COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.610   2.643  -1.905  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.083   3.564  -1.184  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.256   3.390   0.177  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.968   4.338   0.913  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.502   5.458   0.274  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.327   5.626  -1.083  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.614   4.688  -1.816  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.443   4.858  -3.153  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.156   4.156   2.369  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.968   5.020   3.072  1.00  0.00           N  
HETATM   11  N   UNL     1      -0.555   3.179   2.987  1.00  0.00           N  
HETATM   12  C   UNL     1       2.188   1.198  -0.880  1.00  0.00           C  
HETATM   13  F   UNL     1       3.198   1.821  -1.526  1.00  0.00           F  
HETATM   14  C   UNL     1       2.450   0.135  -0.017  1.00  0.00           C  
HETATM   15  C   UNL     1       1.376  -0.472   0.632  1.00  0.00           C  
HETATM   16  F   UNL     1       1.583  -1.505   1.478  1.00  0.00           F  
HETATM   17  C   UNL     1       0.092  -0.009   0.391  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.119   1.004  -0.436  1.00  0.00           N1+
HETATM   19  C   UNL     1       0.877   1.609  -1.067  1.00  0.00           C  
HETATM   20  N   UNL     1       3.757  -0.306   0.196  1.00  0.00           N  
HETATM   21  C   UNL     1       3.805  -1.706  -0.240  1.00  0.00           C  
HETATM   22  C   UNL     1       5.213  -2.265  -0.029  1.00  0.00           C  
HETATM   23  C   UNL     1       5.557  -2.214   1.463  1.00  0.00           C  
HETATM   24  C   UNL     1       5.392  -0.775   1.962  1.00  0.00           C  
HETATM   25  C   UNL     1       3.974  -0.293   1.647  1.00  0.00           C  
HETATM   26  C   UNL     1       5.267  -3.693  -0.508  1.00  0.00           C  
HETATM   27  O   UNL     1       6.410  -4.390  -0.416  1.00  0.00           O  
HETATM   28  O   UNL     1       4.280  -4.210  -0.977  1.00  0.00           O  
HETATM   29  O   UNL     1      -0.961  -0.596   1.015  1.00  0.00           O  
HETATM   30  C   UNL     1      -1.765  -1.096   0.040  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.456  -0.877  -1.295  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.271  -1.384  -2.291  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.397  -2.111  -1.963  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.716  -2.336  -0.623  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.897  -1.820   0.380  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.922  -3.115  -0.269  1.00  0.00           C  
HETATM   37  N   UNL     1      -5.742  -2.878   0.796  1.00  0.00           N  
HETATM   38  C   UNL     1      -5.595  -1.810   1.788  1.00  0.00           C  
HETATM   39  N   UNL     1      -5.383  -4.159  -0.921  1.00  0.00           N  
HETATM   40  C   UNL     1      -6.731  -3.823   0.758  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.489  -4.606  -0.314  1.00  0.00           C  
HETATM   42  H   UNL     1       0.158   2.523   0.668  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.054   6.192   0.842  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.741   6.493  -1.576  1.00  0.00           H  
HETATM   45  H   UNL     1       0.374   5.362  -3.268  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.481   5.695   2.601  1.00  0.00           H  
HETATM   47  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.735   3.015   3.926  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.027   1.311  -0.584  1.00  0.00           H  
HETATM   50  H   UNL     1       3.092  -2.291   0.340  1.00  0.00           H  
HETATM   51  H   UNL     1       3.546  -1.765  -1.297  1.00  0.00           H  
HETATM   52  H   UNL     1       5.931  -1.666  -0.589  1.00  0.00           H  
HETATM   53  H   UNL     1       6.589  -2.535   1.611  1.00  0.00           H  
HETATM   54  H   UNL     1       4.886  -2.871   2.016  1.00  0.00           H  
HETATM   55  H   UNL     1       6.115  -0.130   1.462  1.00  0.00           H  
HETATM   56  H   UNL     1       5.557  -0.741   3.039  1.00  0.00           H  
HETATM   57  H   UNL     1       3.844   0.721   2.024  1.00  0.00           H  
HETATM   58  H   UNL     1       3.252  -0.953   2.128  1.00  0.00           H  
HETATM   59  H   UNL     1       6.444  -5.306  -0.724  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.576  -0.308  -1.558  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.025  -1.210  -3.328  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.031  -2.505  -2.743  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.139  -1.991   1.418  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.770  -2.050   2.460  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.387  -0.869   1.280  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.516  -1.718   2.362  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.551  -3.924   1.454  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.085  -5.450  -0.628  1.00  0.00           H  
CONECT    1    2   19                                                 
CONECT    2    1    3    3    7                                       
CONECT    3    2    2    4   42                                       
CONECT    4    3    5    5    9                                       
CONECT    5    4    4    6   43                                       
CONECT    6    5    7    7   44                                       
CONECT    7    2    6    6    8                                       
CONECT    8    7   45                                                 
CONECT    9    4   10   10   11                                       
CONECT   10    9    9   46                                            
CONECT   11    9   47   48                                            
CONECT   12   13   14   14   19                                       
CONECT   13   12                                                      
CONECT   14   12   12   15   20                                       
CONECT   15   14   16   17   17                                       
CONECT   16   15                                                      
CONECT   17   15   15   18   29                                       
CONECT   18   17   19   19   49                                       
CONECT   19    1   12   18   18                                       
CONECT   20   14   21   25                                            
CONECT   21   20   22   50   51                                       
CONECT   22   21   23   26   52                                       
CONECT   23   22   24   53   54                                       
CONECT   24   23   25   55   56                                       
CONECT   25   20   24   57   58                                       
CONECT   26   22   27   28   28                                       
CONECT   27   26   59                                                 
CONECT   28   26   26                                                 
CONECT   29   17   30                                                 
CONECT   30   29   31   31   35                                       
CONECT   31   30   30   32   60                                       
CONECT   32   31   33   33   61                                       
CONECT   33   32   32   34   62                                       
CONECT   34   33   35   35   36                                       
CONECT   35   30   34   34   63                                       
CONECT   36   34   37   39   39                                       
CONECT   37   36   38   40                                            
CONECT   38   37   64   65   66                                       
CONECT   39   36   36   41                                            
CONECT   40   37   41   41   67                                       
CONECT   41   39   40   40   68                                       
CONECT   42    3                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    8                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   18                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   25                                                      
CONECT   59   27                                                      
CONECT   60   31                                                      
CONECT   61   32                                                      
CONECT   62   33                                                      
CONECT   63   35                                                      
CONECT   64   38                                                      
CONECT   65   38                                                      
CONECT   66   38                                                      
CONECT   67   40                                                      
CONECT   68   41                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
