@MOLECULE 2,3-dicarboxy-4-(2-chlorophenyl)-1-ethyl-5-(isopropoxycarbonyl)-6-methylpyridinium 28 28 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -2.1595 -1.9285 -0.8279 Cl 1 UNL1 0.0397 2 O 3.5294 1.5292 0.0999 O.2 1 UNL1 -0.2365 3 O 3.1830 -0.5939 -0.5953 O.2 1 UNL1 -0.2606 4 O -4.3775 1.8814 -1.9030 O.2 1 UNL1 -0.3142 5 O -1.7325 0.2028 2.3791 O.2 2 UNL2 -0.3352 6 O -4.0586 0.4107 -0.1158 O.2 1 UNL1 -0.3444 7 O -2.2430 -2.0774 2.3847 O.2 2 UNL2 -0.3224 8 N -0.6136 2.6000 -0.0297 N.ar 1 UNL1 0.4419 9 C 0.7823 2.1941 0.2447 C.ar 1 UNL1 -0.4731 10 C 1.2498 0.8281 -0.0955 C.ar 1 UNL1 -0.1135 11 C 0.2494 -0.2524 -0.3889 C.ar 1 UNL1 -0.0033 12 C -1.2015 1.6226 -0.6315 C.ar 1 UNL1 -0.1845 13 C -0.8658 0.3848 -0.7436 C.ar 1 UNL1 0.0949 14 C -0.9910 3.8016 0.2953 C.1 1 UNL1 -0.7724 15 C 0.4700 -1.6591 -0.2717 C.2 1 UNL1 0.0202 16 C 1.5827 3.0893 0.8597 C.2 1 UNL1 0.5685 17 C 2.5657 0.5868 -0.2071 C.2 1 UNL1 0.2754 18 C -1.4239 4.9535 0.5872 C.1 1 UNL1 0.3202 19 C -4.2081 1.1499 -1.0096 C.1 1 UNL1 0.6591 20 C -1.9973 -0.9351 2.3759 C.1 2 UNL2 0.6584 21 C -0.6479 -2.5740 -0.4908 C.3 1 UNL1 0.0376 22 C 1.6278 -2.3362 0.0390 C.2 1 UNL1 -0.0269 23 C 4.7646 0.9087 -0.1526 C.2 1 UNL1 -0.5863 24 C -0.3509 -3.9046 -0.3738 C.2 1 UNL1 -0.1164 25 C 1.8368 -3.5927 0.1352 C.2 1 UNL1 -0.0058 26 C 5.9550 1.4776 -0.0172 C.3 1 UNL1 0.5356 27 C 4.4944 -0.4831 -0.5952 C.2 1 UNL1 0.3823 28 C 0.7893 -4.4013 -0.0778 C.2 1 UNL1 0.0618 @BOND 1 4 19 2 2 19 6 2 3 1 21 1 4 13 12 ar 5 13 11 ar 6 12 8 ar 7 3 27 1 8 3 17 1 9 27 23 2 10 21 24 1 11 21 15 1 12 11 15 2 13 11 10 ar 14 24 28 2 15 15 22 1 16 17 10 2 17 17 2 1 18 23 26 1 19 23 2 1 20 10 9 ar 21 28 25 1 22 8 9 ar 23 8 14 1 24 22 25 2 25 9 16 2 26 14 18 3 27 20 5 2 28 20 7 2