1_nitropentane
    19
   0.0750000  -0.7110000   0.8670000   1.3440000  -0.4150000   1.6510000
   2.5930000  -0.6240000   0.7950000   3.8690000  -0.3580000   1.5970000
   5.1060000  -0.5260000   0.7270000   6.2990000  -0.2290000   1.5240000
   6.7260000   0.9430000   1.5250000   6.8120000  -1.1610000   2.1750000
   0.0180000  -0.0680000  -0.0180000   0.0550000  -1.7520000   0.5310000
  -0.8150000  -0.5280000   1.4770000   1.3830000  -1.0680000   2.5300000
   1.3100000   0.6180000   2.0140000   2.5600000   0.0450000  -0.0740000
   2.6080000  -1.6510000   0.4110000   3.9130000  -1.0450000   2.4520000
   3.8350000   0.6580000   2.0120000   5.1050000   0.1620000  -0.1220000
   5.2080000  -1.5530000   0.3630000