@MOLECULE 1-aminonaphthalene-8-sulfonate 15 17 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -1.9430 0.0657 0.0112 S.3 1 UNL1 2.2159 2 O -2.5549 0.2473 1.2885 O.3 1 UNL1 -0.7954 3 O -2.6242 0.3189 -1.2180 O.3 1 UNL1 -0.7939 4 O -1.5547 -1.6365 -0.0529 O.2 1 UNL1 -0.3365 5 N -0.3638 -2.1493 -0.0311 N.2 1 UNL1 -0.0386 6 C 0.8470 0.0661 -0.0039 C.ar 1 UNL1 0.0308 7 C 2.1468 0.7425 -0.0002 C.ar 1 UNL1 -0.0402 8 C -0.3697 0.8144 -0.0064 C.ar 1 UNL1 -0.4552 9 C 0.7614 -1.4034 -0.0071 C.2 1 UNL1 -0.0088 10 C 2.0738 2.1281 -0.0056 C.ar 1 UNL1 0.0999 11 C -0.2414 2.1688 -0.0120 C.ar 1 UNL1 0.1448 12 C 3.2667 -0.0912 0.0099 C.2 1 UNL1 0.0287 13 C 0.9419 2.7659 -0.0125 C.ar 1 UNL1 -0.0676 14 C 2.0030 -2.0378 0.0067 C.3 1 UNL1 0.0457 15 C 3.1507 -1.3964 0.0140 C.2 1 UNL1 -0.0296 @BOND 1 3 1 1 2 4 5 1 3 4 1 1 4 5 9 2 5 13 11 ar 6 13 10 ar 7 11 8 ar 8 9 6 1 9 9 14 1 10 8 6 ar 11 8 1 1 12 10 7 ar 13 6 7 ar 14 7 12 1 15 14 15 1 16 12 15 2 17 1 2 1