COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.135   0.525   1.218  1.00  0.00           C  
HETATM    2  C   UNL     1       7.280  -0.418  -2.563  1.00  0.00           C  
HETATM    3  C   UNL     1       6.860   1.452   1.958  1.00  0.00           C  
HETATM    4  C   UNL     1       7.614   1.019   3.045  1.00  0.00           C  
HETATM    5  C   UNL     1       7.934   2.662  -0.482  1.00  0.00           C  
HETATM    6  C   UNL     1       7.638  -0.319   3.383  1.00  0.00           C  
HETATM    7  C   UNL     1       8.457  -0.780   4.562  1.00  0.00           C  
HETATM    8  C   UNL     1       8.246   3.333   1.853  1.00  0.00           C  
HETATM    9  C   UNL     1       9.017   2.853   0.603  1.00  0.00           C  
HETATM   10  C   UNL     1       7.883   1.223  -0.926  1.00  0.00           C  
HETATM   11  C   UNL     1       7.330   0.899  -2.152  1.00  0.00           C  
HETATM   12  N   UNL     1       6.860   2.819   1.648  1.00  0.00           N  
HETATM   13  N   UNL     1       5.364   4.909  -0.854  1.00  0.00           N  
HETATM   14  C   UNL     1       6.167  -0.819   1.561  1.00  0.00           C  
HETATM   15  N   UNL     1       4.574   2.717  -1.098  1.00  0.00           N  
HETATM   16  C   UNL     1       6.945  -2.697   3.022  1.00  0.00           C  
HETATM   17  C   UNL     1       7.785  -1.422  -1.740  1.00  0.00           C  
HETATM   18  C   UNL     1       7.730  -2.839  -2.174  1.00  0.00           C  
HETATM   19  C   UNL     1       7.179  -3.171  -3.411  1.00  0.00           C  
HETATM   20  C   UNL     1       7.130  -4.491  -3.810  1.00  0.00           C  
HETATM   21  C   UNL     1       7.628  -5.484  -2.986  1.00  0.00           C  
HETATM   22  C   UNL     1       6.914  -1.238   2.646  1.00  0.00           C  
HETATM   23  C   UNL     1       8.175  -5.161  -1.758  1.00  0.00           C  
HETATM   24  C   UNL     1       8.234  -3.844  -1.351  1.00  0.00           C  
HETATM   25  C   UNL     1       8.342  -1.090  -0.506  1.00  0.00           C  
HETATM   26  C   UNL     1       8.391   0.230  -0.107  1.00  0.00           C  
HETATM   27  C   UNL     1       6.615   3.058   0.213  1.00  0.00           C  
HETATM   28  C   UNL     1       6.359   4.518  -0.038  1.00  0.00           C  
HETATM   29  C   UNL     1       4.543   4.014  -1.425  1.00  0.00           C  
HETATM   30  C   UNL     1       5.484   2.221  -0.299  1.00  0.00           C  
HETATM   31  C   UNL     1       4.471   0.002  -0.564  1.00  0.00           C  
HETATM   32  C   UNL     1       3.087   0.059   0.086  1.00  0.00           C  
HETATM   33  C   UNL     1       2.149  -0.917  -0.627  1.00  0.00           C  
HETATM   34  C   UNL     1       0.765  -0.860   0.023  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.174  -1.836  -0.689  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.871  -2.337   1.322  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.630  -1.116   1.844  1.00  0.00           C  
HETATM   38  C   UNL     1      -9.989   0.548   0.979  1.00  0.00           C  
HETATM   39  C   UNL     1      -9.988   0.866  -1.524  1.00  0.00           C  
HETATM   40  C   UNL     1     -11.346   2.540  -1.758  1.00  0.00           C  
HETATM   41  C   UNL     1     -12.175   3.598  -2.170  1.00  0.00           C  
HETATM   42  C   UNL     1     -12.722   3.982   0.040  1.00  0.00           C  
HETATM   43  C   UNL     1     -11.259   2.261  -0.384  1.00  0.00           C  
HETATM   44  C   UNL     1     -10.959  -0.607   1.337  1.00  0.00           C  
HETATM   45  C   UNL     1     -10.070  -1.515   2.220  1.00  0.00           C  
HETATM   46  N   UNL     1       5.370   0.936   0.118  1.00  0.00           N  
HETATM   47  N   UNL     1     -10.396   1.201  -0.268  1.00  0.00           N  
HETATM   48  N   UNL     1     -10.546   1.653  -2.398  1.00  0.00           N  
HETATM   49  N   UNL     1     -12.301   3.919  -3.510  1.00  0.00           N  
HETATM   50  N   UNL     1     -12.836   4.281  -1.242  1.00  0.00           N  
HETATM   51  N   UNL     1     -11.958   3.001   0.470  1.00  0.00           N  
HETATM   52  O   UNL     1       8.246   4.760   1.923  1.00  0.00           O  
HETATM   53  O   UNL     1      -4.036  -2.253   0.223  1.00  0.00           O  
HETATM   54  O   UNL     1      -5.915  -3.632  -0.744  1.00  0.00           O  
HETATM   55  O   UNL     1      -5.171  -4.179   1.605  1.00  0.00           O  
HETATM   56  O   UNL     1      -6.510  -1.981   1.070  1.00  0.00           O  
HETATM   57  O   UNL     1      -8.719  -0.119   0.812  1.00  0.00           O  
HETATM   58  O   UNL     1     -12.081  -0.119   2.075  1.00  0.00           O  
HETATM   59  O   UNL     1     -10.314  -1.260   3.605  1.00  0.00           O  
HETATM   60  O   UNL     1       7.056   5.351   0.500  1.00  0.00           O  
HETATM   61  O   UNL     1       3.746   4.393  -2.263  1.00  0.00           O  
HETATM   62  O   UNL     1       3.193  -0.303   1.464  1.00  0.00           O  
HETATM   63  O   UNL     1       2.043  -0.556  -2.005  1.00  0.00           O  
HETATM   64  O   UNL     1       0.871  -1.222   1.402  1.00  0.00           O  
HETATM   65  O   UNL     1      -1.494  -1.700  -0.160  1.00  0.00           O  
HETATM   66  O   UNL     1      -3.054  -2.207  -2.215  1.00  0.00           O  
HETATM   67  O   UNL     1      -2.413  -4.014  -0.573  1.00  0.00           O  
HETATM   68  P   UNL     1      -2.742  -2.575  -0.679  1.00  0.00           P  
HETATM   69  P   UNL     1      -5.419  -3.025   0.511  1.00  0.00           P  
HETATM   70  H   UNL     1       6.847  -0.669  -3.520  1.00  0.00           H  
HETATM   71  H   UNL     1       8.181   1.732   3.624  1.00  0.00           H  
HETATM   72  H   UNL     1       8.127   3.315  -1.333  1.00  0.00           H  
HETATM   73  H   UNL     1       7.845  -0.749   5.463  1.00  0.00           H  
HETATM   74  H   UNL     1       8.799  -1.800   4.390  1.00  0.00           H  
HETATM   75  H   UNL     1       9.318  -0.123   4.685  1.00  0.00           H  
HETATM   76  H   UNL     1       8.682   2.906   2.757  1.00  0.00           H  
HETATM   77  H   UNL     1       9.519   1.908   0.807  1.00  0.00           H  
HETATM   78  H   UNL     1       9.738   3.607   0.290  1.00  0.00           H  
HETATM   79  H   UNL     1       6.936   1.678  -2.788  1.00  0.00           H  
HETATM   80  H   UNL     1       5.238   5.854  -1.032  1.00  0.00           H  
HETATM   81  H   UNL     1       5.605  -1.538   0.983  1.00  0.00           H  
HETATM   82  H   UNL     1       6.143  -2.907   3.730  1.00  0.00           H  
HETATM   83  H   UNL     1       6.809  -3.305   2.128  1.00  0.00           H  
HETATM   84  H   UNL     1       7.905  -2.934   3.479  1.00  0.00           H  
HETATM   85  H   UNL     1       6.790  -2.396  -4.055  1.00  0.00           H  
HETATM   86  H   UNL     1       6.704  -4.749  -4.768  1.00  0.00           H  
HETATM   87  H   UNL     1       7.587  -6.516  -3.303  1.00  0.00           H  
HETATM   88  H   UNL     1       8.562  -5.941  -1.118  1.00  0.00           H  
HETATM   89  H   UNL     1       8.666  -3.592  -0.393  1.00  0.00           H  
HETATM   90  H   UNL     1       8.734  -1.864   0.136  1.00  0.00           H  
HETATM   91  H   UNL     1       8.822   0.489   0.849  1.00  0.00           H  
HETATM   92  H   UNL     1       4.869  -1.010  -0.484  1.00  0.00           H  
HETATM   93  H   UNL     1       4.390   0.278  -1.616  1.00  0.00           H  
HETATM   94  H   UNL     1       2.689   1.070   0.005  1.00  0.00           H  
HETATM   95  H   UNL     1       2.547  -1.929  -0.546  1.00  0.00           H  
HETATM   96  H   UNL     1       0.367   0.151  -0.057  1.00  0.00           H  
HETATM   97  H   UNL     1      -0.186  -1.615  -1.757  1.00  0.00           H  
HETATM   98  H   UNL     1       0.176  -2.857  -0.533  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.906  -3.132   2.067  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.332  -2.685   0.398  1.00  0.00           H  
HETATM  101  H   UNL     1      -8.117  -0.705   2.714  1.00  0.00           H  
HETATM  102  H   UNL     1      -9.938   1.273   1.792  1.00  0.00           H  
HETATM  103  H   UNL     1      -9.299   0.068  -1.760  1.00  0.00           H  
HETATM  104  H   UNL     1     -13.278   4.563   0.761  1.00  0.00           H  
HETATM  105  H   UNL     1     -11.284  -1.134   0.440  1.00  0.00           H  
HETATM  106  H   UNL     1     -10.248  -2.565   1.988  1.00  0.00           H  
HETATM  107  H   UNL     1     -11.813   3.412  -4.178  1.00  0.00           H  
HETATM  108  H   UNL     1     -12.877   4.651  -3.781  1.00  0.00           H  
HETATM  109  H   UNL     1       9.127   5.151   1.997  1.00  0.00           H  
HETATM  110  H   UNL     1      -4.845  -3.853   2.455  1.00  0.00           H  
HETATM  111  H   UNL     1     -12.671  -0.814   2.399  1.00  0.00           H  
HETATM  112  H   UNL     1     -11.222  -1.439   3.884  1.00  0.00           H  
HETATM  113  H   UNL     1       3.541  -1.193   1.612  1.00  0.00           H  
HETATM  114  H   UNL     1       1.694   0.334  -2.153  1.00  0.00           H  
HETATM  115  H   UNL     1       1.219  -2.112   1.549  1.00  0.00           H  
HETATM  116  H   UNL     1      -3.278  -1.277  -2.359  1.00  0.00           H  
CONECT    1    3    3   14   46                                       
CONECT    2   11   11   17   70                                       
CONECT    3    4   12    1    1                                       
CONECT    4    6    6    3   71                                       
CONECT    5    9   27   10   72                                       
CONECT    6    7    4    4   22                                       
CONECT    7    6   73   74   75                                       
CONECT    8   52    9   12   76                                       
CONECT    9    8    5   77   78                                       
CONECT   10    5   26   26   11                                       
CONECT   11   10    2    2   79                                       
CONECT   12    8    3   27                                            
CONECT   13   28   29   80                                            
CONECT   14   22   22    1   81                                       
CONECT   15   30   30   29                                            
CONECT   16   22   82   83   84                                       
CONECT   17   25   25    2   18                                       
CONECT   18   17   19   19   24                                       
CONECT   19   18   18   20   85                                       
CONECT   20   19   21   21   86                                       
CONECT   21   20   20   23   87                                       
CONECT   22    6   16   14   14                                       
CONECT   23   24   24   21   88                                       
CONECT   24   18   23   23   89                                       
CONECT   25   26   17   17   90                                       
CONECT   26   10   10   25   91                                       
CONECT   27   12    5   28   30                                       
CONECT   28   60   60   27   13                                       
CONECT   29   13   15   61   61                                       
CONECT   30   27   46   15   15                                       
CONECT   31   46   32   92   93                                       
CONECT   32   62   31   33   94                                       
CONECT   33   32   63   34   95                                       
CONECT   34   33   64   35   96                                       
CONECT   35   34   65   97   98                                       
CONECT   36   56   37   99  100                                       
CONECT   37   45   36   57  101                                       
CONECT   38   44   47   57  102                                       
CONECT   39   48   48   47  103                                       
CONECT   40   48   43   43   41                                       
CONECT   41   40   49   50   50                                       
CONECT   42   51   51   50  104                                       
CONECT   43   47   40   40   51                                       
CONECT   44   58   45   38  105                                       
CONECT   45   44   59   37  106                                       
CONECT   46    1   30   31                                            
CONECT   47   39   38   43                                            
CONECT   48   39   39   40                                            
CONECT   49   41  107  108                                            
CONECT   50   41   41   42                                            
CONECT   51   43   42   42                                            
CONECT   52    8  109                                                 
CONECT   53   69   68                                                 
CONECT   54   69   69                                                 
CONECT   55   69  110                                                 
CONECT   56   69   36                                                 
CONECT   57   38   37                                                 
CONECT   58   44  111                                                 
CONECT   59   45  112                                                 
CONECT   60   28   28                                                 
CONECT   61   29   29                                                 
CONECT   62   32  113                                                 
CONECT   63   33  114                                                 
CONECT   64   34  115                                                 
CONECT   65   35   68                                                 
CONECT   66   68  116                                                 
CONECT   67   68   68                                                 
CONECT   68   65   53   67   67                                       
CONECT   68   66                                                      
CONECT   69   54   54   55   56                                       
CONECT   69   53                                                      
CONECT   70    2                                                      
CONECT   71    4                                                      
CONECT   72    5                                                      
CONECT   73    7                                                      
CONECT   74    7                                                      
CONECT   75    7                                                      
CONECT   76    8                                                      
CONECT   77    9                                                      
CONECT   78    9                                                      
CONECT   79   11                                                      
CONECT   80   13                                                      
CONECT   81   14                                                      
CONECT   82   16                                                      
CONECT   83   16                                                      
CONECT   84   16                                                      
CONECT   85   19                                                      
CONECT   86   20                                                      
CONECT   87   21                                                      
CONECT   88   23                                                      
CONECT   89   24                                                      
CONECT   90   25                                                      
CONECT   91   26                                                      
CONECT   92   31                                                      
CONECT   93   31                                                      
CONECT   94   32                                                      
CONECT   95   33                                                      
CONECT   96   34                                                      
CONECT   97   35                                                      
CONECT   98   35                                                      
CONECT   99   36                                                      
CONECT  100   36                                                      
CONECT  101   37                                                      
CONECT  102   38                                                      
CONECT  103   39                                                      
CONECT  104   42                                                      
CONECT  105   44                                                      
CONECT  106   45                                                      
CONECT  107   49                                                      
CONECT  108   49                                                      
CONECT  109   52                                                      
CONECT  110   55                                                      
CONECT  111   58                                                      
CONECT  112   59                                                      
CONECT  113   62                                                      
CONECT  114   63                                                      
CONECT  115   64                                                      
CONECT  116   66                                                      
MASTER        0    0    0    0    0    0    0    0  116    0  116    0
END
