@MOLECULE 8-amino-6-hydroxy-5(1h)-quinolinone 21 22 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 3.3392 0.1173 0.0062 O.3 1 UNL1 -0.4467 2 O 1.5800 2.2000 -0.0062 O.2 1 UNL1 -0.5079 3 N -2.1374 -0.8155 0.0006 N.ar 1 UNL1 -0.3238 4 N -0.4021 -2.9712 -0.0042 N.pl3 1 UNL1 -0.6244 5 C -0.7498 -0.5789 -0.0007 C.ar 1 UNL1 0.1804 6 C -0.3162 0.7970 -0.0015 C.ar 1 UNL1 -0.2826 7 C 0.1363 -1.6343 -0.0012 C.ar 1 UNL1 -0.0639 8 C 1.1135 1.0733 -0.0025 C.ar 1 UNL1 0.4298 9 C -1.2380 1.8206 -0.0007 C.ar 1 UNL1 0.0892 10 C 1.5457 -1.3813 0.0019 C.ar 1 UNL1 -0.2074 11 C 2.0005 -0.1036 0.0019 C.ar 1 UNL1 0.1004 12 C -3.0288 0.2072 0.0039 C.ar 1 UNL1 0.1265 13 C -2.6165 1.5278 0.0028 C.ar 1 UNL1 -0.3711 14 H -2.4251 -1.7966 0.0014 H 1 UNL1 0.3407 15 H -0.8976 2.8640 -0.0022 H 1 UNL1 0.1775 16 H 2.2377 -2.2211 0.0047 H 1 UNL1 0.1762 17 H -4.0924 -0.0650 0.0076 H 1 UNL1 0.1625 18 H -3.3439 2.3317 0.0053 H 1 UNL1 0.1767 19 H -0.1109 -3.4810 -0.8297 H 1 UNL1 0.2611 20 H -0.1040 -3.4885 0.8138 H 1 UNL1 0.2611 21 H 3.5183 1.1023 0.0036 H 1 UNL1 0.3457 @BOND 1 19 4 1 2 2 8 2 3 4 7 1 4 4 20 1 5 8 6 ar 6 8 11 ar 7 15 9 1 8 6 5 ar 9 6 9 ar 10 7 5 ar 11 7 10 ar 12 5 3 ar 13 9 13 ar 14 3 14 1 15 3 12 ar 16 10 11 ar 17 10 16 1 18 11 1 1 19 13 12 ar 20 13 18 1 21 21 1 1 22 12 17 1