@MOLECULE 4-hydroxy-8-methoxy-2-quinolinecarboxylic acid 25 26 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.7239 -2.1173 -0.0309 O.3 1 UNL1 -0.3406 2 O -0.5877 3.3254 0.0091 O.2 1 UNL1 -0.4610 3 O -2.7307 -2.1760 -0.0176 O.3 1 UNL1 -0.5742 4 OXT -4.1212 -0.4291 0.0167 O.2 1 UNL1 -0.4365 5 N -0.5437 -0.7498 -0.0008 N.ar 1 UNL1 -0.3834 6 C 0.6613 -0.0520 -0.0048 C.ar 1 UNL1 0.1398 7 C 0.6904 1.3475 0.0003 C.ar 1 UNL1 -0.1853 8 C 1.8980 -0.7654 -0.0130 C.ar 1 UNL1 0.1451 9 C -0.5716 2.1136 0.0035 C.ar 1 UNL1 0.4812 10 CA -1.7325 -0.0499 -0.0020 C.ar 1 UNL1 0.1280 11 C 1.9223 2.0226 0.0018 C.ar 1 UNL1 -0.0959 12 C -1.7908 1.3065 -0.0005 C.ar 1 UNL1 -0.3377 13 C 3.1015 -0.0911 -0.0130 C.ar 1 UNL1 -0.2158 14 C 3.1083 1.3152 -0.0047 C.ar 1 UNL1 -0.1582 15 C -2.9962 -0.8431 0.0004 C.2 1 UNL1 0.6169 16 C 2.8948 -2.9178 0.0488 C.3 1 UNL1 -0.1864 17 H -0.5372 -1.7665 -0.0031 H 1 UNL1 0.3485 18 H 1.9157 3.1172 0.0081 H 1 UNL1 0.1821 19 H -2.7374 1.8489 -0.0006 H 1 UNL1 0.2086 20 H 4.0482 -0.6249 -0.0210 H 1 UNL1 0.1644 21 H 4.0627 1.8397 -0.0043 H 1 UNL1 0.1600 22 H 3.4425 -2.7214 0.9760 H 1 UNL1 0.1372 23 H 3.5272 -2.7687 -0.8325 H 1 UNL1 0.1370 24 H 2.4761 -3.9342 0.0556 H 1 UNL1 0.1551 25 H -3.5421 -2.7443 -0.0062 H 1 UNL1 0.3712 @BOND 1 23 16 1 2 1 8 1 3 1 16 1 4 20 13 1 5 3 25 1 6 3 15 1 7 13 8 ar 8 13 14 ar 9 8 6 ar 10 6 5 ar 11 6 7 ar 12 14 21 1 13 14 11 ar 14 17 5 1 15 10 5 ar 16 10 12 ar 17 10 15 1 18 19 12 1 19 12 9 ar 20 7 11 ar 21 7 9 ar 22 15 4 2 23 11 18 1 24 9 2 2 25 16 24 1 26 16 22 1