@MOLECULE (2z)-2-pentenoic acid 15 14 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.6151 0.2656 0.0457 O.3 1 UNL1111111111 -0.5565 2 O -1.0271 -1.2901 -0.0283 O.2 1 UNL1111111111 -0.5323 3 C 1.6337 -0.3706 -0.0183 C.3 1 UNL1111111111 -0.2904 4 C 3.1488 -0.1985 0.0449 C.3 1 UNL1111111111 -0.4369 5 C 0.9104 0.9286 -0.0278 C.2 1 UNL1111111111 0.0169 6 C -0.4264 1.0465 -0.0238 C.2 1 UNL1111111111 -0.3512 7 C -1.3082 -0.1156 -0.0059 C.2 1 UNL1111111111 0.6601 8 H 1.3480 -0.9731 -0.9134 H 1 UNL1111111111 0.1795 9 H 1.2811 -1.0042 0.8305 H 1 UNL1111111111 0.1804 10 H 3.6559 -1.1714 0.0556 H 1 UNL1111111111 0.1496 11 H 3.4586 0.3373 0.9495 H 1 UNL1111111111 0.1448 12 H 3.5309 0.3556 -0.8201 H 1 UNL1111111111 0.1443 13 H 1.5418 1.8232 -0.0401 H 1 UNL1111111111 0.1503 14 H -0.9283 2.0158 -0.0319 H 1 UNL1111111111 0.1891 15 H -3.2423 -0.4981 0.0603 H 1 UNL1111111111 0.3526 @BOND 1 1 7 1 2 1 15 1 3 2 7 2 4 3 4 1 5 3 5 1 6 3 8 1 7 3 9 1 8 4 10 1 9 4 11 1 10 4 12 1 11 5 6 2 12 5 13 1 13 6 7 1 14 6 14 1