@MOLECULE 7-(dimethylsulfamoyl)-9-oxo-9h-xanthene-2-carboxylic acid 37 39 0 0 0 SMALL GASTEIGER @ATOM 1 S -4.2688 -0.2302 -0.5637 S.O2 1 UNL111111111 2.3424 2 O 1.1251 2.0395 0.1296 O.2 1 UNL111111111 -0.2730 3 O -5.1381 0.9046 -0.7685 O.2 1 UNL111111111 -0.8980 4 O -4.1922 -1.3346 -1.4872 O.2 1 UNL111111111 -0.8778 5 O 0.8386 -2.0242 -0.3616 O.2 1 UNL111111111 -0.4238 6 O 6.9564 -0.1042 0.2031 O.3 1 UNL111111111 -0.5656 7 O 6.0061 -2.0961 -0.0897 O.2 1 UNL111111111 -0.4911 8 N -4.6858 -0.9070 0.9918 N.3 1 UNL111111111 -0.6981 9 C -0.2469 0.0619 -0.2338 C.ar 1 UNL111111111 -0.3000 10 C -2.6296 0.4106 -0.3627 C.ar 1 UNL111111111 -0.4787 11 C -0.0896 1.4350 -0.0412 C.ar 1 UNL111111111 0.2929 12 C -1.5382 -0.4457 -0.4148 C.ar 1 UNL111111111 0.0496 13 C 2.2115 -0.1294 -0.0807 C.ar 1 UNL111111111 -0.3063 14 C 0.9261 -0.8251 -0.2432 C.ar 1 UNL111111111 0.4901 15 C 2.2443 1.2559 0.0946 C.ar 1 UNL111111111 0.2997 16 C -2.4494 1.7859 -0.1725 C.ar 1 UNL111111111 0.0164 17 C -1.1768 2.3158 -0.0084 C.ar 1 UNL111111111 -0.2758 18 C 3.4200 -0.8307 -0.0958 C.ar 1 UNL111111111 0.0598 19 C 3.4403 1.9673 0.2558 C.ar 1 UNL111111111 -0.2746 20 C 4.6196 -0.1377 0.0637 C.ar 1 UNL111111111 -0.2245 21 C -3.9594 -2.1173 1.3920 C.3 1 UNL111111111 -0.2483 22 C -4.8629 0.0494 2.0898 C.3 1 UNL111111111 -0.2477 23 C 4.6301 1.2556 0.2382 C.ar 1 UNL111111111 0.0248 24 C 5.8687 -0.9074 0.0435 C.2 1 UNL111111111 0.6499 25 H -1.6505 -1.5253 -0.6074 H 1 UNL111111111 0.1930 26 H -3.3148 2.4658 -0.1638 H 1 UNL111111111 0.1829 27 H -1.0155 3.3819 0.1349 H 1 UNL111111111 0.1829 28 H 3.4134 -1.9232 -0.2335 H 1 UNL111111111 0.2002 29 H 3.4213 3.0473 0.3886 H 1 UNL111111111 0.1866 30 H -3.9510 -2.8492 0.5584 H 1 UNL111111111 0.1708 31 H -4.4983 -2.6073 2.2242 H 1 UNL111111111 0.1489 32 H -2.9232 -1.9369 1.7227 H 1 UNL111111111 0.1193 33 H -5.5239 0.8790 1.7677 H 1 UNL111111111 0.1663 34 H -3.9224 0.4707 2.4807 H 1 UNL111111111 0.1170 35 H -5.3838 -0.4499 2.9282 H 1 UNL111111111 0.1486 36 H 5.5849 1.7806 0.3605 H 1 UNL111111111 0.1807 37 H 7.8115 -0.6007 0.1910 H 1 UNL111111111 0.3606 @BOND 1 1 3 2 2 1 4 2 3 1 8 1 4 1 10 1 5 2 11 ar 6 2 15 ar 7 5 14 2 8 6 24 1 9 6 37 1 10 7 24 2 11 8 21 1 12 8 22 1 13 9 11 ar 14 9 12 ar 15 9 14 ar 16 10 12 ar 17 10 16 ar 18 11 17 ar 19 12 25 1 20 13 14 ar 21 13 15 ar 22 13 18 ar 23 15 19 ar 24 16 17 ar 25 16 26 1 26 17 27 1 27 18 20 ar 28 18 28 1 29 19 23 ar 30 19 29 1 31 20 23 ar 32 20 24 1 33 21 30 1 34 21 31 1 35 21 32 1 36 22 33 1 37 22 34 1 38 22 35 1 39 23 36 1