111_trichloroethane
     8
   1.0240000   0.2810000  -0.2700000   1.2870000   1.7560000   0.0010000
   0.1600000   2.7550000  -0.9570000   1.0480000   2.1020000   1.7370000
   2.9650000   2.1640000  -0.4530000   1.7030000  -0.3600000   0.3050000
  -0.0000000   0.0000000  -0.0000000   1.1630000   0.0370000  -1.3310000