@MOLECULE amino(4-oxo-1,4-dihydro-3-quinolinyl)acetic acid 16 16 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.4484 0.7232 1.7170 O.2 1 UNL1 -0.3261 2 O 4.2745 1.8817 -0.3315 O.2 1 UNL1 -0.3049 3 O 2.5536 0.5180 -1.1304 O.2 1 UNL1 -0.3587 4 N -1.0298 -0.9119 -1.6557 N.ar 1 UNL1 -0.3048 5 N 2.6113 -2.2612 1.2315 N.1 1 UNL1 -0.2090 6 C 0.6482 -1.0541 0.1305 C.ar 1 UNL1 -0.2900 7 C 1.7151 -1.7198 0.7362 C.1 1 UNL1 0.1608 8 C -1.4943 0.2613 0.4327 C.ar 1 UNL1 -0.2096 9 C -2.0384 -0.3763 -0.8252 C.ar 1 UNL1 0.2475 10 C -0.0691 0.1005 0.8378 C.ar 1 UNL1 0.5033 11 C -0.0377 -1.2723 -0.9864 C.ar 1 UNL1 0.3902 12 C -2.4576 0.9550 1.0951 C.ar 1 UNL1 0.0688 13 C -3.3654 -0.1680 -1.0460 C.ar 1 UNL1 -0.1228 14 C 3.4166 1.1979 -0.7268 C.1 1 UNL1 0.6632 15 C -3.6995 1.1006 0.8073 C.ar 1 UNL1 -0.0304 16 C -4.1548 0.5155 -0.3004 C.ar 1 UNL1 0.1227 @BOND 1 4 11 ar 2 4 9 ar 3 3 14 2 4 13 9 ar 5 13 16 ar 6 11 6 ar 7 9 8 ar 8 14 2 2 9 16 15 ar 10 6 7 1 11 6 10 ar 12 8 10 ar 13 8 12 ar 14 7 5 3 15 15 12 ar 16 10 1 2