@MOLECULE 1,4-dioxo-1,4-dihydro-2-naphthalenesulfonic acid 22 23 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.6320 0.0256 0.1237 S.O2 1 UNL1111111111 2.4188 2 O -0.4142 2.0815 -0.0350 O.2 1 UNL1111111111 -0.3630 3 O -2.8507 0.7466 -1.3434 O.3 1 UNL1111111111 -0.8217 4 O 1.4530 -2.9053 -0.0429 O.2 1 UNL1111111111 -0.3802 5 O -3.0026 0.9179 1.1763 O.2 1 UNL1111111111 -0.8392 6 O -3.2714 -1.2618 0.0039 O.2 1 UNL1111111111 -0.9228 7 C 1.4742 0.6952 0.0037 C.ar 1 UNL1111111111 -0.1103 8 C 1.9818 -0.6089 0.0033 C.ar 1 UNL1111111111 -0.1292 9 C -0.8841 -0.2297 0.0583 C.2 1 UNL1111111111 -0.4347 10 C 0.0104 0.9534 0.0057 C.2 1 UNL1111111111 0.4492 11 C 1.0618 -1.7645 -0.0011 C.2 1 UNL1111111111 0.4189 12 C -0.4042 -1.4758 0.0495 C.2 1 UNL1111111111 -0.0965 13 C 2.3462 1.7801 0.0020 C.ar 1 UNL1111111111 -0.1046 14 C 3.3573 -0.8246 0.0052 C.ar 1 UNL1111111111 -0.1004 15 C 3.7257 1.5633 0.0031 C.ar 1 UNL1111111111 -0.1313 16 C 4.2299 0.2661 0.0055 C.ar 1 UNL1111111111 -0.1363 17 H -1.0359 -2.3814 0.0749 H 1 UNL1111111111 0.2088 18 H 1.9453 2.7987 -0.0006 H 1 UNL1111111111 0.1807 19 H 3.7481 -1.8460 0.0048 H 1 UNL1111111111 0.1771 20 H 4.4070 2.4149 0.0025 H 1 UNL1111111111 0.1636 21 H 5.3074 0.0972 0.0068 H 1 UNL1111111111 0.1640 22 H -3.6775 0.5588 -1.8072 H 1 UNL1111111111 0.3890 @BOND 1 1 3 1 2 1 5 2 3 1 6 2 4 1 9 1 5 2 10 2 6 3 22 1 7 4 11 2 8 7 8 ar 9 7 10 1 10 7 13 ar 11 8 11 1 12 8 14 ar 13 9 10 1 14 9 12 2 15 11 12 1 16 12 17 1 17 13 15 ar 18 13 18 1 19 14 16 ar 20 14 19 1 21 15 16 ar 22 15 20 1 23 16 21 1