@MOLECULE dimethyl (2-nitrobenzylidene)malonate 19 17 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.8977 2.7252 1.1007 O.2 1 UNL1 -0.5358 2 O -2.7262 -1.3298 0.7368 O.2 2 UNL2 -0.6171 3 O 1.4616 -2.7270 0.9276 O.2 1 UNL1 -0.3993 4 O -0.2384 -1.5887 0.2811 O.2 1 UNL1 -0.6915 5 O -3.1466 2.0900 -0.1121 O.2 1 UNL1 -0.0871 6 O -1.8040 -1.8214 -1.7994 O.2 1 UNL1 -0.0612 7 N 1.0096 -1.6977 0.4534 N.pl3 1 UNL1 0.7231 8 C 1.2553 0.6068 -0.5305 C.2 1 UNL1 0.1817 9 C 1.8161 -0.6419 0.0916 C.3 1 UNL1 -0.3072 10 C -0.0327 0.7702 -0.7581 C.1 1 UNL1 -0.2252 11 C 2.2645 1.5520 -0.8512 C.2 1 UNL1 -0.1297 12 C 3.2046 -0.6428 0.2624 C.2 1 UNL1 0.0798 13 C -1.3830 0.4817 -0.8650 C.1 1 UNL1 -0.2867 14 C 3.5350 1.4327 -0.6398 C.2 1 UNL1 0.0478 15 C 4.0202 0.3088 -0.0624 C.2 1 UNL1 -0.1198 16 C -2.3332 1.3399 -0.3998 C.1 1 UNL1 0.6052 17 C -1.6490 -0.7997 -1.3174 C.1 1 UNL1 0.6645 18 C 0.1380 3.0571 1.4619 C.2 1 UNL1 0.5403 19 C -2.2207 -1.9531 1.5680 C.2 2 UNL2 0.6181 @BOND 1 6 17 2 2 17 13 2 3 13 10 2 4 13 16 2 5 11 14 2 6 11 8 1 7 10 8 2 8 14 15 1 9 8 9 1 10 16 5 2 11 15 12 2 12 9 12 1 13 9 7 1 14 4 7 2 15 7 3 2 16 2 19 2 17 1 18 2