@MOLECULE n-(2-{[(4-hydroxyphenyl)sulfonyl]amino}benzoyl)glycine 38 39 0 0 0 SMALL GASTEIGER @ATOM 1 S 2.7807 0.0576 1.0276 S.O2 1 UNL111111111 2.3803 2 O 3.0345 0.5480 2.3564 O.2 1 UNL111111111 -0.8698 3 O 3.8123 -0.4992 0.1902 O.2 1 UNL111111111 -0.8909 4 O -1.1641 -0.8229 1.8827 O.2 1 UNL111111111 -0.5557 5 O -0.4896 3.8836 -1.9610 O.3 1 UNL111111111 -0.4713 6 O -4.6892 -0.6149 -0.5400 O.3 1 UNL111111111 -0.5686 7 O -5.4880 0.3859 1.2865 O.2 1 UNL111111111 -0.4837 8 N 1.5389 -1.1681 1.2213 N.pl3 1 UNL111111111 -0.8470 9 N -2.1705 -0.1426 -0.0159 N.am 1 UNL111111111 -0.5720 10 C 1.0000 -1.8215 0.1038 C.ar 1 UNL111111111 0.2875 11 C 1.8938 1.2596 0.1131 C.ar 1 UNL111111111 -0.4960 12 C -0.3847 -1.7809 -0.1601 C.ar 1 UNL111111111 -0.2630 13 C 1.8448 -2.5469 -0.7608 C.ar 1 UNL111111111 -0.2315 14 C -0.9170 -2.5338 -1.2107 C.ar 1 UNL111111111 -0.0758 15 C 1.0955 2.1917 0.7845 C.ar 1 UNL111111111 0.0103 16 C 1.9320 1.2354 -1.2811 C.ar 1 UNL111111111 0.0168 17 C -1.2610 -0.9288 0.6716 C.2 1 UNL111111111 0.6080 18 C 1.3001 -3.2580 -1.8165 C.ar 1 UNL111111111 -0.0701 19 C -0.0820 -3.2700 -2.0380 C.ar 1 UNL111111111 -0.2192 20 C 0.2993 3.0757 0.0712 C.ar 1 UNL111111111 -0.2801 21 C 1.1425 2.1103 -2.0205 C.ar 1 UNL111111111 -0.3479 22 C 0.3285 3.0119 -1.3285 C.ar 1 UNL111111111 0.3430 23 C -3.1346 0.6587 0.7221 C.3 1 UNL111111111 -0.1385 24 C -4.5523 0.1508 0.5729 C.2 1 UNL111111111 0.6140 25 H 0.8796 -1.0517 2.0066 H 1 UNL111111111 0.3522 26 H 2.9248 -2.5612 -0.5805 H 1 UNL111111111 0.2006 27 H -1.9952 -2.5499 -1.3775 H 1 UNL111111111 0.1531 28 H 1.0861 2.2344 1.8826 H 1 UNL111111111 0.1769 29 H 2.5810 0.5272 -1.8140 H 1 UNL111111111 0.1735 30 H 1.9538 -3.8279 -2.4782 H 1 UNL111111111 0.1493 31 H -0.4960 -3.8563 -2.8542 H 1 UNL111111111 0.1573 32 H -0.3343 3.8059 0.5680 H 1 UNL111111111 0.1799 33 H 1.1608 2.0908 -3.1040 H 1 UNL111111111 0.1646 34 H -2.3388 -0.2603 -1.0040 H 1 UNL111111111 0.3230 35 H -3.0931 1.7213 0.3699 H 1 UNL111111111 0.1773 36 H -2.8707 0.6811 1.8188 H 1 UNL111111111 0.2171 37 H -0.4263 3.8249 -2.9463 H 1 UNL111111111 0.3344 38 H -5.6033 -0.9757 -0.6608 H 1 UNL111111111 0.3621 @BOND 1 1 2 2 2 1 3 2 3 1 8 1 4 1 11 1 5 4 17 2 6 5 22 1 7 5 37 1 8 6 24 1 9 6 38 1 10 7 24 2 11 8 10 1 12 8 25 1 13 9 17 am 14 9 23 1 15 9 34 1 16 10 12 ar 17 10 13 ar 18 11 15 ar 19 11 16 ar 20 12 14 ar 21 12 17 1 22 13 18 ar 23 13 26 1 24 14 19 ar 25 14 27 1 26 15 20 ar 27 15 28 1 28 16 21 ar 29 16 29 1 30 18 19 ar 31 18 30 1 32 19 31 1 33 20 22 ar 34 20 32 1 35 21 22 ar 36 21 33 1 37 23 24 1 38 23 35 1 39 23 36 1