COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.969  -1.779   3.482  1.00  0.00           C  
HETATM    2  C   UNL     1       0.522  -2.654   2.509  1.00  0.00           C  
HETATM    3  C   UNL     1       0.585  -2.303   1.169  1.00  0.00           C  
HETATM    4  C   UNL     1       1.097  -1.068   0.816  1.00  0.00           C  
HETATM    5  C   UNL     1       1.580  -0.203   1.785  1.00  0.00           C  
HETATM    6  C   UNL     1       1.502  -0.546   3.127  1.00  0.00           C  
HETATM    7  C   UNL     1       0.304   0.533  -0.892  1.00  0.00           C  
HETATM    8  C   UNL     1       1.925   3.352   1.313  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.667   0.838   0.618  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.128   0.257  -0.514  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.981   0.588   0.967  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.760  -0.247   0.179  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.903  -0.577  -1.303  1.00  0.00           C  
HETATM   14  C   UNL     1       2.232   5.815   1.107  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.551  -0.896   1.294  1.00  0.00           C  
HETATM   16  O   UNL     1       1.942   0.314   4.084  1.00  0.00           O  
HETATM   17  C   UNL     1       1.854  -1.235  -1.424  1.00  0.00           C  
HETATM   18  C   UNL     1       2.671  -2.400  -1.039  1.00  0.00           C  
HETATM   19  C   UNL     1       3.477  -3.129  -1.857  1.00  0.00           C  
HETATM   20  C   UNL     1       3.578  -3.957   0.150  1.00  0.00           C  
HETATM   21  C   UNL     1       3.957  -4.835   1.314  1.00  0.00           C  
HETATM   22  C   UNL     1       3.705  -2.899  -3.329  1.00  0.00           C  
HETATM   23  F   UNL     1      -1.375  -1.143  -2.409  1.00  0.00           F  
HETATM   24  C   UNL     1      -3.219  -0.829  -0.957  1.00  0.00           C  
HETATM   25  O   UNL     1      -5.052  -0.494   0.521  1.00  0.00           O  
HETATM   26  C   UNL     1      -5.795  -1.363  -0.336  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.196  -1.518   0.198  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.187  -2.390  -0.529  1.00  0.00           C  
HETATM   29  N   UNL     1       1.099  -0.607  -0.502  1.00  0.00           N  
HETATM   30  N   UNL     1       2.764  -2.946   0.204  1.00  0.00           N  
HETATM   31  O   UNL     1       4.031  -4.093  -1.104  1.00  0.00           O  
HETATM   32  O   UNL     1       1.863  -0.841  -2.575  1.00  0.00           O  
HETATM   33  C   UNL     1       0.705   1.863  -0.286  1.00  0.00           C  
HETATM   34  S   UNL     1      -0.069   3.255  -1.079  1.00  0.00           S  
HETATM   35  O   UNL     1      -1.456   2.947  -1.050  1.00  0.00           O  
HETATM   36  O   UNL     1       0.626   3.388  -2.311  1.00  0.00           O  
HETATM   37  C   UNL     1       0.293   4.658   0.011  1.00  0.00           C  
HETATM   38  C   UNL     1       1.779   4.542   0.389  1.00  0.00           C  
HETATM   39  C   UNL     1       2.621   4.329  -0.870  1.00  0.00           C  
HETATM   40  C   UNL     1       1.543   2.024   0.701  1.00  0.00           C  
HETATM   41  N   UNL     1       2.178   0.964   1.339  1.00  0.00           N  
HETATM   42  H   UNL     1       0.898  -2.054   4.524  1.00  0.00           H  
HETATM   43  H   UNL     1       0.122  -3.616   2.794  1.00  0.00           H  
HETATM   44  H   UNL     1       0.237  -2.988   0.410  1.00  0.00           H  
HETATM   45  H   UNL     1       0.355   0.628  -1.976  1.00  0.00           H  
HETATM   46  H   UNL     1       2.964   3.295   1.638  1.00  0.00           H  
HETATM   47  H   UNL     1       1.302   3.519   2.191  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.060   1.485   1.234  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.401   1.042   1.852  1.00  0.00           H  
HETATM   50  H   UNL     1       3.277   5.714   1.401  1.00  0.00           H  
HETATM   51  H   UNL     1       2.124   6.668   0.438  1.00  0.00           H  
HETATM   52  H   UNL     1       1.618   5.970   1.995  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.555  -1.007   1.677  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.841  -0.271   1.815  1.00  0.00           H  
HETATM   55  H   UNL     1       2.874   0.202   4.316  1.00  0.00           H  
HETATM   56  H   UNL     1       3.260  -5.671   1.382  1.00  0.00           H  
HETATM   57  H   UNL     1       4.968  -5.217   1.168  1.00  0.00           H  
HETATM   58  H   UNL     1       3.918  -4.254   2.236  1.00  0.00           H  
HETATM   59  H   UNL     1       4.547  -2.219  -3.464  1.00  0.00           H  
HETATM   60  H   UNL     1       3.924  -3.849  -3.816  1.00  0.00           H  
HETATM   61  H   UNL     1       2.811  -2.461  -3.771  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.824  -1.480  -1.572  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.834  -0.938  -1.339  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.310  -2.339  -0.373  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.728  -1.792  -1.261  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.658  -3.196  -1.037  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.892  -2.813   0.187  1.00  0.00           H  
HETATM   68  H   UNL     1       0.113   5.596  -0.515  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.326   4.606   0.906  1.00  0.00           H  
HETATM   70  H   UNL     1       2.284   3.430  -1.385  1.00  0.00           H  
HETATM   71  H   UNL     1       2.512   5.189  -1.530  1.00  0.00           H  
HETATM   72  H   UNL     1       3.669   4.216  -0.591  1.00  0.00           H  
HETATM   73  H   UNL     1       3.133   1.049   1.485  1.00  0.00           H  
CONECT    1    2    2    6   42                                       
CONECT    2    1    1    3   43                                       
CONECT    3    2    4    4   44                                       
CONECT    4    3    3    5   29                                       
CONECT    5    4    6    6   41                                       
CONECT    6    1    5    5   16                                       
CONECT    7   10   29   33   45                                       
CONECT    8   38   40   46   47                                       
CONECT    9   10   10   11   48                                       
CONECT   10    7    9    9   13                                       
CONECT   11    9   12   12   49                                       
CONECT   12   11   11   24   25                                       
CONECT   13   10   23   24   24                                       
CONECT   14   38   50   51   52                                       
CONECT   15   27   27   53   54                                       
CONECT   16    6   55                                                 
CONECT   17   18   29   32   32                                       
CONECT   18   17   19   19   30                                       
CONECT   19   18   18   22   31                                       
CONECT   20   21   30   30   31                                       
CONECT   21   20   56   57   58                                       
CONECT   22   19   59   60   61                                       
CONECT   23   13                                                      
CONECT   24   12   13   13   62                                       
CONECT   25   12   26                                                 
CONECT   26   25   27   63   64                                       
CONECT   27   15   15   26   28                                       
CONECT   28   27   65   66   67                                       
CONECT   29    4    7   17                                            
CONECT   30   18   20   20                                            
CONECT   31   19   20                                                 
CONECT   32   17   17                                                 
CONECT   33    7   34   40   40                                       
CONECT   34   33   35   35   36                                       
CONECT   34   36   37                                                 
CONECT   35   34   34                                                 
CONECT   36   34   34                                                 
CONECT   37   34   38   68   69                                       
CONECT   38    8   14   37   39                                       
CONECT   39   38   70   71   72                                       
CONECT   40    8   33   33   41                                       
CONECT   41    5   40   73                                            
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   11                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   24                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   28                                                      
CONECT   68   37                                                      
CONECT   69   37                                                      
CONECT   70   39                                                      
CONECT   71   39                                                      
CONECT   72   39                                                      
CONECT   73   41                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
