methanol@0
     6
   0.2830000   0.7680000   0.7240000  -0.3110000   2.0010000   0.3620000
  -0.0650000   0.4720000   1.7160000   1.3710000   0.8740000   0.7240000
  -0.0070000   0.0070000  -0.0040000   0.0220000   2.2300000  -0.5220000