@MOLECULE (e,e)-piperic acid 26 27 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.4897 -1.8070 0.1648 O.3 1 UNL1111111111 -0.3369 2 O 4.9249 0.0367 -0.1522 O.3 1 UNL1111111111 -0.3353 3 O -6.0336 -1.3249 -0.2571 O.3 1 UNL1111111111 -0.5545 4 O -5.7446 0.8287 0.2390 O.2 1 UNL1111111111 -0.5165 5 C 2.7602 -0.6467 0.0954 C.ar 1 UNL1111111111 0.1251 6 C 3.6225 0.4597 -0.0961 C.ar 1 UNL1111111111 0.1389 7 C 0.8882 0.8043 0.0836 C.ar 1 UNL1111111111 -0.0306 8 C 1.3998 -0.5102 0.1927 C.ar 1 UNL1111111111 -0.1866 9 C 3.1415 1.7432 -0.1921 C.ar 1 UNL1111111111 -0.1914 10 C 1.7461 1.8924 -0.0965 C.ar 1 UNL1111111111 -0.1428 11 C 4.8669 -1.4010 0.0059 C.3 1 UNL1111111111 0.1569 12 C -0.5503 1.0335 0.1729 C.2 1 UNL1111111111 -0.0921 13 C -1.4760 0.0815 -0.0401 C.2 1 UNL1111111111 -0.1964 14 C -2.8968 0.3564 0.0659 C.2 1 UNL1111111111 -0.0230 15 C -3.8319 -0.5864 -0.1381 C.2 1 UNL1111111111 -0.2975 16 C -5.2473 -0.2390 -0.0237 C.2 1 UNL1111111111 0.6438 17 H 0.7467 -1.3620 0.3588 H 1 UNL1111111111 0.1790 18 H 3.7958 2.5976 -0.3332 H 1 UNL1111111111 0.1776 19 H 1.3311 2.8986 -0.1721 H 1 UNL1111111111 0.1623 20 H 5.2490 -1.8565 -0.9184 H 1 UNL1111111111 0.1442 21 H 5.4029 -1.6572 0.9317 H 1 UNL1111111111 0.1446 22 H -0.8470 2.0578 0.4255 H 1 UNL1111111111 0.1570 23 H -1.2006 -0.9399 -0.3146 H 1 UNL1111111111 0.1649 24 H -3.1854 1.3873 0.3228 H 1 UNL1111111111 0.1675 25 H -3.6054 -1.6221 -0.3888 H 1 UNL1111111111 0.1884 26 H -7.0005 -1.1286 -0.1779 H 1 UNL1111111111 0.3535 @BOND 1 1 5 1 2 1 11 1 3 2 6 1 4 2 11 1 5 3 16 1 6 3 26 1 7 4 16 2 8 5 6 ar 9 5 8 ar 10 6 9 ar 11 7 8 ar 12 7 10 ar 13 7 12 1 14 8 17 1 15 9 10 ar 16 9 18 1 17 10 19 1 18 11 20 1 19 11 21 1 20 12 13 2 21 12 22 1 22 13 14 1 23 13 23 1 24 14 15 2 25 14 24 1 26 15 16 1 27 15 25 1