nitrobenzene 14 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 1.7560000 -1.1000000 4.0950000 0.7770000 -0.5780000 4.6810000 2.6980000 -1.6400000 4.7240000 1.9180000 -1.0200000 -1.1980000 0.0000000 0.0000000 0.0010000 3.7610000 -2.0770000 0.0840000 -0.0830000 -0.0330000 2.4680000 3.6920000 -2.1180000 2.5520000