COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  N   UNL     1      -1.028  -2.279  -1.221  1.00  0.00           N  
HETATM    2  N   UNL     1      -2.929   3.624   1.449  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.603  -5.235   1.010  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.686  -6.308   1.134  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.094  -1.312  -1.376  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.180  -2.327  -2.124  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.283  -1.456  -1.579  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.311  -1.227  -0.326  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.073   2.175   0.668  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.097   2.972   1.173  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.726   1.449   0.287  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.274  -0.095  -1.830  1.00  0.00           C  
HETATM   13  C   UNL     1       2.150  -2.344   1.454  1.00  0.00           C  
HETATM   14  C   UNL     1       3.137  -1.405   1.371  1.00  0.00           C  
HETATM   15  C   UNL     1       2.056  -0.361  -0.515  1.00  0.00           C  
HETATM   16  C   UNL     1       5.022   2.674  -0.466  1.00  0.00           C  
HETATM   17  C   UNL     1       7.309   3.381  -0.275  1.00  0.00           C  
HETATM   18  O   UNL     1       3.087   1.653  -1.289  1.00  0.00           O  
HETATM   19  C   UNL     1       4.015   1.592  -0.505  1.00  0.00           C  
HETATM   20  C   UNL     1       4.623   4.007  -0.574  1.00  0.00           C  
HETATM   21  C   UNL     1       5.568   5.012  -0.532  1.00  0.00           C  
HETATM   22  C   UNL     1       6.907   4.700  -0.382  1.00  0.00           C  
HETATM   23  C   UNL     1       6.375   2.366  -0.315  1.00  0.00           C  
HETATM   24  N   UNL     1       4.125   0.539   0.328  1.00  0.00           N  
HETATM   25  C   UNL     1       5.317   0.390   1.167  1.00  0.00           C  
HETATM   26  C   UNL     1       6.007  -0.907   0.832  1.00  0.00           C  
HETATM   27  O   UNL     1       5.720  -2.109   1.359  1.00  0.00           O  
HETATM   28  C   UNL     1       6.535  -3.036   0.829  1.00  0.00           C  
HETATM   29  C   UNL     1       7.355  -2.430  -0.048  1.00  0.00           C  
HETATM   30  C   UNL     1       7.012  -1.058  -0.050  1.00  0.00           C  
HETATM   31  C   UNL     1       3.101  -0.412   0.393  1.00  0.00           C  
HETATM   32  C   UNL     1       1.084  -2.316   0.552  1.00  0.00           C  
HETATM   33  C   UNL     1       1.042  -1.313  -0.442  1.00  0.00           C  
HETATM   34  O   UNL     1      -0.189  -0.475  -2.255  1.00  0.00           O  
HETATM   35  C   UNL     1      -0.904  -3.210  -0.238  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.971  -4.267  -0.116  1.00  0.00           C  
HETATM   37  N   UNL     1       0.087  -3.235   0.600  1.00  0.00           N  
HETATM   38  C   UNL     1      -4.281   0.707  -1.333  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.307   0.144  -0.576  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.302  -2.020  -0.833  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.389   1.002  -0.034  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.722   0.648  -0.220  1.00  0.00           C  
HETATM   43  C   UNL     1      -8.414   2.606   0.980  1.00  0.00           C  
HETATM   44  C   UNL     1      -4.656   2.567   0.868  1.00  0.00           C  
HETATM   45  N   UNL     1      -3.574   1.901   0.440  1.00  0.00           N  
HETATM   46  N   UNL     1      -2.539   2.573   0.817  1.00  0.00           N  
HETATM   47  N   UNL     1      -4.217   3.642   1.493  1.00  0.00           N  
HETATM   48  H   UNL     1      -2.345   4.295   1.836  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.525  -4.687   1.949  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.647  -5.708   0.785  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.424  -6.998   1.937  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.642  -5.836   1.359  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.764  -6.856   0.195  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.885  -1.965  -3.109  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.536  -3.354  -2.206  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.104  -1.668   0.259  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.861   3.875   1.715  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.759   1.172   0.141  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.478   0.339  -2.416  1.00  0.00           H  
HETATM   60  H   UNL     1       2.192  -3.108   2.217  1.00  0.00           H  
HETATM   61  H   UNL     1       3.957  -1.431   2.073  1.00  0.00           H  
HETATM   62  H   UNL     1       2.029   0.408  -1.272  1.00  0.00           H  
HETATM   63  H   UNL     1       8.357   3.144  -0.159  1.00  0.00           H  
HETATM   64  H   UNL     1       3.578   4.252  -0.692  1.00  0.00           H  
HETATM   65  H   UNL     1       5.260   6.044  -0.615  1.00  0.00           H  
HETATM   66  H   UNL     1       7.643   5.490  -0.350  1.00  0.00           H  
HETATM   67  H   UNL     1       6.690   1.337  -0.231  1.00  0.00           H  
HETATM   68  H   UNL     1       5.997   1.222   0.983  1.00  0.00           H  
HETATM   69  H   UNL     1       5.024   0.385   2.217  1.00  0.00           H  
HETATM   70  H   UNL     1       6.532  -4.089   1.067  1.00  0.00           H  
HETATM   71  H   UNL     1       8.125  -2.901  -0.641  1.00  0.00           H  
HETATM   72  H   UNL     1       7.472  -0.280  -0.641  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.049  -4.815  -1.055  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.927  -3.794   0.109  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.273   1.769  -1.530  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.306  -3.084  -0.644  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.972  -0.254  -0.760  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.206   3.227   1.373  1.00  0.00           H  
CONECT    1    5    6   35                                            
CONECT    2   47   46   48                                            
CONECT    3    4   36   49   50                                       
CONECT    4    3   51   52   53                                       
CONECT    5   34   34   33    1                                       
CONECT    6    1    7   54   55                                       
CONECT    7    6   40   40   12                                       
CONECT    8   40   39   39   56                                       
CONECT    9   44   41   41   10                                       
CONECT   10    9   43   43   57                                       
CONECT   11   42   42   43   58                                       
CONECT   12    7   38   38   59                                       
CONECT   13   14   14   32   60                                       
CONECT   14   31   13   13   61                                       
CONECT   15   31   31   33   62                                       
CONECT   16   19   20   20   23                                       
CONECT   17   23   23   22   63                                       
CONECT   18   19   19                                                 
CONECT   19   24   18   18   16                                       
CONECT   20   16   16   21   64                                       
CONECT   21   20   22   22   65                                       
CONECT   22   21   21   17   66                                       
CONECT   23   16   17   17   67                                       
CONECT   24   25   31   19                                            
CONECT   25   26   24   68   69                                       
CONECT   26   30   30   25   27                                       
CONECT   27   28   26                                                 
CONECT   28   29   29   27   70                                       
CONECT   29   30   28   28   71                                       
CONECT   30   29   26   26   72                                       
CONECT   31   24   15   15   14                                       
CONECT   32   33   33   13   37                                       
CONECT   33   15    5   32   32                                       
CONECT   34    5    5                                                 
CONECT   35    1   37   37   36                                       
CONECT   36    3   35   73   74                                       
CONECT   37   32   35   35                                            
CONECT   38   12   12   39   75                                       
CONECT   39    8    8   38   41                                       
CONECT   40    7    7    8   76                                       
CONECT   41   39    9    9   42                                       
CONECT   42   41   11   11   77                                       
CONECT   43   10   10   11   78                                       
CONECT   44   47   47    9   45                                       
CONECT   45   44   46   46                                            
CONECT   46    2   45   45                                            
CONECT   47    2   44   44                                            
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    8                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   17                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   36                                                      
CONECT   74   36                                                      
CONECT   75   38                                                      
CONECT   76   40                                                      
CONECT   77   42                                                      
CONECT   78   43                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
