@MOLECULE 6-oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile 22 23 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.7472 1.1896 -0.1922 O.2 1 UNL1 -0.4556 2 N -1.6088 1.8658 -0.2964 N.ar 1 UNL1 -0.4623 3 N 4.3912 -0.4354 0.0405 N.ar 1 UNL1 -0.3716 4 N -3.7742 -2.3955 0.4191 N.1 1 UNL1 -0.2242 5 C 0.2008 0.3258 -0.0479 C.ar 1 UNL1 -0.2394 6 C 1.6390 0.0659 -0.0143 C.ar 1 UNL1 0.0906 7 C -0.7195 -0.7394 0.1281 C.ar 1 UNL1 0.0586 8 C -0.2716 1.6083 -0.2530 C.ar 1 UNL1 0.1444 9 C -2.0678 -0.4996 0.0939 C.ar 1 UNL1 -0.2322 10 C 2.1957 -0.9273 -0.8247 C.ar 1 UNL1 -0.2549 11 C 2.4783 0.8039 0.8254 C.ar 1 UNL1 -0.2652 12 C -2.5947 0.8363 -0.1288 C.ar 1 UNL1 0.5782 13 C 3.5774 -1.1437 -0.7645 C.ar 1 UNL1 0.0632 14 C 3.8490 0.5187 0.8202 C.ar 1 UNL1 0.0634 15 C -3.0113 -1.5373 0.2721 C.1 1 UNL1 0.1391 16 H -0.3328 -1.7514 0.2976 H 1 UNL1 0.1756 17 H 0.4125 2.4579 -0.3949 H 1 UNL1 0.1745 18 H -1.9524 2.8133 -0.4570 H 1 UNL1 0.3299 19 H 1.5755 -1.5145 -1.4960 H 1 UNL1 0.1734 20 H 2.0796 1.5702 1.4824 H 1 UNL1 0.1681 21 H 4.0670 -1.9095 -1.3792 H 1 UNL1 0.1739 22 H 4.5527 1.0646 1.4607 H 1 UNL1 0.1725 @BOND 1 19 10 1 2 21 13 1 3 10 13 ar 4 10 6 ar 5 13 3 ar 6 18 2 1 7 17 8 1 8 2 8 ar 9 2 12 ar 10 8 5 ar 11 1 12 2 12 12 9 ar 13 5 6 1 14 5 7 ar 15 6 11 ar 16 3 14 ar 17 9 7 ar 18 9 15 1 19 7 16 1 20 15 4 3 21 14 11 ar 22 14 22 1 23 11 20 1