@MOLECULE (2z,4e)-5-phenyl-2,4-pentadienoic acid 23 23 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.7252 -0.7500 -1.2597 O.3 1 UNL1111111111 -0.5530 2 O -3.4013 -1.3024 0.8726 O.2 1 UNL1111111111 -0.4952 3 C 1.7390 0.4600 0.1500 C.ar 1 UNL1111111111 -0.0217 4 C 1.7740 -0.9239 0.3459 C.ar 1 UNL1111111111 -0.1431 5 C 2.9108 1.1394 -0.2055 C.ar 1 UNL1111111111 -0.1517 6 C 0.5020 1.2189 0.3167 C.2 1 UNL1111111111 -0.1190 7 C 2.9669 -1.6233 0.1784 C.ar 1 UNL1111111111 -0.1438 8 C 4.0991 0.4355 -0.3772 C.ar 1 UNL1111111111 -0.1470 9 C 4.1288 -0.9458 -0.1858 C.ar 1 UNL1111111111 -0.1442 10 C -0.7092 0.7372 -0.0066 C.2 1 UNL1111111111 -0.1839 11 C -1.9232 1.5196 0.1720 C.2 1 UNL1111111111 -0.0511 12 C -3.1552 0.9951 0.1702 C.2 1 UNL1111111111 -0.2688 13 C -3.4142 -0.4449 0.0293 C.2 1 UNL1111111111 0.6468 14 H 0.8695 -1.4556 0.6405 H 1 UNL1111111111 0.1595 15 H 2.8913 2.2169 -0.3551 H 1 UNL1111111111 0.1511 16 H 0.6254 2.2270 0.7220 H 1 UNL1111111111 0.1549 17 H 2.9900 -2.7008 0.3325 H 1 UNL1111111111 0.1530 18 H 5.0075 0.9640 -0.6602 H 1 UNL1111111111 0.1503 19 H 5.0598 -1.4930 -0.3191 H 1 UNL1111111111 0.1502 20 H -0.8312 -0.2670 -0.4205 H 1 UNL1111111111 0.1669 21 H -1.7843 2.5976 0.3145 H 1 UNL1111111111 0.1564 22 H -4.0566 1.5982 0.2895 H 1 UNL1111111111 0.1830 23 H -3.9286 -1.7077 -1.4005 H 1 UNL1111111111 0.3504 @BOND 1 1 13 1 2 1 23 1 3 2 13 2 4 3 4 ar 5 3 5 ar 6 3 6 1 7 4 7 ar 8 4 14 1 9 5 8 ar 10 5 15 1 11 6 10 2 12 6 16 1 13 7 9 ar 14 7 17 1 15 8 9 ar 16 8 18 1 17 9 19 1 18 10 11 1 19 10 20 1 20 11 12 2 21 11 21 1 22 12 13 1 23 12 22 1