@MOLECULE (2r)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydro-2-naphthalenesulfonic acid 27 28 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.4215 -1.4084 -1.0269 O.3 1 UNL111111111 -0.8269 2 S -1.8385 0.1236 -0.8261 S.O2 1 UNL111111111 2.3620 3 O -0.7850 0.2519 -1.7955 O.2 1 UNL111111111 -0.8939 4 O -2.9425 1.0365 -0.7887 O.2 1 UNL111111111 -0.8508 5 C -1.1395 -0.0359 0.8434 C.3 1 UNL111111111 -0.3182 6 C -2.2550 -0.4616 1.7965 C.3 1 UNL111111111 -0.4356 7 C -0.5638 1.3055 1.2952 C.3 1 UNL111111111 -0.3918 8 C 0.7256 1.7085 0.6136 C.2 1 UNL111111111 0.4607 9 O 1.0045 2.8743 0.4819 O.2 1 UNL111111111 -0.4199 10 C 1.6471 0.6293 0.1902 C.ar 1 UNL111111111 -0.1023 11 C 2.8920 0.9654 -0.3366 C.ar 1 UNL111111111 -0.0941 12 C 3.7744 -0.0418 -0.7314 C.ar 1 UNL111111111 -0.1347 13 C 3.4110 -1.3796 -0.6017 C.ar 1 UNL111111111 -0.1359 14 C 2.1619 -1.7182 -0.0786 C.ar 1 UNL111111111 -0.1004 15 C 1.2801 -0.7138 0.3139 C.ar 1 UNL111111111 -0.1149 16 C -0.0419 -1.0960 0.8612 C.2 1 UNL111111111 0.4464 17 O -0.2406 -2.1928 1.3178 O.2 1 UNL111111111 -0.4018 18 H -2.6798 -1.4451 1.5260 H 1 UNL111111111 0.1819 19 H -1.8802 -0.5793 2.8231 H 1 UNL111111111 0.1592 20 H -3.0844 0.2592 1.8327 H 1 UNL111111111 0.1663 21 H -1.3146 2.1273 1.1940 H 1 UNL111111111 0.2020 22 H -0.3610 1.2793 2.3932 H 1 UNL111111111 0.1884 23 H 3.1676 2.0182 -0.4449 H 1 UNL111111111 0.1763 24 H 4.7468 0.2225 -1.1464 H 1 UNL111111111 0.1580 25 H 4.0992 -2.1653 -0.9119 H 1 UNL111111111 0.1569 26 H 1.8716 -2.7665 0.0235 H 1 UNL111111111 0.1710 27 H -2.3135 -1.8087 -1.9012 H 1 UNL111111111 0.3920 @BOND 1 1 27 1 2 2 5 1 3 2 1 1 4 3 2 2 5 4 2 2 6 5 7 1 7 5 6 1 8 6 18 1 9 6 19 1 10 6 20 1 11 7 21 1 12 7 22 1 13 8 9 2 14 8 7 1 15 10 8 1 16 11 10 ar 17 11 23 1 18 12 11 ar 19 12 24 1 20 13 12 ar 21 13 14 ar 22 13 25 1 23 14 15 ar 24 14 26 1 25 15 10 ar 26 15 16 1 27 16 5 1 28 17 16 2