COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1       4.782   4.231   0.742  1.00  0.00           F  
HETATM    2  C   UNL     1       3.975   3.622  -0.226  1.00  0.00           C  
HETATM    3  F   UNL     1       2.682   4.150  -0.153  1.00  0.00           F  
HETATM    4  F   UNL     1       4.507   3.866  -1.497  1.00  0.00           F  
HETATM    5  C   UNL     1       3.927   2.137   0.022  1.00  0.00           C  
HETATM    6  C   UNL     1       3.761   1.264  -1.037  1.00  0.00           C  
HETATM    7  C   UNL     1       3.716  -0.098  -0.809  1.00  0.00           C  
HETATM    8  C   UNL     1       4.055   1.646   1.308  1.00  0.00           C  
HETATM    9  C   UNL     1       4.011   0.283   1.536  1.00  0.00           C  
HETATM   10  C   UNL     1       3.837  -0.589   0.477  1.00  0.00           C  
HETATM   11  S   UNL     1       3.782  -2.326   0.767  1.00  0.00           S  
HETATM   12  O   UNL     1       4.151  -2.949  -0.455  1.00  0.00           O  
HETATM   13  O   UNL     1       4.467  -2.550   1.992  1.00  0.00           O  
HETATM   14  N   UNL     1       2.198  -2.727   1.037  1.00  0.00           N  
HETATM   15  C   UNL     1       1.237  -2.491   0.046  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.047  -2.101   0.403  1.00  0.00           C  
HETATM   17  F   UNL     1      -0.371  -1.948   1.705  1.00  0.00           F  
HETATM   18  C   UNL     1       1.571  -2.643  -1.293  1.00  0.00           C  
HETATM   19  C   UNL     1       0.628  -2.411  -2.278  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.655  -2.027  -1.937  1.00  0.00           C  
HETATM   21  F   UNL     1      -1.572  -1.802  -2.903  1.00  0.00           F  
HETATM   22  C   UNL     1      -1.002  -1.867  -0.591  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.371  -1.456  -0.221  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.202  -2.298   0.065  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.730  -0.033  -0.199  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.891   1.026  -0.400  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.068   0.537   0.038  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.916   1.932  -0.042  1.00  0.00           C  
HETATM   29  N   UNL     1      -2.587   2.185  -0.303  1.00  0.00           N  
HETATM   30  N   UNL     1      -4.968   2.720   0.131  1.00  0.00           N  
HETATM   31  C   UNL     1      -6.165   2.232   0.380  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.386   0.867   0.473  1.00  0.00           C  
HETATM   33 CL   UNL     1      -7.977   0.256   0.802  1.00  0.00          Cl  
HETATM   34  C   UNL     1      -5.324  -0.005   0.301  1.00  0.00           C  
HETATM   35  H   UNL     1       3.666   1.647  -2.042  1.00  0.00           H  
HETATM   36  H   UNL     1       3.586  -0.780  -1.637  1.00  0.00           H  
HETATM   37  H   UNL     1       4.189   2.328   2.135  1.00  0.00           H  
HETATM   38  H   UNL     1       4.111  -0.100   2.541  1.00  0.00           H  
HETATM   39  H   UNL     1       1.935  -3.125   1.882  1.00  0.00           H  
HETATM   40  H   UNL     1       2.572  -2.943  -1.567  1.00  0.00           H  
HETATM   41  H   UNL     1       0.895  -2.530  -3.318  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.834   0.952  -0.604  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.204   3.070  -0.408  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.994   2.911   0.515  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.465  -1.074   0.367  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    5    3    1    4                                       
CONECT    3    2                                                      
CONECT    4    2                                                      
CONECT    5    8    8    6    2                                       
CONECT    6    7    7    5   35                                       
CONECT    7   10    6    6   36                                       
CONECT    8    9    5    5   37                                       
CONECT    9   10   10    8   38                                       
CONECT   10   11    9    9    7                                       
CONECT   11   12   12   14   13                                       
CONECT   11   13   10                                                 
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14   15   11   39                                            
CONECT   15   18   18   16   14                                       
CONECT   16   22   22   15   17                                       
CONECT   17   16                                                      
CONECT   18   19   15   15   40                                       
CONECT   19   20   20   18   41                                       
CONECT   20   21   19   19   22                                       
CONECT   21   20                                                      
CONECT   22   20   23   16   16                                       
CONECT   23   25   24   24   22                                       
CONECT   24   23   23                                                 
CONECT   25   27   26   26   23                                       
CONECT   26   29   25   25   42                                       
CONECT   27   34   34   28   25                                       
CONECT   28   30   30   27   29                                       
CONECT   29   28   26   43                                            
CONECT   30   31   28   28                                            
CONECT   31   32   32   30   44                                       
CONECT   32   33   31   31   34                                       
CONECT   33   32                                                      
CONECT   34   32   27   27   45                                       
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   14                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   26                                                      
CONECT   43   29                                                      
CONECT   44   31                                                      
CONECT   45   34                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
