@MOLECULE ()-herbaric acid 24 25 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.0326 1.5097 0.4270 O.3 1 UNL111111111 -0.4175 2 O 3.2038 1.6956 -0.3439 O.3 1 UNL111111111 -0.4101 3 O 0.4857 3.1059 0.0770 O.2 1 UNL111111111 -0.3981 4 O 2.6549 -3.0668 -0.0094 O.3 1 UNL111111111 -0.4542 5 O -4.3481 -0.3346 -1.0919 O.3 1 UNL111111111 -0.5580 6 O -3.7914 -0.8686 1.0016 O.2 1 UNL111111111 -0.5039 7 C -1.1079 0.0756 0.4805 C.3 1 UNL111111111 0.1108 8 C 0.3077 -0.4011 0.2609 C.ar 1 UNL111111111 0.1058 9 C 1.1165 0.7384 0.0684 C.ar 1 UNL111111111 -0.3678 10 C -2.0557 -0.3692 -0.6321 C.3 1 UNL111111111 -0.3792 11 C 0.2768 1.9351 0.1667 C.2 1 UNL111111111 0.6221 12 C 0.8131 -1.6769 0.2387 C.ar 1 UNL111111111 -0.3323 13 C 2.4794 0.5818 -0.1607 C.ar 1 UNL111111111 0.4317 14 C 2.2025 -1.7975 0.0061 C.ar 1 UNL111111111 0.4100 15 C 3.0459 -0.7055 -0.1954 C.ar 1 UNL111111111 -0.5056 16 C -3.4431 -0.5505 -0.1041 C.2 1 UNL111111111 0.6538 17 H -1.4900 -0.1599 1.5044 H 1 UNL111111111 0.1900 18 H -2.0489 0.3854 -1.4588 H 1 UNL111111111 0.2135 19 H -1.7152 -1.3166 -1.1060 H 1 UNL111111111 0.1924 20 H 0.2078 -2.5643 0.3964 H 1 UNL111111111 0.1941 21 H 4.1040 -0.8389 -0.3717 H 1 UNL111111111 0.1767 22 H 4.1679 1.5080 -0.4983 H 1 UNL111111111 0.3310 23 H 3.6316 -3.1302 -0.1650 H 1 UNL111111111 0.3365 24 H -5.2883 -0.4298 -0.7985 H 1 UNL111111111 0.3582 @BOND 1 1 7 1 2 1 11 1 3 2 13 1 4 2 22 1 5 3 11 2 6 4 14 1 7 4 23 1 8 5 16 1 9 5 24 1 10 6 16 2 11 7 8 1 12 7 10 1 13 7 17 1 14 8 9 ar 15 8 12 ar 16 9 11 1 17 9 13 ar 18 10 16 1 19 10 18 1 20 10 19 1 21 12 14 ar 22 12 20 1 23 13 15 ar 24 14 15 ar 25 15 21 1