COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1       1.427   1.173   2.247  1.00  0.00           F  
HETATM    2  C   UNL     1       2.336   1.033   1.257  1.00  0.00           C  
HETATM    3  C   UNL     1       3.453   0.240   1.449  1.00  0.00           C  
HETATM    4  C   UNL     1       7.287  -1.053  -1.030  1.00  0.00           C  
HETATM    5  N   UNL     1       6.776  -0.142   0.016  1.00  0.00           N  
HETATM    6  C   UNL     1       4.383   0.097   0.436  1.00  0.00           C  
HETATM    7  C   UNL     1       4.200   0.745  -0.771  1.00  0.00           C  
HETATM    8  C   UNL     1       3.087   1.538  -0.970  1.00  0.00           C  
HETATM    9  C   UNL     1       2.147   1.680   0.041  1.00  0.00           C  
HETATM   10  N   UNL     1       1.015   2.479  -0.160  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.153   2.029  -0.653  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.374   0.881  -0.976  1.00  0.00           O  
HETATM   13  C   UNL     1       0.947   3.913   0.146  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.285   4.440  -0.622  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.150   3.163  -0.744  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.111   3.091   0.359  1.00  0.00           N  
HETATM   17  S   UNL     1      -3.582   2.366   0.131  1.00  0.00           S  
HETATM   18  C   UNL     1       5.393  -2.140  -0.025  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.258   2.428   1.379  1.00  0.00           O  
HETATM   20  O   UNL     1      -4.115   2.910  -1.069  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.279   0.660  -0.188  1.00  0.00           C  
HETATM   22  C   UNL     1       6.797  -2.459  -0.604  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.231  -0.218   0.851  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.097   0.229  -1.501  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.862  -1.082  -1.781  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.801  -2.017  -0.734  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.560  -3.379  -0.985  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.508  -4.256   0.055  1.00  0.00           C  
HETATM   29 CL   UNL     1      -2.210  -5.938  -0.259  1.00  0.00          Cl  
HETATM   30  C   UNL     1      -2.990  -1.579   0.600  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.935  -2.515   1.648  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.690  -3.824   1.368  1.00  0.00           C  
HETATM   33  C   UNL     1       5.600  -0.767   0.649  1.00  0.00           C  
HETATM   34  H   UNL     1       3.599  -0.267   2.392  1.00  0.00           H  
HETATM   35  H   UNL     1       6.873  -0.785  -2.002  1.00  0.00           H  
HETATM   36  H   UNL     1       8.376  -1.024  -1.059  1.00  0.00           H  
HETATM   37  H   UNL     1       7.490   0.060   0.700  1.00  0.00           H  
HETATM   38  H   UNL     1       6.722  -3.124  -1.465  1.00  0.00           H  
HETATM   39  H   UNL     1       7.447  -2.885   0.161  1.00  0.00           H  
HETATM   40  H   UNL     1       5.779  -0.899   1.716  1.00  0.00           H  
HETATM   41  H   UNL     1       4.929   0.631  -1.560  1.00  0.00           H  
HETATM   42  H   UNL     1       2.946   2.044  -1.914  1.00  0.00           H  
HETATM   43  H   UNL     1       0.817   4.064   1.217  1.00  0.00           H  
HETATM   44  H   UNL     1       1.851   4.415  -0.200  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.667   3.139  -1.704  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.804   5.207  -0.047  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.001   4.817  -1.605  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.885   3.468   1.224  1.00  0.00           H  
HETATM   49  H   UNL     1       4.654  -2.070  -0.823  1.00  0.00           H  
HETATM   50  H   UNL     1       5.099  -2.889   0.710  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.378   0.130   1.863  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.144   0.946  -2.307  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.723  -1.402  -2.804  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.418  -3.727  -1.998  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.644  -4.541   2.175  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.078  -2.196   2.669  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    9    9                                       
CONECT    3    2    6    6   34                                       
CONECT    4    5   22   35   36                                       
CONECT    5    4   33   37                                            
CONECT    6    3    3    7   33                                       
CONECT    7    6    8    8   41                                       
CONECT    8    7    7    9   42                                       
CONECT    9    2    2    8   10                                       
CONECT   10    9   11   13                                            
CONECT   11   10   12   12   15                                       
CONECT   12   11   11                                                 
CONECT   13   10   14   43   44                                       
CONECT   14   13   15   46   47                                       
CONECT   15   11   14   16   45                                       
CONECT   16   15   17   48                                            
CONECT   17   16   20   20   19                                       
CONECT   17   19   21                                                 
CONECT   18   22   33   49   50                                       
CONECT   19   17   17                                                 
CONECT   20   17   17                                                 
CONECT   21   17   23   24   24                                       
CONECT   22    4   18   38   39                                       
CONECT   23   21   30   30   51                                       
CONECT   24   21   21   25   52                                       
CONECT   25   24   26   26   53                                       
CONECT   26   25   25   27   30                                       
CONECT   27   26   28   28   54                                       
CONECT   28   27   27   29   32                                       
CONECT   29   28                                                      
CONECT   30   23   23   26   31                                       
CONECT   31   30   32   32   56                                       
CONECT   32   28   31   31   55                                       
CONECT   33    5    6   18   40                                       
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38   22                                                      
CONECT   39   22                                                      
CONECT   40   33                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   15                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   16                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   27                                                      
CONECT   55   32                                                      
CONECT   56   31                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
