COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.474  -0.332  -0.667  1.00  0.00           N  
HETATM    2  C   UNL     1       1.952  -0.729  -0.942  1.00  0.00           C  
HETATM    3  O   UNL     1       0.967   0.612   0.731  1.00  0.00           O  
HETATM    4  C   UNL     1       0.780  -0.101  -0.232  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.825   1.506   0.274  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.841   1.691  -0.520  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.638   2.571  -0.173  1.00  0.00           C  
HETATM    8  C   UNL     1       1.819  -2.253  -0.897  1.00  0.00           C  
HETATM    9  C   UNL     1       3.067  -2.892  -1.507  1.00  0.00           C  
HETATM   10  C   UNL     1       4.353  -0.320  -0.972  1.00  0.00           C  
HETATM   11  C   UNL     1       6.706   0.033  -1.170  1.00  0.00           C  
HETATM   12  C   UNL     1       0.740  -3.738   0.645  1.00  0.00           C  
HETATM   13  C   UNL     1       0.664  -4.101   2.129  1.00  0.00           C  
HETATM   14  C   UNL     1       1.188  -4.962  -0.157  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.613   0.279   0.023  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.639  -3.287   0.158  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.544   2.732   1.345  1.00  0.00           C  
HETATM   18  C   UNL     1       0.659   3.612   1.692  1.00  0.00           C  
HETATM   19  C   UNL     1       0.488   4.987   1.043  1.00  0.00           C  
HETATM   20  C   UNL     1       0.394   4.826  -0.476  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.809   3.946  -0.822  1.00  0.00           C  
HETATM   22  C   UNL     1       7.876   0.472  -0.328  1.00  0.00           C  
HETATM   23  C   UNL     1       8.610  -0.463   0.377  1.00  0.00           C  
HETATM   24  C   UNL     1       9.683  -0.060   1.150  1.00  0.00           C  
HETATM   25  C   UNL     1      10.022   1.279   1.217  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.847  -0.554  -0.209  1.00  0.00           C  
HETATM   27  C   UNL     1       9.288   2.214   0.512  1.00  0.00           C  
HETATM   28  C   UNL     1       8.218   1.810  -0.266  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.473  -2.383   2.015  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.394  -2.053   0.869  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.127  -0.574  -0.924  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.295   0.183  -0.290  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.332   0.578  -1.367  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.797   1.962  -0.865  1.00  0.00           C  
HETATM   35  N   UNL     1      -4.023  -0.182   0.334  1.00  0.00           N  
HETATM   36  N   UNL     1      -7.684   2.484  -0.063  1.00  0.00           N  
HETATM   37  N   UNL     1       3.196  -0.328  -0.282  1.00  0.00           N  
HETATM   38  N   UNL     1      -5.170  -0.957   0.118  1.00  0.00           N  
HETATM   39  O   UNL     1      -2.782  -1.559  -0.885  1.00  0.00           O  
HETATM   40  O   UNL     1      -6.337  -2.776   0.621  1.00  0.00           O  
HETATM   41  O   UNL     1      -5.822   1.661   0.938  1.00  0.00           O  
HETATM   42  O   UNL     1       1.680  -2.678   0.461  1.00  0.00           O  
HETATM   43  O   UNL     1       5.497   0.049  -0.365  1.00  0.00           O  
HETATM   44  O   UNL     1       4.365  -0.647  -2.143  1.00  0.00           O  
HETATM   45  H   UNL     1      -0.623  -0.899  -1.440  1.00  0.00           H  
HETATM   46  H   UNL     1       1.968  -0.397  -1.980  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.740   2.112  -0.070  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.961   1.649  -1.602  1.00  0.00           H  
HETATM   49  H   UNL     1       0.273   2.104  -0.547  1.00  0.00           H  
HETATM   50  H   UNL     1       0.939  -2.558  -1.464  1.00  0.00           H  
HETATM   51  H   UNL     1       3.952  -2.536  -0.980  1.00  0.00           H  
HETATM   52  H   UNL     1       3.002  -3.977  -1.416  1.00  0.00           H  
HETATM   53  H   UNL     1       3.137  -2.620  -2.560  1.00  0.00           H  
HETATM   54  H   UNL     1       6.589   0.713  -2.014  1.00  0.00           H  
HETATM   55  H   UNL     1       6.883  -0.977  -1.539  1.00  0.00           H  
HETATM   56  H   UNL     1       1.646  -4.422   2.475  1.00  0.00           H  
HETATM   57  H   UNL     1       0.345  -3.229   2.700  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.053  -4.909   2.269  1.00  0.00           H  
HETATM   59  H   UNL     1       1.219  -4.711  -1.217  1.00  0.00           H  
HETATM   60  H   UNL     1       2.180  -5.269   0.173  1.00  0.00           H  
HETATM   61  H   UNL     1       0.483  -5.779   0.002  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.405   0.330   1.092  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.356  -4.096   0.299  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.958  -2.415   0.729  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.585  -3.029  -0.899  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.455   3.199   1.719  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.422   1.752   1.807  1.00  0.00           H  
HETATM   68  H   UNL     1       0.726   3.726   2.773  1.00  0.00           H  
HETATM   69  H   UNL     1       1.570   3.145   1.318  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.423   5.454   1.416  1.00  0.00           H  
HETATM   71  H   UNL     1       1.345   5.614   1.290  1.00  0.00           H  
HETATM   72  H   UNL     1       0.273   5.806  -0.938  1.00  0.00           H  
HETATM   73  H   UNL     1       1.306   4.359  -0.849  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.876   3.832  -1.904  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.720   4.413  -0.449  1.00  0.00           H  
HETATM   76  H   UNL     1       8.345  -1.509   0.324  1.00  0.00           H  
HETATM   77  H   UNL     1      10.256  -0.790   1.701  1.00  0.00           H  
HETATM   78  H   UNL     1      10.860   1.594   1.821  1.00  0.00           H  
HETATM   79  H   UNL     1       9.552   3.260   0.565  1.00  0.00           H  
HETATM   80  H   UNL     1       7.645   2.541  -0.817  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.692  -1.626   2.082  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.043  -2.401   2.945  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.020  -3.360   1.848  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.501  -1.470  -1.420  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.632   0.066  -1.654  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.762  -0.420   0.489  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.861   0.656  -2.347  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.163  -0.128  -1.391  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.998   2.622  -1.709  1.00  0.00           H  
HETATM   90  H   UNL     1      -9.688   1.859  -0.245  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.075   0.621   0.875  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.578   3.415   0.187  1.00  0.00           H  
HETATM   93  H   UNL     1       3.187  -0.067   0.652  1.00  0.00           H  
CONECT    1   15    4   45                                            
CONECT    2    8    4   37   46                                       
CONECT    3    4    4                                                 
CONECT    4    2    1    3    3                                       
CONECT    5   32   36   41   41                                       
CONECT    6    7   15   47   48                                       
CONECT    7   17    6   21   49                                       
CONECT    8   42    9    2   50                                       
CONECT    9    8   51   52   53                                       
CONECT   10   44   44   37   43                                       
CONECT   11   22   43   54   55                                       
CONECT   12   13   42   14   16                                       
CONECT   13   12   56   57   58                                       
CONECT   14   12   59   60   61                                       
CONECT   15    6    1   26   62                                       
CONECT   16   12   63   64   65                                       
CONECT   17   18    7   66   67                                       
CONECT   18   17   19   68   69                                       
CONECT   19   18   20   70   71                                       
CONECT   20   19   21   72   73                                       
CONECT   21    7   20   74   75                                       
CONECT   22   28   28   23   11                                       
CONECT   23   24   24   22   76                                       
CONECT   24   25   23   23   77                                       
CONECT   25   27   27   24   78                                       
CONECT   26   39   39   15   35                                       
CONECT   27   25   25   28   79                                       
CONECT   28   27   22   22   80                                       
CONECT   29   30   81   82   83                                       
CONECT   30   40   40   38   29                                       
CONECT   31   32   38   84   85                                       
CONECT   32   33   31    5   86                                       
CONECT   33   34   32   87   88                                       
CONECT   34   33   36   89   90                                       
CONECT   35   26   38   91                                            
CONECT   36   34    5   92                                            
CONECT   37    2   10   93                                            
CONECT   38   35   30   31                                            
CONECT   39   26   26                                                 
CONECT   40   30   30                                                 
CONECT   41    5    5                                                 
CONECT   42   12    8                                                 
CONECT   43   10   11                                                 
CONECT   44   10   10                                                 
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   19                                                      
CONECT   72   20                                                      
CONECT   73   20                                                      
CONECT   74   21                                                      
CONECT   75   21                                                      
CONECT   76   23                                                      
CONECT   77   24                                                      
CONECT   78   25                                                      
CONECT   79   27                                                      
CONECT   80   28                                                      
CONECT   81   29                                                      
CONECT   82   29                                                      
CONECT   83   29                                                      
CONECT   84   31                                                      
CONECT   85   31                                                      
CONECT   86   32                                                      
CONECT   87   33                                                      
CONECT   88   33                                                      
CONECT   89   34                                                      
CONECT   90   34                                                      
CONECT   91   35                                                      
CONECT   92   36                                                      
CONECT   93   37                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
