@MOLECULE 4-amino-3-hydroxy-1-naphthalenesulfonic acid 25 26 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.3317 -0.1833 0.1123 S.O2 1 UNL1111111111 2.4303 2 O 1.7785 -3.1632 0.0093 O.3 1 UNL1111111111 -0.4900 3 O -2.5959 0.3808 -1.4280 O.3 1 UNL1111111111 -0.8404 4 O -2.9724 -1.4801 0.1442 O.2 1 UNL1111111111 -0.9343 5 O -2.7596 0.8550 1.0119 O.2 1 UNL1111111111 -0.8904 6 N 3.5172 -1.1528 -0.0522 N.pl3 1 UNL1111111111 -0.5860 7 C 0.2912 0.7305 0.0531 C.ar 1 UNL1111111111 0.1177 8 C 1.6910 0.4953 0.0006 C.ar 1 UNL1111111111 -0.1271 9 C -0.6082 -0.3669 0.0836 C.ar 1 UNL1111111111 -0.4786 10 C 2.1826 -0.8528 -0.0095 C.ar 1 UNL1111111111 0.2509 11 C -0.1270 -1.6670 0.0721 C.ar 1 UNL1111111111 -0.0805 12 C 1.2420 -1.9011 0.0314 C.ar 1 UNL1111111111 0.0464 13 C -0.1546 2.0877 0.0715 C.ar 1 UNL1111111111 -0.1702 14 C 2.5886 1.5983 -0.0409 C.ar 1 UNL1111111111 -0.1323 15 C 0.7320 3.1297 0.0292 C.ar 1 UNL1111111111 -0.1143 16 C 2.1260 2.8867 -0.0298 C.ar 1 UNL1111111111 -0.1680 17 H -0.8065 -2.5318 0.0933 H 1 UNL1111111111 0.1853 18 H -1.2260 2.3110 0.1303 H 1 UNL1111111111 0.1919 19 H 3.6605 1.4174 -0.0815 H 1 UNL1111111111 0.1370 20 H 0.3782 4.1603 0.0431 H 1 UNL1111111111 0.1521 21 H 2.8110 3.7307 -0.0629 H 1 UNL1111111111 0.1524 22 H 3.8129 -2.1092 -0.0656 H 1 UNL1111111111 0.3252 23 H 4.2155 -0.4487 -0.1017 H 1 UNL1111111111 0.3052 24 H 1.0756 -3.8469 0.1211 H 1 UNL1111111111 0.3342 25 H -3.4018 0.0861 -1.8653 H 1 UNL1111111111 0.3835 @BOND 1 1 3 1 2 1 4 2 3 1 5 2 4 1 9 1 5 2 12 1 6 2 24 1 7 3 25 1 8 6 10 1 9 6 22 1 10 6 23 1 11 7 8 ar 12 7 9 ar 13 7 13 ar 14 8 10 ar 15 8 14 ar 16 9 11 ar 17 10 12 ar 18 11 12 ar 19 11 17 1 20 13 15 ar 21 13 18 1 22 14 16 ar 23 14 19 1 24 15 16 ar 25 15 20 1 26 16 21 1