@MOLECULE methyl 2-amino-5-bromobenzoate 20 20 0 0 0 SMALL GASTEIGER @ATOM 1 BR -2.7866 0.5451 0.0211 Br 1 UNL1111111111 -0.0569 2 O 2.2970 1.7872 -0.1356 O.3 1 UNL1111111111 -0.3955 3 O 3.6435 0.0349 0.2409 O.2 1 UNL1111111111 -0.5647 4 N 2.4927 -2.4048 -0.0355 N.pl3 1 UNL1111111111 -0.5889 5 C 1.2812 -0.3034 0.0262 C.ar 1 UNL1111111111 -0.3294 6 C 1.3121 -1.7215 -0.0300 C.ar 1 UNL1111111111 0.3490 7 C 0.0463 0.3610 0.0437 C.ar 1 UNL1111111111 0.0162 8 C 0.0836 -2.4385 -0.0926 C.ar 1 UNL1111111111 -0.3263 9 C -1.1254 -0.3670 -0.0044 C.ar 1 UNL1111111111 -0.1626 10 C -1.1174 -1.7651 -0.0799 C.ar 1 UNL1111111111 -0.0058 11 C 2.5215 0.4637 0.0673 C.2 1 UNL1111111111 0.6407 12 C 3.4497 2.6210 -0.1228 C.3 1 UNL1111111111 -0.1656 13 H 0.0313 1.4548 0.0934 H 1 UNL1111111111 0.1810 14 H 0.1043 -3.5229 -0.1563 H 1 UNL1111111111 0.1679 15 H -2.0559 -2.3224 -0.1270 H 1 UNL1111111111 0.1628 16 H 2.5190 -3.3999 -0.0539 H 1 UNL1111111111 0.3070 17 H 3.3648 -1.9050 0.0630 H 1 UNL1111111111 0.3420 18 H 3.9439 2.5726 0.8537 H 1 UNL1111111111 0.1414 19 H 3.0331 3.6168 -0.3157 H 1 UNL1111111111 0.1468 20 H 4.1466 2.3207 -0.9148 H 1 UNL1111111111 0.1411 @BOND 1 1 9 1 2 2 11 1 3 2 12 1 4 3 11 2 5 4 6 1 6 4 16 1 7 4 17 1 8 5 6 ar 9 5 7 ar 10 5 11 1 11 6 8 ar 12 7 9 ar 13 7 13 1 14 8 10 ar 15 8 14 1 16 9 10 ar 17 10 15 1 18 12 18 1 19 12 19 1 20 12 20 1