@MOLECULE pentamethylbenzoic acid 30 30 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.8222 -0.0038 0.0501 C.ar 1 UNL111111111 -0.3084 2 C -0.1367 -1.2253 0.0210 C.ar 1 UNL111111111 0.1806 3 C 1.2594 -1.2141 -0.0014 C.ar 1 UNL111111111 -0.0347 4 C 1.9504 0.0137 -0.0035 C.ar 1 UNL111111111 0.1368 5 C 1.2527 1.2260 0.0221 C.ar 1 UNL111111111 -0.1320 6 C -0.1514 1.2173 0.0588 C.ar 1 UNL111111111 0.2097 7 C -2.2954 -0.0265 0.0876 C.2 1 UNL111111111 0.2406 8 O -3.0326 -0.1355 1.0327 O.2 1 UNL111111111 -0.2637 9 O -2.8111 0.0933 -1.1679 O.3 1 UNL111111111 -0.3572 10 C -0.9501 -2.4763 0.0158 C.3 1 UNL111111111 -0.5734 11 C 2.0477 -2.4827 -0.0209 C.3 1 UNL111111111 -0.6964 12 C 3.4443 -0.0269 -0.0329 C.3 1 UNL111111111 -0.6548 13 C 1.9499 2.5470 -0.0053 C.3 1 UNL111111111 -0.5609 14 C -0.9362 2.4864 0.0833 C.3 1 UNL111111111 -0.5829 15 H -3.7987 0.0789 -1.1891 H 1 UNL111111111 0.2927 16 H -1.6282 -2.5044 -0.8524 H 1 UNL111111111 0.1971 17 H -1.5732 -2.5455 0.9238 H 1 UNL111111111 0.2203 18 H -0.3506 -3.3948 -0.0247 H 1 UNL111111111 0.2014 19 H 2.7144 -2.5269 -0.8948 H 1 UNL111111111 0.2196 20 H 2.6728 -2.5744 0.8801 H 1 UNL111111111 0.2421 21 H 1.4227 -3.3852 -0.0618 H 1 UNL111111111 0.2335 22 H 3.8426 -0.5632 0.8419 H 1 UNL111111111 0.2298 23 H 3.8099 -0.5437 -0.9331 H 1 UNL111111111 0.2115 24 H 3.9140 0.9658 -0.0301 H 1 UNL111111111 0.2008 25 H 1.6278 3.1444 -0.8719 H 1 UNL111111111 0.1775 26 H 1.7351 3.1300 0.9032 H 1 UNL111111111 0.2075 27 H 3.0429 2.4676 -0.0724 H 1 UNL111111111 0.1847 28 H -0.4185 3.2978 0.6128 H 1 UNL111111111 0.1834 29 H -1.1349 2.8353 -0.9429 H 1 UNL111111111 0.1919 30 H -1.9116 2.3733 0.5821 H 1 UNL111111111 0.2029 @BOND 1 15 9 1 2 9 7 1 3 29 14 1 4 23 12 1 5 19 11 1 6 25 13 1 7 16 10 1 8 27 13 1 9 21 11 1 10 12 24 1 11 12 4 1 12 12 22 1 13 18 10 1 14 11 3 1 15 11 20 1 16 13 5 1 17 13 26 1 18 4 3 ar 19 4 5 ar 20 3 2 ar 21 10 2 1 22 10 17 1 23 2 1 ar 24 5 6 ar 25 1 6 ar 26 1 7 1 27 6 14 1 28 14 30 1 29 14 28 1 30 7 8 2