@MOLECULE (5-bromo-2-methoxyphenyl)acetic acid 22 22 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.2290 1.2734 -0.1679 C.ar 1 UNL1111111111 0.2478 2 C 0.1923 2.1023 0.2597 C.ar 1 UNL1111111111 -0.2810 3 C -1.1038 1.5911 0.3158 C.ar 1 UNL1111111111 -0.0813 4 C -1.3294 0.2736 -0.0570 C.ar 1 UNL1111111111 -0.0845 5 C -0.3006 -0.5633 -0.4812 C.ar 1 UNL1111111111 -0.0955 6 O 2.5290 1.6425 -0.2921 O.3 1 UNL1111111111 -0.3131 7 C 2.8863 2.9405 0.1648 C.3 1 UNL1111111111 -0.1988 8 BR -3.0942 -0.4172 0.0263 Br 1 UNL1111111111 -0.0570 9 C 0.9972 -0.0674 -0.5413 C.ar 1 UNL1111111111 -0.0842 10 C 2.7718 -1.5838 0.2235 C.2 1 UNL1111111111 0.6531 11 O 2.5045 -1.5047 1.3901 O.2 1 UNL1111111111 -0.4850 12 C 2.1346 -0.9317 -0.9667 C.3 1 UNL1111111111 -0.3336 13 O 3.7987 -2.3753 -0.1998 O.3 1 UNL1111111111 -0.5769 14 H 0.3767 3.1310 0.5527 H 1 UNL1111111111 0.1691 15 H -1.9194 2.2329 0.6535 H 1 UNL1111111111 0.1672 16 H -0.4974 -1.6014 -0.7570 H 1 UNL1111111111 0.1733 17 H 2.3831 3.7152 -0.4209 H 1 UNL1111111111 0.1345 18 H 2.6836 3.0460 1.2357 H 1 UNL1111111111 0.1413 19 H 3.9691 2.9577 -0.0237 H 1 UNL1111111111 0.1553 20 H 1.8131 -1.7102 -1.6976 H 1 UNL1111111111 0.1914 21 H 2.9080 -0.3420 -1.5215 H 1 UNL1111111111 0.2023 22 H 4.2697 -2.8392 0.5330 H 1 UNL1111111111 0.3556 @BOND 1 1 2 ar 2 1 6 1 3 1 9 ar 4 2 3 ar 5 2 14 1 6 3 4 ar 7 3 15 1 8 4 5 ar 9 4 8 1 10 5 9 ar 11 5 16 1 12 6 7 1 13 7 17 1 14 7 18 1 15 7 19 1 16 9 12 1 17 10 11 2 18 10 12 1 19 10 13 1 20 12 20 1 21 12 21 1 22 13 22 1