@MOLECULE ethyl 5-cyano-2-methyl-6-oxo-1,6-dihydro-3-pyridinecarboxylate 25 25 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.3750 -0.4077 0.3719 O.3 1 UNL1 -0.4140 2 O 3.5175 1.0631 0.6409 O.2 1 UNL1 -0.4523 3 O -2.1649 -0.1542 -1.8498 O.2 1 UNL1 -0.4842 4 N 1.4068 1.7192 0.2638 N.ar 1 UNL1 -0.4951 5 N 3.7087 -2.5315 0.0005 N.1 1 UNL1 -0.2331 6 C 0.1052 1.4659 -0.0680 C.ar 1 UNL1 0.3707 7 C -0.2787 0.1734 -0.3894 C.ar 1 UNL1 -0.3552 8 C 0.6605 -0.8817 -0.3782 C.ar 1 UNL1 0.0995 9 C 1.9680 -0.6400 -0.0408 C.ar 1 UNL1 -0.2580 10 C -0.8293 2.6249 -0.0635 C.3 1 UNL1 -0.4940 11 C 2.4177 0.6932 0.3125 C.ar 1 UNL1 0.5931 12 C -1.6725 -0.1347 -0.7520 C.2 1 UNL1 0.6183 13 C -3.7513 -0.7812 0.1899 C.3 1 UNL1 -0.0003 14 C -4.2666 -0.9743 1.6060 C.3 1 UNL1 -0.4616 15 C 2.9310 -1.6736 -0.0164 C.1 1 UNL1 0.1481 16 H 0.3285 -1.8937 -0.6427 H 1 UNL1 0.1769 17 H 1.7057 2.6659 0.5030 H 1 UNL1 0.3306 18 H -1.8597 2.3410 -0.3410 H 1 UNL1 0.1909 19 H -0.5255 3.4050 -0.7827 H 1 UNL1 0.1876 20 H -0.9008 3.0968 0.9310 H 1 UNL1 0.1851 21 H -4.2698 0.0272 -0.3530 H 1 UNL1 0.1319 22 H -3.7832 -1.7063 -0.4120 H 1 UNL1 0.1369 23 H -5.3157 -1.2918 1.6059 H 1 UNL1 0.1562 24 H -3.6830 -1.7357 2.1427 H 1 UNL1 0.1642 25 H -4.1923 -0.0481 2.1908 H 1 UNL1 0.1577 @BOND 1 3 12 2 2 19 10 1 3 12 7 1 4 12 1 1 5 16 8 1 6 22 13 1 7 7 8 ar 8 7 6 ar 9 8 9 ar 10 21 13 1 11 18 10 1 12 6 10 1 13 6 4 ar 14 10 20 1 15 9 15 1 16 9 11 ar 17 15 5 3 18 13 1 1 19 13 14 1 20 4 11 ar 21 4 17 1 22 11 2 2 23 23 14 1 24 14 24 1 25 14 25 1