1_nitrobutane
    16
  -0.5190000   0.9400000  -0.2130000  -1.0730000   1.5380000   1.0710000
  -1.7900000   2.8640000   0.8060000  -2.3980000   3.4560000   2.0690000
  -3.0740000   4.7120000   1.7440000  -2.4250000   5.7730000   1.8460000
  -4.2610000   4.6550000   1.3650000   0.1800000   1.6290000  -0.6960000
   0.0150000   0.0090000   0.0020000  -1.3240000   0.7140000  -0.9200000
  -1.7680000   0.8250000   1.5290000  -0.2490000   1.6880000   1.7780000
  -1.0850000   3.5800000   0.3650000  -2.5890000   2.7020000   0.0730000
  -1.6370000   3.6540000   2.8300000  -3.1410000   2.7730000   2.4930000