@MOLECULE 4-chloro-2-fluoro-5-nitrobenzoic acid 17 17 0 0 0 SMALL GASTEIGER @ATOM 1 CL 2.6992 -1.5079 -0.0882 Cl 1 UNL1111 0.0286 2 F -2.2418 -2.0755 0.0010 F 1 UNL1111 -0.1104 3 O -2.9154 1.9618 0.1133 O.3 1 UNL1111 -0.5519 4 O -3.8659 -0.0552 -0.0222 O.2 1 UNL1111 -0.4575 5 O 1.8094 2.5434 -0.5325 O.2 1 UNL1111 -0.3830 6 O 3.0341 1.1809 0.6019 O.2 1 UNL1111 -0.3612 7 N 2.0069 1.4760 0.0226 N.pl3 1 UNL1111 0.6323 8 C -1.4728 0.1332 0.0138 C.ar 1 UNL1111 -0.2453 9 C 0.9127 0.5107 0.0043 C.ar 1 UNL1111 -0.1731 10 C -0.3935 1.0141 0.0109 C.ar 1 UNL1111 0.0443 11 C -1.2208 -1.2468 -0.0013 C.ar 1 UNL1111 0.3106 12 C 1.1353 -0.8709 -0.0221 C.ar 1 UNL1111 0.1206 13 C 0.0733 -1.7676 -0.0233 C.ar 1 UNL1111 -0.2896 14 C -2.8651 0.6069 0.0289 C.2 1 UNL1111 0.6473 15 H -0.5671 2.1042 0.0127 H 1 UNL1111 0.2144 16 H 0.2413 -2.8487 -0.0438 H 1 UNL1111 0.2086 17 H -3.8415 2.3180 0.1239 H 1 UNL1111 0.3654 @BOND 1 1 12 1 2 2 11 1 3 3 14 1 4 3 17 1 5 4 14 2 6 5 7 2 7 6 7 2 8 7 9 1 9 8 10 ar 10 8 11 ar 11 8 14 1 12 9 10 ar 13 9 12 ar 14 10 15 1 15 11 13 ar 16 12 13 ar 17 13 16 1