@MOLECULE 8-hydroxy-7-nitro-5-quinolinesulfonic acid 24 25 0 0 0 SMALL GASTEIGER @ATOM 1 S 2.2854 -1.2199 -0.0986 S.O2 1 UNL1111 2.4288 2 O -3.0231 1.3209 0.1029 O.3 1 UNL1111 -0.3592 3 O 2.7374 -0.8964 1.4611 O.3 1 UNL1111 -0.8418 4 O 2.1289 -2.6494 -0.1714 O.2 1 UNL1111 -0.9021 5 O 3.2065 -0.5264 -0.9554 O.2 1 UNL1111 -0.8873 6 O -2.6555 -2.7528 -0.0746 O.2 1 UNL1111 -0.3432 7 O -3.9570 -1.0468 0.0142 O.2 1 UNL1111 -0.4868 8 N -0.9057 2.9179 0.0577 N.ar 1 UNL1111 -0.3018 9 N -2.8254 -1.5527 -0.0310 N.pl3 1 UNL1111 0.6708 10 C 0.6006 0.9877 -0.0690 C.ar 1 UNL1111 0.0688 11 C 0.7219 -0.4383 -0.0921 C.ar 1 UNL1111 -0.4750 12 C -0.6888 1.5703 0.0076 C.ar 1 UNL1111 0.0092 13 C -0.3903 -1.2354 -0.0798 C.ar 1 UNL1111 0.0681 14 C -1.8596 0.7159 0.0298 C.ar 1 UNL1111 0.4227 15 C -1.6953 -0.6750 -0.0294 C.ar 1 UNL1111 -0.3436 16 C 1.6945 1.8949 -0.1206 C.ar 1 UNL1111 -0.1266 17 C 1.4707 3.2498 -0.0770 C.ar 1 UNL1111 -0.1763 18 C 0.1363 3.7314 0.0216 C.ar 1 UNL1111 0.0304 19 H -0.3175 -2.3428 -0.1084 H 1 UNL1111 0.2123 20 H 2.7258 1.5255 -0.2077 H 1 UNL1111 0.2063 21 H 2.2957 3.9600 -0.1184 H 1 UNL1111 0.1725 22 H -0.0774 4.8073 0.0679 H 1 UNL1111 0.1830 23 H -3.8047 0.6343 0.0988 H 1 UNL1111 0.3800 24 H 3.2609 -1.5637 1.9209 H 1 UNL1111 0.3909 @BOND 1 1 3 1 2 1 4 2 3 1 5 2 4 1 11 1 5 2 14 1 6 2 23 1 7 3 24 1 8 6 9 2 9 7 9 2 10 8 12 ar 11 8 18 ar 12 9 15 1 13 10 11 ar 14 10 12 ar 15 10 16 ar 16 11 13 ar 17 12 14 ar 18 13 15 ar 19 13 19 1 20 14 15 ar 21 16 17 ar 22 16 20 1 23 17 18 ar 24 17 21 1 25 18 22 1