PCMODEL  v9.1   1.00000     0.00000

  8  7  0  0  0  0              1 V2000
    0.8389    2.1747    3.3665 C   0  0  0  0  0  0 
    1.2594    1.3322    2.1793 C   0  0  0  0  0  0 
    1.7360    2.5135    0.4996 I   0  0  0  0  0  0 
    0.2097    0.5398    1.8249 F   0  0  0  0  0  0 
    1.6434    2.8386    3.6986 H   0  0  0  0  0  0 
   -0.0404    2.7841    3.1309 H   0  0  0  0  0  0 
    0.5580    1.5265    4.2033 H   0  0  0  0  0  0 
    2.0894    0.6752    2.4556 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>
0.760005

$$$$