@MOLECULE 1-(4,5-dimethoxy-2-nitrophenyl)diazoethane 28 28 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.9356 -1.2664 0.2234 O.3 1 UNL1 -0.2838 2 O 2.9689 1.4507 0.4913 O.3 1 UNL1 -0.2935 3 O -1.5740 2.8893 -0.5131 O.2 1 UNL1 -0.3933 4 O -2.8427 1.2927 0.1550 O.2 1 UNL1 -0.4373 5 N -1.7437 1.7425 -0.1338 N.pl3 1 UNL1 0.6533 6 N -2.9359 -1.1545 0.4875 N.3 1 UNL1 0.3510 7 N -3.8235 -1.1395 1.1918 N.3 1 UNL1 -0.1294 8 C -0.6742 -0.5116 -0.0980 C.ar 1 UNL1 0.1737 9 C -0.5838 0.8849 -0.0173 C.ar 1 UNL1 -0.1613 10 C 1.7414 -0.6426 0.1326 C.ar 1 UNL1 0.2260 11 C 0.5107 -1.2648 -0.0268 C.ar 1 UNL1 -0.3228 12 C 1.8164 0.7728 0.2128 C.ar 1 UNL1 0.0842 13 C 0.6600 1.5250 0.1316 C.ar 1 UNL1 -0.0986 14 C -1.9078 -1.2528 -0.3059 C.3 1 UNL1 -0.2908 15 C -1.9960 -2.1862 -1.4709 C.3 1 UNL1 -0.3758 16 C 2.9328 -2.6900 0.1811 C.3 1 UNL1 -0.2104 17 C 4.0167 1.2378 -0.4520 C.3 1 UNL1 -0.2050 18 H 0.4373 -2.3490 -0.0845 H 1 UNL1 0.1814 19 H 0.7190 2.6202 0.1833 H 1 UNL1 0.2054 20 H -1.7601 -3.2215 -1.1875 H 1 UNL1 0.1458 21 H -1.2913 -1.8900 -2.2640 H 1 UNL1 0.1645 22 H -2.9946 -2.1829 -1.9325 H 1 UNL1 0.1552 23 H 4.0006 -2.9227 0.2969 H 1 UNL1 0.1569 24 H 2.5612 -3.0526 -0.7819 H 1 UNL1 0.1382 25 H 2.3605 -3.1054 1.0171 H 1 UNL1 0.1434 26 H 4.7350 2.0228 -0.1810 H 1 UNL1 0.1512 27 H 3.6662 1.3720 -1.4783 H 1 UNL1 0.1330 28 H 4.4633 0.2480 -0.3135 H 1 UNL1 0.1388 @BOND 1 21 15 1 2 22 15 1 3 27 17 1 4 15 20 1 5 15 14 1 6 24 16 1 7 3 5 2 8 17 28 1 9 17 26 1 10 17 2 1 11 14 8 1 12 14 6 1 13 5 9 1 14 5 4 2 15 8 11 ar 16 8 9 ar 17 18 11 1 18 11 10 ar 19 9 13 ar 20 13 19 1 21 13 12 ar 22 10 12 ar 23 10 1 1 24 16 1 1 25 16 23 1 26 16 25 1 27 12 2 1 28 6 7 1