@MOLECULE imino[2-(2-oxo-1,2-dihydro-3-pyridinyl)-1h-benzimidazol-5-yl]methanaminium 19 19 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 3.3611 0.4202 0.0002 C.2 1 UNL1 0.0848 2 C 3.1426 -0.9669 0.0196 C.2 1 UNL1 0.0398 3 C 2.2161 -1.8025 0.0227 C.2 1 UNL1 -0.1140 4 C 0.9331 -2.1843 0.0163 C.2 1 UNL1 0.2236 5 C 0.8748 0.8119 -0.0259 C.3 1 UNL1 0.1832 6 C 2.1157 0.9861 -0.0191 C.3 1 UNL1 -0.1630 7 C 4.6902 1.0947 0.0008 C.2 1 UNL1 0.1470 8 N 4.7632 2.3803 -0.0711 N.pl3 1 UNL1 -0.0948 9 N 5.7695 0.2927 0.0752 N.pl3 1 UNL1 -0.0882 10 N -0.2780 -1.9468 0.0043 N.2 1 UNL1 -0.4321 11 N -0.4023 0.5547 -0.0284 N.pl3 1 UNL1 -0.3581 12 C -0.9313 -0.6560 -0.0119 C.2 1 UNL1 0.4726 13 C -2.3697 -0.8175 -0.0089 C.2 1 UNL1 -0.3245 14 C -3.2117 0.2949 0.0012 C.1 1 UNL1 0.0933 15 C -3.9280 1.2778 0.0107 C.1 1 UNL1 -0.1032 16 C -4.7300 2.3871 0.0227 C.1 1 UNL1 0.1669 17 N -5.4087 3.3278 0.0333 N.1 1 UNL1 -0.2080 18 C -2.8884 -2.0672 -0.0143 C.1 1 UNL1 0.5906 19 O -3.3457 -3.1176 -0.0222 O.2 1 UNL1 -0.1159 @BOND 1 8 7 2 2 11 5 1 3 11 12 1 4 5 6 1 5 19 18 2 6 6 1 1 7 18 13 2 8 12 13 1 9 12 10 2 10 13 14 1 11 1 7 1 12 1 2 2 13 7 9 1 14 14 15 3 15 10 4 1 16 15 16 1 17 4 3 2 18 2 3 1 19 16 17 3