@MOLECULE 9-oxo-n-(2h-tetrazol-5-yl)-9h-xanthene-2-sulfonamide 33 36 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.7975 2.3738 1.2097 O.2 1 UNL1 -0.8573 2 S -2.3804 1.0526 0.8333 S.O2 1 UNL1 2.3974 3 O -2.6204 -0.0878 1.7101 O.2 1 UNL1 -0.9878 4 N -3.1948 0.5942 -0.6270 N.2 1 UNL1 -0.8706 5 C -4.0494 -0.3674 -0.6847 C.ar 1 UNL1 0.5365 6 N -4.8040 -0.7388 -1.8218 N.ar 1 UNL1 -0.3883 7 N -5.5881 -1.8282 -1.5138 N.ar 1 UNL1 -0.0295 8 N -5.4299 -2.1379 -0.2860 N.ar 1 UNL1 -0.0002 9 N -4.5335 -1.2825 0.2935 N.ar 1 UNL1 -0.4105 10 C -0.7017 1.0811 0.3575 C.ar 1 UNL1 -0.4634 11 C 0.1446 0.0412 0.7254 C.ar 1 UNL1 0.0736 12 C -0.2205 2.1628 -0.3961 C.ar 1 UNL1 0.0423 13 C 1.1059 2.2085 -0.7962 C.ar 1 UNL1 -0.2846 14 C 1.9450 1.1484 -0.4245 C.ar 1 UNL1 0.3116 15 O 3.2269 1.2747 -0.8653 O.2 1 UNL1 -0.2768 16 C 4.1201 0.2824 -0.5435 C.ar 1 UNL1 0.2521 17 C 5.4098 0.4962 -1.0385 C.ar 1 UNL1 -0.2423 18 C 6.3780 -0.4605 -0.7591 C.ar 1 UNL1 -0.0482 19 C 6.0645 -1.5983 -0.0062 C.ar 1 UNL1 -0.2211 20 C 4.7751 -1.7899 0.4751 C.ar 1 UNL1 -0.0119 21 C 3.7812 -0.8417 0.2080 C.ar 1 UNL1 -0.2749 22 C 2.4082 -1.0166 0.7039 C.ar 1 UNL1 0.4860 23 C 1.4870 0.0677 0.3331 C.ar 1 UNL1 -0.3076 24 O 2.0648 -1.9722 1.3601 O.2 1 UNL1 -0.4323 25 H -4.6968 -0.4280 -2.7686 H 1 UNL1 0.3668 26 H -4.1520 -1.4341 1.2320 H 1 UNL1 0.4055 27 H -0.2077 -0.8142 1.3287 H 1 UNL1 0.1997 28 H -0.8892 2.9891 -0.6753 H 1 UNL1 0.1755 29 H 1.4990 3.0359 -1.3819 H 1 UNL1 0.1814 30 H 5.6344 1.3865 -1.6212 H 1 UNL1 0.1800 31 H 7.3950 -0.3231 -1.1311 H 1 UNL1 0.1564 32 H 6.8377 -2.3359 0.2019 H 1 UNL1 0.1644 33 H 4.5175 -2.6757 1.0652 H 1 UNL1 0.1780 @BOND 1 25 6 1 2 6 7 ar 3 6 5 ar 4 30 17 1 5 7 8 ar 6 29 13 1 7 31 18 1 8 17 18 ar 9 17 16 ar 10 15 16 ar 11 15 14 ar 12 13 14 ar 13 13 12 ar 14 18 19 ar 15 5 4 2 16 5 9 ar 17 28 12 1 18 4 2 1 19 16 21 ar 20 14 23 ar 21 12 10 ar 22 8 9 ar 23 19 32 1 24 19 20 ar 25 21 20 ar 26 21 22 ar 27 9 26 1 28 23 22 ar 29 23 11 ar 30 10 11 ar 31 10 2 1 32 20 33 1 33 22 24 2 34 11 27 1 35 2 1 2 36 2 3 2