PCMODEL  v9.1   1.00000     0.00000

  8  7  0  0  0  0              1 V2000
    2.6060    0.8756    2.4644 C   0  0  0  0  0  0 
    1.1966    1.3653    2.1995 C   0  0  0  0  0  0 
    1.1629    2.9730    0.8354 I   0  0  0  0  0  0 
    0.4898    0.3476    1.6341 F   0  0  0  0  0  0 
    3.2282    1.6550    2.9155 H   0  0  0  0  0  0 
    2.5814    0.0168    3.1434 H   0  0  0  0  0  0 
    3.0889    0.5344    1.5422 H   0  0  0  0  0  0 
    0.7025    1.6272    3.1398 H   0  0  0  0  0  0 
  1  2  1  0
  1  5  1  0
  1  6  1  0
  1  7  1  0
  2  3  1  0
  2  4  1  0
  2  8  1  0
M  END
> <title>

> <MMFF94 energy>
0.759890

$$$$