@MOLECULE 7-amino-2-[3-amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-5-methyl-6-oxo-1,6-dihydro-2-pyridinyl]-6-methoxy-5,8-quinolinedione 57 60 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.9485 -0.0750 1.9322 O.3 1 UNL1 -0.4177 2 O -1.1556 -4.4476 0.1050 O.2 1 UNL1 -0.5136 3 O -6.2075 1.3314 1.4185 O.3 1 UNL1 -0.2902 4 O -6.7429 2.1510 -1.1831 O.3 1 UNL1 -0.3398 5 O 7.4948 1.4909 0.0564 O.2 1 UNL1 -0.2765 6 O 3.9476 0.0055 -2.6523 O.2 1 UNL1 -0.3249 7 O 5.8602 1.0694 2.2569 O.2 1 UNL1 -0.4041 8 N 0.0551 -2.5799 0.3267 N.ar 1 UNL1 -0.4626 9 N 2.2973 -0.4461 -0.4957 N.ar 1 UNL1 -0.3126 10 N -0.8500 0.9971 0.2423 N.pl3 1 UNL1 -0.5807 11 N 6.5018 0.9006 -2.4480 N.pl3 1 UNL1 -0.5447 12 C -2.2160 -1.0232 -0.1503 C.ar 1 UNL1 -0.0130 13 C 0.1672 -1.1963 0.3291 C.ar 1 UNL1 0.0233 14 C -0.9358 -0.4020 0.1126 C.ar 1 UNL1 0.0910 15 C -2.3279 -2.3782 -0.1600 C.ar 1 UNL1 -0.0594 16 C -3.3834 -0.1763 -0.4167 C.ar 1 UNL1 -0.1961 17 C 1.5160 -0.6482 0.5838 C.ar 1 UNL1 0.1607 18 C -1.1605 -3.2322 0.0766 C.ar 1 UNL1 0.5385 19 C 4.0513 0.3246 0.9660 C.ar 1 UNL1 -0.1789 20 C 3.5392 0.0284 -0.3042 C.ar 1 UNL1 0.0609 21 C -4.2016 0.2390 0.6438 C.ar 1 UNL1 0.2533 22 C 1.9437 -0.3705 1.8920 C.ar 1 UNL1 -0.1907 23 C -3.5897 -3.1170 -0.4031 C.3 1 UNL1 -0.4325 24 C -3.7217 0.1841 -1.7258 C.ar 1 UNL1 -0.0724 25 C 3.2310 0.1285 2.0773 C.ar 1 UNL1 -0.0454 26 C -5.3547 1.0050 0.3995 C.ar 1 UNL1 0.0148 27 C 4.3501 0.2240 -1.5409 C.2 1 UNL1 0.4110 28 C 5.4455 0.8258 1.1482 C.2 1 UNL1 0.4518 29 C -4.8613 0.9345 -1.9838 C.ar 1 UNL1 -0.2715 30 C -5.6729 1.3347 -0.9198 C.ar 1 UNL1 0.2083 31 C 5.7520 0.7257 -1.3247 C.2 1 UNL1 0.1188 32 C 6.2307 0.9700 -0.0691 C.2 1 UNL1 -0.1423 33 C -5.8492 2.5760 2.0240 C.3 1 UNL1 -0.2043 34 C -7.9551 1.4095 -1.3159 C.3 1 UNL1 -0.1889 35 C 8.4610 0.4715 0.3277 C.3 1 UNL1 -0.2159 36 H 0.8910 -3.1420 0.4650 H 1 UNL1 0.3276 37 H 1.2742 -0.5353 2.7359 H 1 UNL1 0.1841 38 H -4.4549 -2.4646 -0.5874 H 1 UNL1 0.1649 39 H -3.8411 -3.7637 0.4560 H 1 UNL1 0.1748 40 H -3.4932 -3.7925 -1.2706 H 1 UNL1 0.1750 41 H -3.0805 -0.1414 -2.5442 H 1 UNL1 0.1665 42 H 3.6121 0.3672 3.0786 H 1 UNL1 0.1902 43 H 0.0584 1.3848 0.0418 H 1 UNL1 0.2786 44 H -1.5816 1.5044 -0.2329 H 1 UNL1 0.2879 45 H -5.1315 1.2225 -2.9973 H 1 UNL1 0.1768 46 H -3.0813 -0.5657 2.0139 H 1 UNL1 0.3330 47 H 6.1014 0.7581 -3.3540 H 1 UNL1 0.3207 48 H 7.4032 1.3276 -2.3758 H 1 UNL1 0.3194 49 H -5.9067 3.3886 1.2920 H 1 UNL1 0.1341 50 H -6.6210 2.6908 2.7949 H 1 UNL1 0.1466 51 H -4.8538 2.5113 2.4739 H 1 UNL1 0.1366 52 H -8.6951 2.1929 -1.5131 H 1 UNL1 0.1477 53 H -8.1882 0.8833 -0.3825 H 1 UNL1 0.1434 54 H -7.8870 0.7174 -2.1608 H 1 UNL1 0.1279 55 H 8.5411 -0.2188 -0.5121 H 1 UNL1 0.1224 56 H 8.2140 -0.0598 1.2525 H 1 UNL1 0.1434 57 H 9.3845 1.0481 0.4581 H 1 UNL1 0.1447 @BOND 1 47 11 1 2 45 29 1 3 6 27 2 4 41 24 1 5 11 48 1 6 11 31 1 7 54 34 1 8 29 24 ar 9 29 30 ar 10 24 16 ar 11 27 31 1 12 27 20 1 13 52 34 1 14 31 32 2 15 34 4 1 16 34 53 1 17 40 23 1 18 4 30 1 19 30 26 ar 20 38 23 1 21 55 35 1 22 9 20 ar 23 9 17 ar 24 16 12 1 25 16 21 ar 26 23 15 1 27 23 39 1 28 20 19 ar 29 44 10 1 30 15 12 ar 31 15 18 ar 32 12 14 ar 33 32 5 1 34 32 28 1 35 43 10 1 36 5 35 1 37 18 2 2 38 18 8 ar 39 14 10 1 40 14 13 ar 41 8 13 ar 42 8 36 1 43 35 57 1 44 35 56 1 45 13 17 1 46 26 21 ar 47 26 3 1 48 17 22 ar 49 21 1 1 50 19 28 1 51 19 25 ar 52 28 7 2 53 49 33 1 54 3 33 1 55 22 25 ar 56 22 37 1 57 1 46 1 58 33 51 1 59 33 50 1 60 25 42 1