@MOLECULE 2,3,4,6-tetramethylbenzoic acid 27 27 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.6954 0.0507 0.0468 C.ar 1 UNL111111111 -0.3335 2 C 0.2292 -1.0025 0.0165 C.ar 1 UNL111111111 0.3340 3 C 1.5975 -0.7116 -0.0059 C.ar 1 UNL111111111 -0.1005 4 C 2.0154 0.6304 0.0006 C.ar 1 UNL111111111 0.3690 5 C 1.0815 1.6651 0.0303 C.ar 1 UNL111111111 -0.6920 6 C -0.2839 1.3845 0.0519 C.ar 1 UNL111111111 0.4267 7 C -2.1343 -0.2584 0.0910 C.2 1 UNL111111111 0.1407 8 O -2.6765 -0.2020 -1.1576 O.3 1 UNL111111111 -0.3504 9 O -2.8267 -0.5326 1.0362 O.2 1 UNL111111111 -0.2331 10 C 3.4680 0.9724 -0.0234 C.3 1 UNL111111111 -0.8180 11 C -1.2859 2.4863 0.0775 C.3 1 UNL111111111 -0.7806 12 C 2.6354 -1.7837 -0.0382 C.3 1 UNL111111111 -0.8197 13 C -0.3082 -2.3943 0.0075 C.3 1 UNL111111111 -0.7162 14 H 1.4183 2.6992 0.0336 H 1 UNL111111111 0.3076 15 H -3.6435 -0.4041 -1.1744 H 1 UNL111111111 0.3086 16 H 3.9679 0.5394 -0.9026 H 1 UNL111111111 0.2415 17 H 3.9831 0.5860 0.8692 H 1 UNL111111111 0.2663 18 H 3.6496 2.0551 -0.0542 H 1 UNL111111111 0.2253 19 H -1.9485 2.4086 0.9546 H 1 UNL111111111 0.2660 20 H -1.9273 2.4570 -0.8190 H 1 UNL111111111 0.2386 21 H -0.8259 3.4829 0.1114 H 1 UNL111111111 0.2139 22 H 3.2470 -1.7173 -0.9505 H 1 UNL111111111 0.2516 23 H 2.2175 -2.7991 -0.0138 H 1 UNL111111111 0.2678 24 H 3.3158 -1.7045 0.8228 H 1 UNL111111111 0.2673 25 H -0.9380 -2.5693 -0.8798 H 1 UNL111111111 0.2367 26 H -0.9340 -2.5830 0.8968 H 1 UNL111111111 0.2552 27 H 0.4690 -3.1693 0.0004 H 1 UNL111111111 0.2273 @BOND 1 15 8 1 2 8 7 1 3 22 12 1 4 16 10 1 5 25 13 1 6 20 11 1 7 18 10 1 8 12 23 1 9 12 3 1 10 12 24 1 11 10 4 1 12 10 17 1 13 3 4 ar 14 3 2 ar 15 27 13 1 16 4 5 ar 17 13 2 1 18 13 26 1 19 2 1 ar 20 5 14 1 21 5 6 ar 22 1 6 ar 23 1 7 1 24 6 11 1 25 11 21 1 26 11 19 1 27 7 9 2