@MOLECULE ethyl 5-cyano-2-ethyl-6-oxo-1,6-dihydro-3-pyridinecarboxylate 28 28 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.2281 -0.9613 0.0212 O.3 1 UNL1 -0.4320 2 O 3.7617 0.3719 -0.0297 O.2 1 UNL1 -0.4472 3 O -2.4795 1.2154 -0.4331 O.2 1 UNL1 -0.5399 4 N 1.7990 1.4487 -0.1864 N.ar 1 UNL1 -0.4966 5 N 3.0515 -3.2097 0.1988 N.1 1 UNL1 -0.2381 6 C 0.4363 1.4805 -0.2325 C.ar 1 UNL1 0.3810 7 C -0.1893 2.8391 -0.3315 C.3 1 UNL1 -0.3125 8 C -0.2802 0.2849 -0.1696 C.ar 1 UNL1 -0.3826 9 C 0.4106 -0.9469 -0.0543 C.ar 1 UNL1 0.1122 10 C -0.5907 3.3167 1.0639 C.3 1 UNL1 -0.4206 11 C 1.7801 -0.9849 -0.0060 C.ar 1 UNL1 -0.2746 12 C 2.5652 0.2310 -0.0665 C.ar 1 UNL1 0.5942 13 C -1.7418 0.2819 -0.2180 C.2 1 UNL1 0.6453 14 C -3.6593 -1.0980 -0.0243 C.3 1 UNL1 0.0151 15 C -3.8906 -2.5727 0.2576 C.3 1 UNL1 -0.4627 16 C 2.4856 -2.2038 0.1065 C.1 1 UNL1 0.1518 17 H 0.4812 3.5769 -0.8173 H 1 UNL1 0.1578 18 H -1.0964 2.8056 -0.9884 H 1 UNL1 0.2090 19 H 2.3371 2.3183 -0.2212 H 1 UNL1 0.3312 20 H -0.1700 -1.8810 -0.0054 H 1 UNL1 0.1885 21 H -1.0211 4.3260 1.0244 H 1 UNL1 0.1580 22 H 0.2578 3.3443 1.7562 H 1 UNL1 0.1481 23 H -1.3632 2.6652 1.4999 H 1 UNL1 0.1669 24 H -4.0974 -0.4349 0.7420 H 1 UNL1 0.1338 25 H -4.0092 -0.7863 -1.0241 H 1 UNL1 0.1348 26 H -4.9595 -2.8147 0.2386 H 1 UNL1 0.1550 27 H -3.3881 -3.2068 -0.4854 H 1 UNL1 0.1620 28 H -3.4970 -2.8594 1.2421 H 1 UNL1 0.1618 @BOND 1 25 14 1 2 18 7 1 3 17 7 1 4 27 15 1 5 3 13 2 6 7 6 1 7 7 10 1 8 6 4 ar 9 6 8 ar 10 19 4 1 11 13 8 1 12 13 1 1 13 4 12 ar 14 8 9 ar 15 12 2 2 16 12 11 ar 17 9 11 ar 18 9 20 1 19 14 1 1 20 14 15 1 21 14 24 1 22 11 16 1 23 16 5 3 24 26 15 1 25 15 28 1 26 21 10 1 27 10 23 1 28 10 22 1