@MOLECULE methyl vanillate 23 23 0 0 0 SMALL GASTEIGER @ATOM 1 C 0.8200 0.4312 -0.0059 C.ar 1 UNL1111111111 -0.1738 2 C 0.3021 1.7255 0.0734 C.ar 1 UNL1111111111 -0.0489 3 C -0.0276 -0.6752 -0.1062 C.ar 1 UNL1111111111 -0.1072 4 C -1.0750 1.9282 0.0535 C.ar 1 UNL1111111111 -0.2936 5 C -1.4070 -0.4819 -0.1334 C.ar 1 UNL1111111111 0.1040 6 O -2.1445 -1.6079 -0.3474 O.3 1 UNL1111111111 -0.2975 7 C -1.9239 0.8269 -0.0529 C.ar 1 UNL1111111111 0.2329 8 C 2.2835 0.2785 0.0191 C.2 1 UNL1111111111 0.6077 9 C -3.3254 -1.7237 0.4415 C.3 1 UNL1111111111 -0.1993 10 O 3.1028 1.1640 0.0326 O.2 1 UNL1111111111 -0.5080 11 O 2.6401 -1.0338 0.0353 O.3 1 UNL1111111111 -0.4016 12 O -3.2736 0.9543 -0.0738 O.3 1 UNL1111111111 -0.4607 13 C 4.0399 -1.2954 0.0187 C.3 1 UNL1111111111 -0.1693 14 H 0.9842 2.5780 0.1498 H 1 UNL1111111111 0.1782 15 H 0.3736 -1.6906 -0.1692 H 1 UNL1111111111 0.1902 16 H -1.4798 2.9343 0.1140 H 1 UNL1111111111 0.1669 17 H -4.1123 -1.0714 0.0466 H 1 UNL1111111111 0.1466 18 H -3.1295 -1.5096 1.4944 H 1 UNL1111111111 0.1315 19 H -3.5946 -2.7783 0.3008 H 1 UNL1111111111 0.1467 20 H -3.5564 1.9020 -0.0404 H 1 UNL1111111111 0.3291 21 H 4.4475 -1.0385 -0.9644 H 1 UNL1111111111 0.1380 22 H 4.0904 -2.3740 0.2056 H 1 UNL1111111111 0.1451 23 H 4.5543 -0.7301 0.8032 H 1 UNL1111111111 0.1431 @BOND 1 1 2 ar 2 1 3 ar 3 1 8 1 4 2 4 ar 5 2 14 1 6 3 5 ar 7 3 15 1 8 4 7 ar 9 4 16 1 10 5 6 1 11 5 7 ar 12 6 9 1 13 7 12 1 14 8 10 2 15 8 11 1 16 9 17 1 17 9 18 1 18 9 19 1 19 11 13 1 20 12 20 1 21 13 21 1 22 13 22 1 23 13 23 1