111_trifluoropropan_2_ol
    12
   0.0800000   0.6410000  -0.8830000   0.6190000  -0.1280000  -2.0800000
   0.8240000   0.7690000  -3.2820000   1.8730000  -0.7090000  -1.7380000
  -0.3450000   1.3080000  -3.6910000   1.6590000   1.7890000  -2.9850000
   1.3530000   0.0920000  -4.3240000   0.7540000   1.4580000  -0.6040000
  -0.0570000  -0.0130000  -0.0170000  -0.8840000   1.1010000  -1.1260000
  -0.0690000  -0.9380000  -2.3420000   1.7090000  -1.3030000  -0.9890000