3_nitrotoluene
    17
   1.8850000  -1.0360000  -0.1120000   0.8070000  -0.4630000   0.5610000
   2.9210000  -1.6310000   0.6080000   1.8000000  -1.0790000   2.6760000
   0.7640000  -0.4840000   1.9550000   2.8780000  -1.6520000   2.0020000
  -0.3890000   0.1300000   2.6750000   3.9320000  -2.2590000   2.7350000
   4.8920000  -2.7700000   2.1100000   3.8750000  -2.2670000   3.9890000
   1.9180000  -1.0190000  -1.1980000   0.0050000  -0.0010000  -0.0090000
   3.7560000  -2.0740000   0.0710000   1.7620000  -1.0930000   3.7630000
  -1.1820000  -0.6130000   2.8300000  -0.0850000   0.5230000   3.6530000
  -0.8080000   0.9730000   2.1100000