COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.253   3.773  -1.756  1.00  0.00           C  
HETATM    2  O   UNL     1      -1.364   2.794  -1.213  1.00  0.00           O  
HETATM    3  C   UNL     1      -1.923   1.650  -0.736  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.295   1.474  -0.790  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.864   0.305  -0.303  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.057  -0.687   0.238  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.687  -0.513   0.293  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.115   0.651  -0.198  1.00  0.00           C  
HETATM    9  N   UNL     1       0.276   0.825  -0.147  1.00  0.00           N  
HETATM   10  C   UNL     1       1.112  -0.280  -0.113  1.00  0.00           C  
HETATM   11  N   UNL     1       2.414  -0.091   0.056  1.00  0.00           N  
HETATM   12  C   UNL     1       3.256  -1.119   0.095  1.00  0.00           C  
HETATM   13  N   UNL     1       4.614  -0.917   0.272  1.00  0.00           N  
HETATM   14  C   UNL     1       5.098   0.361   0.532  1.00  0.00           C  
HETATM   15  C   UNL     1       4.274   1.315   1.111  1.00  0.00           C  
HETATM   16  C   UNL     1       4.756   2.583   1.369  1.00  0.00           C  
HETATM   17  C   UNL     1       6.062   2.915   1.053  1.00  0.00           C  
HETATM   18  C   UNL     1       6.899   1.980   0.476  1.00  0.00           C  
HETATM   19  F   UNL     1       8.173   2.309   0.170  1.00  0.00           F  
HETATM   20  C   UNL     1       6.426   0.689   0.214  1.00  0.00           C  
HETATM   21  C   UNL     1       7.314  -0.316  -0.396  1.00  0.00           C  
HETATM   22  O   UNL     1       7.373  -0.420  -1.606  1.00  0.00           O  
HETATM   23  N   UNL     1       8.059  -1.121   0.387  1.00  0.00           N  
HETATM   24  C   UNL     1       2.735  -2.415  -0.046  1.00  0.00           C  
HETATM   25  C   UNL     1       3.304  -3.762  -0.059  1.00  0.00           C  
HETATM   26  C   UNL     1       2.281  -4.614  -0.235  1.00  0.00           C  
HETATM   27  N   UNL     1       1.105  -3.913  -0.335  1.00  0.00           N  
HETATM   28  C   UNL     1       1.348  -2.572  -0.224  1.00  0.00           C  
HETATM   29  N   UNL     1       0.580  -1.484  -0.246  1.00  0.00           N  
HETATM   30  N   UNL     1      -5.251   0.126  -0.357  1.00  0.00           N  
HETATM   31  C   UNL     1      -5.637  -1.174   0.208  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.148  -1.365   0.058  1.00  0.00           C  
HETATM   33  N   UNL     1      -7.848  -0.268   0.741  1.00  0.00           N  
HETATM   34  C   UNL     1      -7.462   1.033   0.176  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.950   1.223   0.326  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.303  -0.455   0.684  1.00  0.00           C  
HETATM   37  C   UNL     1      -9.991   0.635   1.509  1.00  0.00           C  
HETATM   38  C   UNL     1      -9.773  -0.367  -0.769  1.00  0.00           C  
HETATM   39  H   UNL     1      -1.679   4.634  -2.100  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.799   3.342  -2.596  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.958   4.090  -0.988  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.923   2.246  -1.211  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.501  -1.596   0.617  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.061  -1.285   0.715  1.00  0.00           H  
HETATM   45  H   UNL     1       0.654   1.718  -0.136  1.00  0.00           H  
HETATM   46  H   UNL     1       5.227  -1.666   0.216  1.00  0.00           H  
HETATM   47  H   UNL     1       3.253   1.066   1.361  1.00  0.00           H  
HETATM   48  H   UNL     1       4.109   3.322   1.819  1.00  0.00           H  
HETATM   49  H   UNL     1       6.428   3.910   1.258  1.00  0.00           H  
HETATM   50  H   UNL     1       8.011  -1.038   1.352  1.00  0.00           H  
HETATM   51  H   UNL     1       8.643  -1.783  -0.014  1.00  0.00           H  
HETATM   52  H   UNL     1       4.346  -4.022   0.051  1.00  0.00           H  
HETATM   53  H   UNL     1       2.370  -5.688  -0.289  1.00  0.00           H  
HETATM   54  H   UNL     1       0.230  -4.311  -0.464  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.115  -1.971  -0.322  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.370  -1.205   1.265  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.412  -1.361  -0.999  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.441  -2.316   0.503  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.729   1.063  -0.881  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.983   1.829   0.706  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.687   1.220   1.383  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.657   2.174  -0.119  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.560  -1.434   1.090  1.00  0.00           H  
HETATM   64  H   UNL     1     -11.071   0.496   1.467  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.657   0.572   2.545  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.734   1.613   1.104  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.283  -1.143  -1.357  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.853  -0.506  -0.812  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.516   0.612  -1.175  1.00  0.00           H  
CONECT    1    2   39   40   41                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    8                                       
CONECT    4    3    3    5   42                                       
CONECT    5    4    6    6   30                                       
CONECT    6    5    5    7   43                                       
CONECT    7    6    8    8   44                                       
CONECT    8    3    7    7    9                                       
CONECT    9    8   10   45                                            
CONECT   10    9   11   11   29                                       
CONECT   11   10   10   12                                            
CONECT   12   11   13   24   24                                       
CONECT   13   12   14   46                                            
CONECT   14   13   15   15   20                                       
CONECT   15   14   14   16   47                                       
CONECT   16   15   17   17   48                                       
CONECT   17   16   16   18   49                                       
CONECT   18   17   19   20   20                                       
CONECT   19   18                                                      
CONECT   20   14   18   18   21                                       
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   50   51                                            
CONECT   24   12   12   25   28                                       
CONECT   25   24   26   26   52                                       
CONECT   26   25   25   27   53                                       
CONECT   27   26   28   54                                            
CONECT   28   24   27   29   29                                       
CONECT   29   10   28   28                                            
CONECT   30    5   31   35                                            
CONECT   31   30   32   55   56                                       
CONECT   32   31   33   57   58                                       
CONECT   33   32   34   36                                            
CONECT   34   33   35   59   60                                       
CONECT   35   30   34   61   62                                       
CONECT   36   33   37   38   63                                       
CONECT   37   36   64   65   66                                       
CONECT   38   36   67   68   69                                       
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    4                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    9                                                      
CONECT   46   13                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   31                                                      
CONECT   56   31                                                      
CONECT   57   32                                                      
CONECT   58   32                                                      
CONECT   59   34                                                      
CONECT   60   34                                                      
CONECT   61   35                                                      
CONECT   62   35                                                      
CONECT   63   36                                                      
CONECT   64   37                                                      
CONECT   65   37                                                      
CONECT   66   37                                                      
CONECT   67   38                                                      
CONECT   68   38                                                      
CONECT   69   38                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
