2_nitroaniline 16 1.8850000 -1.0360000 -0.1120000 0.8070000 -0.4630000 0.5610000 2.9210000 -1.6310000 0.6080000 0.7640000 -0.4840000 1.9550000 2.8780000 -1.6520000 2.0020000 1.8000000 -1.0790000 2.6760000 3.9400000 -2.2600000 2.7090000 1.7310000 -1.0860000 4.0970000 0.7430000 -0.5570000 4.6580000 2.6620000 -1.6200000 4.7450000 1.9180000 -1.0200000 -1.1980000 0.0000000 -0.0000000 -0.0000000 3.7560000 -2.0740000 0.0720000 -0.0830000 -0.0330000 2.4660000 4.6740000 -2.7030000 2.1960000 3.8890000 -2.3190000 3.7040000