COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.421  -2.257  -8.061  1.00  0.00           O  
HETATM    2  C   UNL     1       1.634  -1.265  -7.397  1.00  0.00           C  
HETATM    3  N   UNL     1       2.902  -0.868  -7.166  1.00  0.00           N  
HETATM    4  C   UNL     1       0.483  -0.477  -6.829  1.00  0.00           C  
HETATM    5  C   UNL     1       0.057   0.597  -7.831  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.094   1.386  -7.263  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.851   2.516  -6.505  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.907   3.240  -5.984  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.207   2.833  -6.221  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.450   1.703  -6.979  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.394   0.982  -7.504  1.00  0.00           C  
HETATM   12  N   UNL     1       0.898   0.160  -5.576  1.00  0.00           N  
HETATM   13  C   UNL     1       0.738  -0.487  -4.405  1.00  0.00           C  
HETATM   14  O   UNL     1       0.250  -1.598  -4.388  1.00  0.00           O  
HETATM   15  C   UNL     1       1.165   0.167  -3.117  1.00  0.00           C  
HETATM   16  C   UNL     1       2.687   0.087  -2.984  1.00  0.00           C  
HETATM   17  C   UNL     1       3.120   0.752  -1.676  1.00  0.00           C  
HETATM   18  C   UNL     1       4.619   0.674  -1.545  1.00  0.00           C  
HETATM   19  O   UNL     1       5.277   0.138  -2.413  1.00  0.00           O  
HETATM   20  N   UNL     1       5.230   1.198  -0.465  1.00  0.00           N  
HETATM   21  N   UNL     1       0.539  -0.523  -1.987  1.00  0.00           N  
HETATM   22  C   UNL     1       0.111   0.180  -0.920  1.00  0.00           C  
HETATM   23  O   UNL     1       0.155   1.392  -0.936  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.421  -0.538   0.292  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.942  -0.384   0.349  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.557  -1.025  -0.868  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.840  -2.378  -0.868  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.405  -2.966  -1.984  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.687  -2.200  -3.100  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.405  -0.847  -3.100  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.845  -0.258  -1.982  1.00  0.00           C  
HETATM   32  C   UNL     1       0.200   0.062   1.554  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.332  -0.656   2.767  1.00  0.00           C  
HETATM   34  O   UNL     1      -1.126  -1.556   2.635  1.00  0.00           O  
HETATM   35  C   UNL     1       0.126  -0.252   4.144  1.00  0.00           C  
HETATM   36  N   UNL     1      -0.943  -0.512   5.111  1.00  0.00           N  
HETATM   37  C   UNL     1      -1.058   0.256   6.212  1.00  0.00           C  
HETATM   38  O   UNL     1      -0.274   1.165   6.403  1.00  0.00           O  
HETATM   39  O   UNL     1      -2.041   0.017   7.101  1.00  0.00           O  
HETATM   40  C   UNL     1      -2.164   0.845   8.287  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.353   0.365   9.122  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.388   2.300   7.872  1.00  0.00           C  
HETATM   43  C   UNL     1      -0.883   0.742   9.117  1.00  0.00           C  
HETATM   44  C   UNL     1       1.367  -1.061   4.527  1.00  0.00           C  
HETATM   45  C   UNL     1       1.825  -0.657   5.904  1.00  0.00           C  
HETATM   46  C   UNL     1       1.337  -1.316   7.016  1.00  0.00           C  
HETATM   47  C   UNL     1       1.757  -0.946   8.280  1.00  0.00           C  
HETATM   48  C   UNL     1       2.667   0.083   8.431  1.00  0.00           C  
HETATM   49  C   UNL     1       3.156   0.742   7.319  1.00  0.00           C  
HETATM   50  C   UNL     1       2.739   0.369   6.055  1.00  0.00           C  
HETATM   51  H   UNL     1       3.643  -1.376  -7.532  1.00  0.00           H  
HETATM   52  H   UNL     1       3.072  -0.075  -6.635  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.355  -1.146  -6.635  1.00  0.00           H  
HETATM   54  H   UNL     1       0.895   1.266  -8.024  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.251   0.123  -8.763  1.00  0.00           H  
HETATM   56  H   UNL     1       0.164   2.834  -6.321  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.717   4.123  -5.392  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.032   3.397  -5.813  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.466   1.384  -7.163  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.584   0.099  -8.096  1.00  0.00           H  
HETATM   61  H   UNL     1       1.288   1.048  -5.590  1.00  0.00           H  
HETATM   62  H   UNL     1       0.855   1.212  -3.121  1.00  0.00           H  
HETATM   63  H   UNL     1       2.997  -0.957  -2.980  1.00  0.00           H  
HETATM   64  H   UNL     1       3.153   0.601  -3.825  1.00  0.00           H  
HETATM   65  H   UNL     1       2.810   1.797  -1.680  1.00  0.00           H  
HETATM   66  H   UNL     1       2.655   0.238  -0.836  1.00  0.00           H  
HETATM   67  H   UNL     1       6.195   1.148  -0.380  1.00  0.00           H  
HETATM   68  H   UNL     1       4.704   1.627   0.228  1.00  0.00           H  
HETATM   69  H   UNL     1       0.432  -1.487  -2.006  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.165  -1.595   0.229  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.323  -0.870   1.247  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.199   0.674   0.371  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.619  -2.976   0.003  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.625  -4.023  -1.985  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.128  -2.660  -3.973  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.626  -0.249  -3.972  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.625   0.798  -1.981  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.056   1.120   1.617  1.00  0.00           H  
HETATM   79  H   UNL     1       1.283  -0.047   1.514  1.00  0.00           H  
HETATM   80  H   UNL     1       0.369   0.810   4.149  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.568  -1.238   4.959  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.446   0.986  10.013  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.266   0.438   8.531  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.194  -0.671   9.418  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.300   2.374   7.281  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.480   2.922   8.762  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.541   2.642   7.277  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.724  -0.294   9.412  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.036   1.084   8.522  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.976   1.363  10.007  1.00  0.00           H  
HETATM   91  H   UNL     1       1.123  -2.124   4.522  1.00  0.00           H  
HETATM   92  H   UNL     1       2.162  -0.867   3.807  1.00  0.00           H  
HETATM   93  H   UNL     1       0.626  -2.121   6.898  1.00  0.00           H  
HETATM   94  H   UNL     1       1.375  -1.460   9.149  1.00  0.00           H  
HETATM   95  H   UNL     1       2.995   0.374   9.418  1.00  0.00           H  
HETATM   96  H   UNL     1       3.867   1.547   7.437  1.00  0.00           H  
HETATM   97  H   UNL     1       3.121   0.883   5.186  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   51   52                                            
CONECT    4    2    5   12   53                                       
CONECT    5    4    6   54   55                                       
CONECT    6    5    7    7   11                                       
CONECT    7    6    6    8   56                                       
CONECT    8    7    9    9   57                                       
CONECT    9    8    8   10   58                                       
CONECT   10    9   11   11   59                                       
CONECT   11    6   10   10   60                                       
CONECT   12    4   13   61                                            
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   21   62                                       
CONECT   16   15   17   63   64                                       
CONECT   17   16   18   65   66                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   67   68                                            
CONECT   21   15   22   69                                            
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   32   70                                       
CONECT   25   24   26   71   72                                       
CONECT   26   25   27   27   31                                       
CONECT   27   26   26   28   73                                       
CONECT   28   27   29   29   74                                       
CONECT   29   28   28   30   75                                       
CONECT   30   29   31   31   76                                       
CONECT   31   26   30   30   77                                       
CONECT   32   24   33   78   79                                       
CONECT   33   32   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   36   44   80                                       
CONECT   36   35   37   81                                            
CONECT   37   36   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   37   40                                                 
CONECT   40   39   41   42   43                                       
CONECT   41   40   82   83   84                                       
CONECT   42   40   85   86   87                                       
CONECT   43   40   88   89   90                                       
CONECT   44   35   45   91   92                                       
CONECT   45   44   46   46   50                                       
CONECT   46   45   45   47   93                                       
CONECT   47   46   48   48   94                                       
CONECT   48   47   47   49   95                                       
CONECT   49   48   50   50   96                                       
CONECT   50   45   49   49   97                                       
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   17                                                      
CONECT   67   20                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   41                                                      
CONECT   83   41                                                      
CONECT   84   41                                                      
CONECT   85   42                                                      
CONECT   86   42                                                      
CONECT   87   42                                                      
CONECT   88   43                                                      
CONECT   89   43                                                      
CONECT   90   43                                                      
CONECT   91   44                                                      
CONECT   92   44                                                      
CONECT   93   46                                                      
CONECT   94   47                                                      
CONECT   95   48                                                      
CONECT   96   49                                                      
CONECT   97   50                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
