@MOLECULE 2,3,5-trimethylbenzoic acid 24 24 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.6082 0.2010 0.0212 C.ar 1 UNL111111111 0.1034 2 C 0.0100 -1.0569 -0.0125 C.ar 1 UNL111111111 -0.0601 3 C 1.4147 -1.1140 -0.0367 C.ar 1 UNL111111111 0.2873 4 C 2.1604 0.0626 -0.0041 C.ar 1 UNL111111111 -0.5098 5 C 1.5358 1.3121 0.0471 C.ar 1 UNL111111111 0.3166 6 C 0.1463 1.3775 0.0545 C.ar 1 UNL111111111 -0.4571 7 C -2.0740 0.3036 0.0261 C.2 1 UNL111111111 0.3386 8 O -2.4863 1.5628 -0.2992 O.3 1 UNL111111111 -0.5113 9 O -2.9022 -0.5398 0.2651 O.2 1 UNL111111111 -0.3476 10 C -0.8201 -2.2915 -0.0123 C.3 1 UNL111111111 -0.6140 11 C 2.3565 2.5557 0.0866 C.3 1 UNL111111111 -0.8264 12 C 2.1368 -2.4187 -0.0983 C.3 1 UNL111111111 -0.7887 13 H 3.2489 0.0139 -0.0168 H 1 UNL111111111 0.2853 14 H -0.3579 2.3463 0.0864 H 1 UNL111111111 0.3059 15 H -3.4705 1.6566 -0.3007 H 1 UNL111111111 0.3516 16 H -1.5397 -2.2992 -0.8481 H 1 UNL111111111 0.2233 17 H -1.4350 -2.3519 0.9047 H 1 UNL111111111 0.2467 18 H -0.2437 -3.2207 -0.0743 H 1 UNL111111111 0.1966 19 H 3.1060 2.5207 0.8906 H 1 UNL111111111 0.2551 20 H 1.7494 3.4567 0.2524 H 1 UNL111111111 0.2317 21 H 2.8996 2.7055 -0.8586 H 1 UNL111111111 0.2322 22 H 3.2269 -2.2955 -0.1442 H 1 UNL111111111 0.2224 23 H 1.8476 -2.9976 -0.9887 H 1 UNL111111111 0.2470 24 H 1.9260 -3.0390 0.7856 H 1 UNL111111111 0.2713 @BOND 1 23 12 1 2 21 11 1 3 16 10 1 4 15 8 1 5 8 7 1 6 22 12 1 7 12 3 1 8 12 24 1 9 18 10 1 10 3 2 ar 11 3 4 ar 12 13 4 1 13 2 10 1 14 2 1 ar 15 10 17 1 16 4 5 ar 17 1 7 1 18 1 6 ar 19 7 9 2 20 5 6 ar 21 5 11 1 22 6 14 1 23 11 20 1 24 11 19 1