@MOLECULE 2,3,6-trimethylbenzoic acid 24 24 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.4099 0.0244 0.0460 C.ar 1 UNL111111111 -0.1769 2 C 0.7498 -0.7601 -0.0084 C.ar 1 UNL111111111 0.2335 3 C 1.9985 -0.1238 -0.0372 C.ar 1 UNL111111111 0.1806 4 C 2.0602 1.2706 0.0139 C.ar 1 UNL111111111 -0.2656 5 C 0.9030 2.0392 0.0822 C.ar 1 UNL111111111 -0.4658 6 C -0.3482 1.4207 0.0923 C.ar 1 UNL111111111 0.4161 7 C -1.7198 -0.6479 0.0734 C.2 1 UNL111111111 0.1613 8 O -2.4268 -0.3891 -1.0619 O.3 1 UNL111111111 -0.3962 9 O -2.1920 -1.3538 0.9266 O.2 1 UNL111111111 -0.2438 10 C 0.6188 -2.2443 -0.0403 C.3 1 UNL111111111 -0.9329 11 C -1.5913 2.2382 0.1613 C.3 1 UNL111111111 -0.9860 12 C 3.2675 -0.9038 -0.1196 C.3 1 UNL111111111 -0.9464 13 H 3.0305 1.7669 0.0024 H 1 UNL111111111 0.2316 14 H 0.9745 3.1236 0.1232 H 1 UNL111111111 0.2471 15 H -3.3085 -0.8359 -1.0836 H 1 UNL111111111 0.3294 16 H 0.1490 -2.5830 -0.9769 H 1 UNL111111111 0.3005 17 H -0.0138 -2.6081 0.7895 H 1 UNL111111111 0.3128 18 H 1.5762 -2.7726 0.0459 H 1 UNL111111111 0.2769 19 H -2.1750 2.0112 1.0669 H 1 UNL111111111 0.3107 20 H -2.2470 2.0397 -0.7049 H 1 UNL111111111 0.2911 21 H -1.3927 3.3182 0.1702 H 1 UNL111111111 0.2690 22 H 4.1559 -0.2610 -0.1802 H 1 UNL111111111 0.2643 23 H 3.2852 -1.5517 -1.0087 H 1 UNL111111111 0.2822 24 H 3.4008 -1.5460 0.7642 H 1 UNL111111111 0.3066 @BOND 1 15 8 1 2 8 7 1 3 23 12 1 4 16 10 1 5 20 11 1 6 22 12 1 7 12 3 1 8 12 24 1 9 10 2 1 10 10 18 1 11 10 17 1 12 3 2 ar 13 3 4 ar 14 2 1 ar 15 13 4 1 16 4 5 ar 17 1 7 1 18 1 6 ar 19 7 9 2 20 5 6 ar 21 5 14 1 22 6 11 1 23 11 21 1 24 11 19 1