@MOLECULE 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid 28 31 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 6.5305 -2.4533 0.1620 O.co2 1 UNL1 -0.3963 2 O -4.2044 -4.5355 -0.0856 O.2 1 UNL1 -0.3794 3 O -2.3068 -4.0509 -0.9906 O.2 1 UNL1 -0.3625 4 O 7.2801 -0.3593 0.0854 O.co2 1 UNL1 -0.0695 5 N -0.1784 0.3652 0.1034 N.ar 1 UNL1 -0.2862 6 N -2.9874 2.7605 -0.0413 N.ar 1 UNL1 -0.3828 7 N -3.3164 -3.7571 -0.3815 N.pl3 1 UNL1 0.6683 8 C -1.4117 0.8625 0.0959 C.ar 1 UNL1 0.1893 9 C -1.6941 2.2675 -0.0467 C.ar 1 UNL1 0.1062 10 C -0.5484 3.1683 -0.2001 C.ar 1 UNL1 -0.0803 11 C 0.9119 1.1951 -0.0336 C.ar 1 UNL1 0.1095 12 C -2.5104 -0.0788 0.2435 C.ar 1 UNL1 -0.1546 13 C 0.6593 2.5250 -0.1768 C.ar 1 UNL1 0.0459 14 C 2.2255 0.5956 -0.0060 C.ar 1 UNL1 0.0746 15 C -0.9624 4.4878 -0.3324 C.ar 1 UNL1 0.0544 16 C -2.4865 -1.4209 -0.0881 C.ar 1 UNL1 0.2166 17 C -3.7792 0.1911 0.7419 C.ar 1 UNL1 0.1865 18 C 2.5690 -0.7477 0.0915 C.ar 1 UNL1 0.0048 19 C 3.4564 1.2411 -0.0638 C.ar 1 UNL1 -0.0393 20 C -3.4836 -2.3778 0.0210 C.ar 1 UNL1 -0.2645 21 C -2.1614 4.9458 -0.3294 C.ar 1 UNL1 -0.0712 22 C -4.7963 -0.5891 0.9069 C.ar 1 UNL1 -0.1835 23 C 3.7634 -1.2837 0.1240 C.ar 1 UNL1 0.0409 24 C 4.6530 0.7103 -0.0308 C.ar 1 UNL1 0.0074 25 C 4.9859 -0.6314 0.0688 C.ar 1 UNL1 -0.1021 26 C -3.1892 4.0196 -0.1756 C.ar 1 UNL1 0.2976 27 C -4.6811 -1.8941 0.5558 C.ar 1 UNL1 0.2779 28 C 6.3162 -1.2657 0.1103 C.2 1 UNL1 0.4923 @BOND 1 3 7 2 2 7 2 2 3 7 20 1 4 15 21 ar 5 15 10 ar 6 21 26 ar 7 10 13 ar 8 10 9 ar 9 13 11 ar 10 26 6 ar 11 16 20 ar 12 16 12 ar 13 19 24 ar 14 19 14 ar 15 9 6 ar 16 9 8 ar 17 11 14 1 18 11 5 ar 19 24 25 ar 20 14 18 ar 21 20 27 ar 22 25 28 1 23 25 23 ar 24 4 28 ar 25 18 23 ar 26 8 5 ar 27 8 12 1 28 28 1 ar 29 12 17 ar 30 27 22 ar 31 17 22 ar