@MOLECULE 2-[(3,5-dichloro-4-trioxidanylphenyl)amino]benzoic acid 30 31 0 0 0 SMALL GASTEIGER @ATOM 1 CL 3.5032 2.5167 0.6152 Cl 1 UNL11 -0.0226 2 C 2.3022 1.4169 0.1390 C.ar 1 UNL11 0.0588 3 C 2.6262 0.4231 -0.7875 C.ar 1 UNL11 -0.0371 4 O 3.8480 0.3847 -1.4121 O.3 1 UNL11 -0.1152 5 O 4.8199 -0.0862 -0.4902 O.3 1 UNL11 0.0933 6 O 4.8822 -1.4636 -0.5903 O.3 1 UNL11 -0.2976 7 C 1.6402 -0.4988 -1.1386 C.ar 1 UNL11 0.0562 8 CL 2.0247 -1.7497 -2.2173 Cl 1 UNL11 -0.0197 9 C 0.3563 -0.4270 -0.6238 C.ar 1 UNL11 -0.2920 10 C 1.0328 1.5282 0.6762 C.ar 1 UNL11 -0.2725 11 C 0.0394 0.6100 0.2722 C.ar 1 UNL11 0.2736 12 N -1.2349 0.7555 0.8322 N.pl3 1 UNL11 -0.5042 13 C -2.4124 0.2918 0.2508 C.ar 1 UNL11 0.3124 14 C -2.5346 0.1581 -1.1492 C.ar 1 UNL11 -0.2945 15 C -3.7241 -0.2773 -1.7061 C.ar 1 UNL11 -0.0182 16 C -4.8265 -0.5756 -0.8965 C.ar 1 UNL11 -0.2546 17 C -4.7318 -0.4146 0.4760 C.ar 1 UNL11 0.0044 18 C -3.5371 0.0207 1.0680 C.ar 1 UNL11 -0.2911 19 C -3.4728 0.1888 2.5158 C.2 1 UNL11 0.6756 20 O -2.5757 0.6781 3.1711 O.2 1 UNL11 -0.5637 21 O -4.5815 -0.2704 3.1478 O.3 1 UNL11 -0.5405 22 H 4.2282 -1.7645 0.0936 H 1 UNL11 0.2671 23 H -0.3909 -1.1792 -0.8848 H 1 UNL11 0.1962 24 H 0.7890 2.3183 1.3890 H 1 UNL11 0.1948 25 H -1.2871 1.0652 1.8152 H 1 UNL11 0.3610 26 H -1.7015 0.4309 -1.7965 H 1 UNL11 0.1802 27 H -3.8086 -0.3819 -2.7900 H 1 UNL11 0.1532 28 H -5.7530 -0.9230 -1.3468 H 1 UNL11 0.1628 29 H -5.5981 -0.6282 1.1116 H 1 UNL11 0.1721 30 H -4.5392 -0.1495 4.1325 H 1 UNL11 0.3617 @BOND 1 1 2 1 2 2 3 ar 3 2 10 ar 4 3 4 1 5 3 7 ar 6 4 5 1 7 5 6 1 8 6 22 1 9 7 8 1 10 7 9 ar 11 9 11 ar 12 9 23 1 13 10 11 ar 14 10 24 1 15 11 12 1 16 12 13 1 17 12 25 1 18 13 14 ar 19 13 18 ar 20 14 15 ar 21 14 26 1 22 15 16 ar 23 15 27 1 24 16 17 ar 25 16 28 1 26 17 18 ar 27 17 29 1 28 18 19 1 29 19 20 2 30 19 21 1 31 21 30 1