1_nitropropane
    13
   1.0420000   0.0280000  -0.3330000   1.4380000   1.4520000  -0.6970000
   2.8930000   1.5600000  -1.1250000   3.2100000   2.9560000  -1.4300000
   3.6400000   3.6760000  -0.5060000   3.0510000   3.3490000  -2.6030000
   1.1930000  -0.6490000  -1.1800000   1.6530000  -0.3310000   0.5010000
  -0.0080000  -0.0290000  -0.0300000   1.2730000   2.0970000   0.1740000
   0.7830000   1.8130000  -1.4990000   3.5550000   1.2330000  -0.3190000
   3.0990000   0.9530000  -2.0120000