@MOLECULE methylphthalic acid 21 21 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.3349 1.9837 1.1361 O.3 1 UNL1111111111 -0.5389 2 O 2.8591 -1.1148 0.2173 O.3 1 UNL1111111111 -0.5500 3 O -0.6329 2.4261 -0.8313 O.2 1 UNL1111111111 -0.4788 4 O 2.2809 0.9239 -0.4719 O.2 1 UNL1111111111 -0.4808 5 C -1.8259 -0.3372 0.0283 C.ar 1 UNL1111111111 0.0780 6 C -0.5180 0.1535 -0.0137 C.ar 1 UNL1111111111 -0.1042 7 C 0.5679 -0.7254 -0.0656 C.ar 1 UNL1111111111 -0.0797 8 C -2.0298 -1.7226 0.0198 C.ar 1 UNL1111111111 -0.1557 9 C 0.3552 -2.1020 -0.0706 C.ar 1 UNL1111111111 -0.1085 10 C -2.9848 0.5936 0.0799 C.3 1 UNL1111111111 -0.4683 11 C -0.9488 -2.5962 -0.0265 C.ar 1 UNL1111111111 -0.1307 12 C -0.2931 1.6184 -0.0092 C.2 1 UNL1111111111 0.6500 13 C 1.9379 -0.1802 -0.1373 C.2 1 UNL1111111111 0.6366 14 H -3.0449 -2.1177 0.0515 H 1 UNL1111111111 0.1599 15 H 1.2037 -2.7896 -0.1054 H 1 UNL1111111111 0.1786 16 H -2.9498 1.3282 -0.7460 H 1 UNL1111111111 0.1874 17 H -3.9532 0.0818 0.0068 H 1 UNL1111111111 0.1593 18 H -2.9984 1.1730 1.0170 H 1 UNL1111111111 0.1719 19 H -1.1185 -3.6729 -0.0284 H 1 UNL1111111111 0.1576 20 H 0.6064 2.9376 1.1450 H 1 UNL1111111111 0.3580 21 H 3.7885 -0.7720 0.1856 H 1 UNL1111111111 0.3584 @BOND 1 1 12 1 2 1 20 1 3 2 13 1 4 2 21 1 5 3 12 2 6 4 13 2 7 5 6 ar 8 5 8 ar 9 5 10 1 10 6 7 ar 11 6 12 1 12 7 9 ar 13 7 13 1 14 8 11 ar 15 8 14 1 16 9 11 ar 17 9 15 1 18 10 16 1 19 10 17 1 20 10 18 1 21 11 19 1