@MOLECULE 2-amino-4-chloro-5-fluorobenzenesulfonic acid 18 18 0 0 0 SMALL GASTEIGER @ATOM 1 CL -3.7894 0.3811 0.0451 Cl 1 UNL1111111111 -0.0304 2 S 2.3963 -0.2398 -0.1130 S.O2 1 UNL1111111111 2.4581 3 F -2.2761 -2.0751 -0.0422 F 1 UNL1111111111 -0.1354 4 O 2.7003 -0.5095 1.4909 O.3 1 UNL1111111111 -0.8344 5 O 2.7591 -1.4662 -0.7737 O.2 1 UNL1111111111 -0.8987 6 O 3.0564 1.0045 -0.4575 O.2 1 UNL1111111111 -0.9442 7 N 0.8268 2.4407 -0.0324 N.pl3 1 UNL1111111111 -0.5891 8 C 0.6861 0.0051 -0.0718 C.ar 1 UNL1111111111 -0.5660 9 C 0.0930 1.2910 -0.0319 C.ar 1 UNL1111111111 0.3671 10 C -0.1250 -1.1388 -0.0745 C.ar 1 UNL1111111111 -0.0138 11 C -1.3315 1.4054 0.0120 C.ar 1 UNL1111111111 -0.3385 12 C -1.5004 -1.0026 -0.0364 C.ar 1 UNL1111111111 0.0104 13 C -2.0961 0.2672 0.0064 C.ar 1 UNL1111111111 0.0908 14 H 0.3180 -2.1459 -0.1185 H 1 UNL1111111111 0.1921 15 H -1.7883 2.3921 0.0470 H 1 UNL1111111111 0.1818 16 H 1.8385 2.4246 -0.1432 H 1 UNL1111111111 0.3581 17 H 0.3831 3.3320 -0.0315 H 1 UNL1111111111 0.3040 18 H 3.4837 -1.0264 1.7141 H 1 UNL1111111111 0.3880 @BOND 1 1 13 1 2 2 4 1 3 2 5 2 4 2 6 2 5 2 8 1 6 3 12 1 7 4 18 1 8 7 9 1 9 7 16 1 10 7 17 1 11 8 9 ar 12 8 10 ar 13 9 11 ar 14 10 12 ar 15 10 14 1 16 11 13 ar 17 11 15 1 18 12 13 ar