3_nitroaniline
    16
   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
  -0.3270000   0.0960000   2.6360000   3.9340000  -2.2560000   2.7350000
   4.8960000  -2.7640000   2.1080000   3.8780000  -2.2640000   3.9880000
   1.9190000  -1.0190000  -1.1980000   0.0050000  -0.0020000  -0.0100000
   3.7560000  -2.0740000   0.0710000   1.7640000  -1.0940000   3.7630000
  -1.0390000   0.5600000   2.1100000  -0.3220000   0.1160000   3.6360000