2_nitrotoluene
    17
   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
   4.0040000  -2.2960000   2.7450000   1.7350000  -1.0880000   4.0960000
   0.7480000  -0.5610000   4.6620000   2.6670000  -1.6230000   4.7420000
   1.9190000  -1.0200000  -1.1980000   0.0000000  -0.0000000  -0.0000000
   3.7570000  -2.0740000   0.0730000  -0.0840000  -0.0330000   2.4660000
   4.7860000  -1.5590000   2.9620000   3.6580000  -2.7290000   3.6910000
   4.4450000  -3.1140000   2.1620000