COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  O   UNL     1      -5.826   2.186   1.889  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.366   1.789   0.836  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.243   1.633  -0.340  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.718   1.172  -1.551  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.542   1.023  -2.646  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.890   1.327  -2.555  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.424   1.786  -1.362  1.00  0.00           C  
HETATM    8  O   UNL     1      -9.748   2.083  -1.280  1.00  0.00           O  
HETATM    9  C   UNL     1      -7.605   1.941  -0.248  1.00  0.00           C  
HETATM   10  O   UNL     1      -8.126   2.385   0.925  1.00  0.00           O  
HETATM   11  N   UNL     1      -4.053   1.497   0.741  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.181   1.658   1.907  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.752   1.262   1.534  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.841   1.430   2.751  1.00  0.00           C  
HETATM   15  N   UNL     1       0.526   1.040   2.397  1.00  0.00           N  
HETATM   16  C   UNL     1       1.347   1.928   1.802  1.00  0.00           C  
HETATM   17  O   UNL     1       0.987   3.074   1.642  1.00  0.00           O  
HETATM   18  C   UNL     1       2.713   1.495   1.336  1.00  0.00           C  
HETATM   19  C   UNL     1       3.801   1.902   2.359  1.00  0.00           C  
HETATM   20  C   UNL     1       4.204   0.714   3.235  1.00  0.00           C  
HETATM   21  O   UNL     1       4.882   2.292   1.486  1.00  0.00           O  
HETATM   22  N   UNL     1       3.124   2.250   0.135  1.00  0.00           N  
HETATM   23  C   UNL     1       4.342   2.661   0.306  1.00  0.00           C  
HETATM   24  C   UNL     1       5.072   3.460  -0.700  1.00  0.00           C  
HETATM   25  C   UNL     1       4.453   3.809  -1.905  1.00  0.00           C  
HETATM   26  O   UNL     1       3.178   3.415  -2.155  1.00  0.00           O  
HETATM   27  C   UNL     1       5.149   4.563  -2.844  1.00  0.00           C  
HETATM   28  O   UNL     1       4.553   4.907  -4.017  1.00  0.00           O  
HETATM   29  C   UNL     1       6.449   4.964  -2.585  1.00  0.00           C  
HETATM   30  C   UNL     1       7.062   4.617  -1.392  1.00  0.00           C  
HETATM   31  C   UNL     1       6.382   3.876  -0.450  1.00  0.00           C  
HETATM   32  C   UNL     1       1.000  -0.315   2.688  1.00  0.00           C  
HETATM   33  C   UNL     1       0.699  -1.229   1.498  1.00  0.00           C  
HETATM   34  C   UNL     1       1.194  -2.644   1.803  1.00  0.00           C  
HETATM   35  N   UNL     1       0.905  -3.518   0.664  1.00  0.00           N  
HETATM   36  C   UNL     1       1.255  -4.819   0.707  1.00  0.00           C  
HETATM   37  O   UNL     1       1.809  -5.267   1.692  1.00  0.00           O  
HETATM   38  C   UNL     1       0.964  -5.700  -0.440  1.00  0.00           C  
HETATM   39  C   UNL     1       1.320  -7.053  -0.397  1.00  0.00           C  
HETATM   40  O   UNL     1       1.939  -7.560   0.700  1.00  0.00           O  
HETATM   41  C   UNL     1       1.036  -7.875  -1.483  1.00  0.00           C  
HETATM   42  O   UNL     1       1.378  -9.191  -1.448  1.00  0.00           O  
HETATM   43  C   UNL     1       0.404  -7.354  -2.599  1.00  0.00           C  
HETATM   44  C   UNL     1       0.052  -6.015  -2.642  1.00  0.00           C  
HETATM   45  C   UNL     1       0.327  -5.188  -1.574  1.00  0.00           C  
HETATM   46  H   UNL     1      -4.668   0.934  -1.629  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.133   0.666  -3.580  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.527   1.207  -3.418  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.303   1.337  -1.014  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.105   3.346   1.026  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.686   1.181  -0.099  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.197   2.698   2.232  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.536   1.020   2.717  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.736   0.222   1.209  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.397   1.901   0.724  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.850   2.472   3.071  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.200   0.797   3.563  1.00  0.00           H  
HETATM   58  H   UNL     1       2.737   0.422   1.148  1.00  0.00           H  
HETATM   59  H   UNL     1       3.469   2.742   2.970  1.00  0.00           H  
HETATM   60  H   UNL     1       4.471  -0.131   2.601  1.00  0.00           H  
HETATM   61  H   UNL     1       5.059   0.990   3.852  1.00  0.00           H  
HETATM   62  H   UNL     1       3.368   0.436   3.877  1.00  0.00           H  
HETATM   63  H   UNL     1       2.506   4.044  -1.857  1.00  0.00           H  
HETATM   64  H   UNL     1       4.078   5.748  -3.986  1.00  0.00           H  
HETATM   65  H   UNL     1       6.987   5.548  -3.316  1.00  0.00           H  
HETATM   66  H   UNL     1       8.076   4.934  -1.198  1.00  0.00           H  
HETATM   67  H   UNL     1       6.865   3.609   0.478  1.00  0.00           H  
HETATM   68  H   UNL     1       2.075  -0.294   2.867  1.00  0.00           H  
HETATM   69  H   UNL     1       0.493  -0.695   3.575  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.376  -1.250   1.320  1.00  0.00           H  
HETATM   71  H   UNL     1       1.206  -0.849   0.612  1.00  0.00           H  
HETATM   72  H   UNL     1       2.269  -2.622   1.981  1.00  0.00           H  
HETATM   73  H   UNL     1       0.687  -3.023   2.690  1.00  0.00           H  
HETATM   74  H   UNL     1       0.463  -3.161  -0.122  1.00  0.00           H  
HETATM   75  H   UNL     1       1.333  -7.903   1.370  1.00  0.00           H  
HETATM   76  H   UNL     1       2.263  -9.376  -1.791  1.00  0.00           H  
HETATM   77  H   UNL     1       0.185  -7.994  -3.440  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.440  -5.616  -3.517  1.00  0.00           H  
HETATM   79  H   UNL     1       0.045  -4.146  -1.612  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1   11                                       
CONECT    3    4    4    9    2                                       
CONECT    4    5    3    3   46                                       
CONECT    5    6    6    4   47                                       
CONECT    6    5    5    7   48                                       
CONECT    7    6    8    9    9                                       
CONECT    8    7   49                                                 
CONECT    9    7    7    3   10                                       
CONECT   10    9   50                                                 
CONECT   11    2   12   51                                            
CONECT   12   11   13   52   53                                       
CONECT   13   12   14   54   55                                       
CONECT   14   13   15   56   57                                       
CONECT   15   14   16   32                                            
CONECT   16   15   18   17   17                                       
CONECT   17   16   16                                                 
CONECT   18   22   19   16   58                                       
CONECT   19   21   18   20   59                                       
CONECT   20   19   60   61   62                                       
CONECT   21   23   19                                                 
CONECT   22   23   23   18                                            
CONECT   23   24   22   22   21                                       
CONECT   24   25   25   31   23                                       
CONECT   25   27   26   24   24                                       
CONECT   26   25   63                                                 
CONECT   27   28   29   29   25                                       
CONECT   28   27   64                                                 
CONECT   29   27   27   30   65                                       
CONECT   30   29   31   31   66                                       
CONECT   31   30   30   24   67                                       
CONECT   32   15   33   68   69                                       
CONECT   33   34   32   70   71                                       
CONECT   34   35   33   72   73                                       
CONECT   35   36   34   74                                            
CONECT   36   38   35   37   37                                       
CONECT   37   36   36                                                 
CONECT   38   39   39   45   36                                       
CONECT   39   41   40   38   38                                       
CONECT   40   39   75                                                 
CONECT   41   42   43   43   39                                       
CONECT   42   41   76                                                 
CONECT   43   41   41   44   77                                       
CONECT   44   43   45   45   78                                       
CONECT   45   44   44   38   79                                       
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    8                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   26                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   40                                                      
CONECT   76   42                                                      
CONECT   77   43                                                      
CONECT   78   44                                                      
CONECT   79   45                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
