REMARK
REMARK TITLE MOLECULE
REMARK CHARGE-VALUE 0
REMARK MULTIPLICITY-VALUE 1
REMARK
REMARK REORIENT 1 5 8 | 8 5 1
REMARK
ATOM      1  C1  TFE     1     -0.419   0.006  -0.000          C1
ATOM      2  F1  TFE     1     -1.405   0.893  -0.000          F11
ATOM      3  F1  TFE     1     -0.565  -0.756  -1.066          F12
ATOM      4  F1  TFE     1     -0.565  -0.756   1.066          F13
ATOM      5 CT2  TFE     1      0.903   0.732  -0.000          C2
ATOM      6  H2  TFE     1      0.928   1.362  -0.883          H21
ATOM      7  H2  TFE     1      0.928   1.362   0.883          H22
ATOM      8  O3  TFE     1      1.912  -0.224   0.000          O3
ATOM      9  H3  TFE     1      2.759   0.200   0.000          H3
CONECT    1    2    3    4    5  
CONECT    2    1  
CONECT    3    1  
CONECT    4    1  
CONECT    5    1    6    7    8  
CONECT    6    5  
CONECT    7    5  
CONECT    8    5    9  
CONECT    9    8  
END