@MOLECULE 1-hydroxy-4-sulfamoyl-2-naphthoic acid 27 28 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.1706 1.3676 -0.0641 S.O2 1 UNL111111111 2.3789 2 O 3.0031 -1.4215 0.0521 O.3 1 UNL111111111 -0.4043 3 O -1.8428 2.7525 -0.3120 O.2 1 UNL111111111 -0.9144 4 O -3.2098 0.6889 -0.8048 O.2 1 UNL111111111 -0.9261 5 O 2.7771 2.5414 -0.5143 O.3 1 UNL111111111 -0.5653 6 O 4.0612 1.0111 0.4631 O.2 1 UNL111111111 -0.4817 7 N -2.6779 1.2944 1.5976 N.3 1 UNL111111111 -0.9468 8 C -0.6603 -0.9887 -0.0784 C.ar 1 UNL111111111 0.1557 9 C -0.6821 0.4394 -0.0866 C.ar 1 UNL111111111 -0.4869 10 C 0.5895 -1.6528 -0.0088 C.ar 1 UNL111111111 -0.1836 11 C 1.7844 -0.8678 0.0169 C.ar 1 UNL111111111 0.3808 12 C 0.4892 1.1613 -0.0789 C.ar 1 UNL111111111 0.0756 13 C 1.7459 0.5193 -0.0178 C.ar 1 UNL111111111 -0.3027 14 C -1.8290 -1.7990 -0.1435 C.ar 1 UNL111111111 -0.1875 15 C 0.6506 -3.0692 0.0297 C.ar 1 UNL111111111 -0.1248 16 C -1.7485 -3.1685 -0.1094 C.ar 1 UNL111111111 -0.0975 17 C -0.4962 -3.8189 -0.0137 C.ar 1 UNL111111111 -0.1668 18 C 2.9800 1.3036 0.0263 C.2 1 UNL111111111 0.6632 19 H 0.4897 2.2691 -0.1185 H 1 UNL111111111 0.2074 20 H -2.8181 -1.3358 -0.2482 H 1 UNL111111111 0.2013 21 H 1.6193 -3.5662 0.0949 H 1 UNL111111111 0.1381 22 H -2.6537 -3.7756 -0.1616 H 1 UNL111111111 0.1558 23 H -0.4608 -4.9063 0.0181 H 1 UNL111111111 0.1584 24 H -2.6026 2.1443 2.1312 H 1 UNL111111111 0.2945 25 H -3.5552 0.8396 1.7844 H 1 UNL111111111 0.2918 26 H 2.9894 -2.4186 0.0833 H 1 UNL111111111 0.3317 27 H 3.5861 3.1081 -0.5000 H 1 UNL111111111 0.3553 @BOND 1 1 3 2 2 1 4 2 3 1 7 1 4 1 9 1 5 2 11 1 6 2 26 1 7 5 18 1 8 5 27 1 9 6 18 2 10 7 24 1 11 7 25 1 12 8 9 ar 13 8 10 ar 14 8 14 ar 15 9 12 ar 16 10 11 ar 17 10 15 ar 18 11 13 ar 19 12 13 ar 20 12 19 1 21 13 18 1 22 14 16 ar 23 14 20 1 24 15 17 ar 25 15 21 1 26 16 17 ar 27 16 22 1 28 17 23 1