 H -4.6440 -1.6916 -1.6680 H 1 UNL1111111111 0.1410 20 H -3.1593 -2.6310 -1.4637 H 1 UNL1111111111 0.1433 21 H -1.6468 2.9073 -0.4641 H 1 UNL1111111111 0.1734 22 H 0.7933 2.5464 -0.7128 H 1 UNL1111111111 0.1709 23 H 0.2109 -0.2106 0.6388 H 1 UNL1111111111 0.1897 24 H 3.7759 0.9848 -0.9201 H 1 UNL1111111111 0.3489 25 H 4.5957 -1.7215 0.2520 H 1 UNL1111111111 0.3736 @BOND 1 1 8 2 2 2 12 1 3 2 24 1 4 3 13 1 5 3 25 1 6 4 13 2 7 5 6 1 8 5 7 1 9 5 16 1 10 5 17 1 11 6 8 1 12 6 14 1 13 6 15 1 14 7 18 1 15 7 19 1 16 7 20 1 17 8 9 1 18 9 10 2 19 9 21 1 20 10 11 1 21 10 22 1 22 11 12 2 23 11 23 1 24 12 13 1