@MOLECULE 5-hydroxy-1,3-benzothiazole-2-sulfonamide 20 21 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.7482 0.3480 -0.1095 S.O2 1 UNL1111111111 2.3606 2 S -0.3078 -1.6600 -0.0413 S.2 1 UNL1111111111 0.2509 3 O -2.9969 1.6397 -0.6754 O.2 1 UNL1111111111 -0.8501 4 O -3.3967 -0.8387 -0.6039 O.2 1 UNL1111111111 -0.9011 5 O 4.6523 1.4086 0.0294 O.3 1 UNL1111111111 -0.4485 6 N -0.1199 0.9425 -0.0742 N.ar 1 UNL1111111111 -0.2951 7 N -3.1385 0.4209 1.5739 N.3 1 UNL1111111111 -0.9396 8 C 1.1987 0.4523 -0.0421 C.ar 1 UNL1111111111 0.1503 9 C 1.2960 -0.9655 -0.0104 C.ar 1 UNL1111111111 -0.2594 10 C -1.0022 -0.0107 -0.0764 C.ar 1 UNL1111111111 -0.2358 11 C 2.3361 1.2582 -0.0284 C.ar 1 UNL1111111111 -0.2292 12 C 2.5381 -1.5895 0.0474 C.ar 1 UNL1111111111 -0.0586 13 C 3.5635 0.5999 0.0224 C.ar 1 UNL1111111111 0.2836 14 C 3.6817 -0.8028 0.0648 C.ar 1 UNL1111111111 -0.2936 15 H 2.2685 2.3454 -0.0538 H 1 UNL1111111111 0.2028 16 H 2.6260 -2.6775 0.0812 H 1 UNL1111111111 0.1635 17 H 4.6652 -1.2630 0.1121 H 1 UNL1111111111 0.1719 18 H -3.3941 1.3188 1.9491 H 1 UNL1111111111 0.2996 19 H -3.7487 -0.3004 1.9232 H 1 UNL1111111111 0.2986 20 H 5.5002 0.8970 0.0571 H 1 UNL1111111111 0.3291 @BOND 1 1 3 2 2 1 4 2 3 1 7 1 4 1 10 1 5 2 9 ar 6 2 10 ar 7 5 13 1 8 5 20 1 9 6 8 ar 10 6 10 ar 11 7 18 1 12 7 19 1 13 8 9 ar 14 8 11 ar 15 9 12 ar 16 11 13 ar 17 11 15 1 18 12 14 ar 19 12 16 1 20 13 14 ar 21 14 17 1