COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.303  -1.256   0.561  1.00  0.00           C  
HETATM    2  O   UNL     1       7.001  -2.351   0.994  1.00  0.00           O  
HETATM    3  O   UNL     1       8.478  -1.084  -0.072  1.00  0.00           O  
HETATM    4  C   UNL     1       9.335  -2.249  -0.202  1.00  0.00           C  
HETATM    5  C   UNL     1      10.596  -1.867  -0.932  1.00  0.00           C  
HETATM    6  C   UNL     1      11.697  -1.423  -0.225  1.00  0.00           C  
HETATM    7  C   UNL     1      12.854  -1.072  -0.895  1.00  0.00           C  
HETATM    8  C   UNL     1      12.910  -1.166  -2.273  1.00  0.00           C  
HETATM    9  C   UNL     1      11.809  -1.610  -2.981  1.00  0.00           C  
HETATM   10  C   UNL     1      10.654  -1.965  -2.310  1.00  0.00           C  
HETATM   11  N   UNL     1       6.458  -0.216   0.710  1.00  0.00           N  
HETATM   12  C   UNL     1       5.132  -0.428   1.295  1.00  0.00           C  
HETATM   13  C   UNL     1       4.172   0.596   0.746  1.00  0.00           C  
HETATM   14  O   UNL     1       4.593   1.562   0.146  1.00  0.00           O  
HETATM   15  C   UNL     1       5.216  -0.283   2.816  1.00  0.00           C  
HETATM   16  C   UNL     1       3.865  -0.639   3.438  1.00  0.00           C  
HETATM   17  C   UNL     1       3.580  -2.127   3.224  1.00  0.00           C  
HETATM   18  C   UNL     1       3.898  -0.336   4.937  1.00  0.00           C  
HETATM   19  N   UNL     1       2.845   0.438   0.922  1.00  0.00           N  
HETATM   20  C   UNL     1       1.906   1.369   0.290  1.00  0.00           C  
HETATM   21  C   UNL     1       0.619   1.393   1.074  1.00  0.00           C  
HETATM   22  O   UNL     1       0.498   0.701   2.062  1.00  0.00           O  
HETATM   23  C   UNL     1       1.623   0.914  -1.142  1.00  0.00           C  
HETATM   24  C   UNL     1       2.905   1.008  -1.971  1.00  0.00           C  
HETATM   25  C   UNL     1       2.626   0.560  -3.382  1.00  0.00           C  
HETATM   26  O   UNL     1       1.515   0.202  -3.694  1.00  0.00           O  
HETATM   27  O   UNL     1       3.611   0.559  -4.294  1.00  0.00           O  
HETATM   28  N   UNL     1      -0.397   2.184   0.677  1.00  0.00           N  
HETATM   29  C   UNL     1      -1.648   2.207   1.438  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.778   2.629   0.535  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.560   2.886  -0.630  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.522   3.200   2.596  1.00  0.00           C  
HETATM   33  O   UNL     1      -1.372   4.522   2.075  1.00  0.00           O  
HETATM   34  C   UNL     1      -0.299   2.843   3.443  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.571  -4.671  -0.500  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.763  -4.259  -1.324  1.00  0.00           C  
HETATM   37  N   UNL     1      -4.031   2.723   1.022  1.00  0.00           N  
HETATM   38  C   UNL     1      -6.399  -5.492   1.018  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.400  -6.390   0.695  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.482  -5.980  -0.060  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.566  -3.771  -0.180  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.949  -0.064  -0.493  1.00  0.00           C  
HETATM   43  C   UNL     1      -5.826   0.756   0.143  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.966   2.201  -0.262  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.808  -1.509  -0.088  1.00  0.00           C  
HETATM   46  C   UNL     1      -5.219   4.519  -0.212  1.00  0.00           C  
HETATM   47  C   UNL     1      -4.551   4.734  -1.545  1.00  0.00           C  
HETATM   48  C   UNL     1      -8.608  -2.075  -1.646  1.00  0.00           C  
HETATM   49  N   UNL     1      -5.082   3.115   0.183  1.00  0.00           N  
HETATM   50  N   UNL     1      -7.630  -2.439  -0.612  1.00  0.00           N  
HETATM   51  O   UNL     1      -5.955  -1.834   0.710  1.00  0.00           O  
HETATM   52  O   UNL     1      -6.876   2.540  -0.989  1.00  0.00           O  
HETATM   53  O   UNL     1      -4.015   3.809  -2.109  1.00  0.00           O  
HETATM   54  C   UNL     1      -9.946  -2.742  -1.280  1.00  0.00           C  
HETATM   55  O   UNL     1      -4.551   5.953  -2.107  1.00  0.00           O  
HETATM   56  C   UNL     1      -6.478  -4.185   0.579  1.00  0.00           C  
HETATM   57  H   UNL     1       9.589  -2.625   0.789  1.00  0.00           H  
HETATM   58  H   UNL     1       8.811  -3.024  -0.761  1.00  0.00           H  
HETATM   59  H   UNL     1      11.654  -1.349   0.852  1.00  0.00           H  
HETATM   60  H   UNL     1      13.715  -0.724  -0.342  1.00  0.00           H  
HETATM   61  H   UNL     1      13.814  -0.891  -2.797  1.00  0.00           H  
HETATM   62  H   UNL     1      11.853  -1.683  -4.057  1.00  0.00           H  
HETATM   63  H   UNL     1       9.795  -2.316  -2.863  1.00  0.00           H  
HETATM   64  H   UNL     1       6.729   0.672   0.430  1.00  0.00           H  
HETATM   65  H   UNL     1       4.780  -1.428   1.044  1.00  0.00           H  
HETATM   66  H   UNL     1       5.982  -0.956   3.203  1.00  0.00           H  
HETATM   67  H   UNL     1       5.474   0.745   3.070  1.00  0.00           H  
HETATM   68  H   UNL     1       3.080  -0.047   2.965  1.00  0.00           H  
HETATM   69  H   UNL     1       4.322  -2.719   3.761  1.00  0.00           H  
HETATM   70  H   UNL     1       2.585  -2.364   3.600  1.00  0.00           H  
HETATM   71  H   UNL     1       3.632  -2.358   2.160  1.00  0.00           H  
HETATM   72  H   UNL     1       4.100   0.724   5.089  1.00  0.00           H  
HETATM   73  H   UNL     1       2.934  -0.589   5.380  1.00  0.00           H  
HETATM   74  H   UNL     1       4.682  -0.927   5.410  1.00  0.00           H  
HETATM   75  H   UNL     1       2.512  -0.293   1.466  1.00  0.00           H  
HETATM   76  H   UNL     1       2.341   2.368   0.275  1.00  0.00           H  
HETATM   77  H   UNL     1       1.271  -0.118  -1.133  1.00  0.00           H  
HETATM   78  H   UNL     1       0.858   1.554  -1.582  1.00  0.00           H  
HETATM   79  H   UNL     1       3.257   2.040  -1.980  1.00  0.00           H  
HETATM   80  H   UNL     1       3.670   0.368  -1.531  1.00  0.00           H  
HETATM   81  H   UNL     1       3.384   0.263  -5.186  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.300   2.737  -0.114  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.851   1.212   1.834  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.418   3.153   3.214  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.592   4.638   1.514  1.00  0.00           H  
HETATM   86  H   UNL     1       0.598   2.891   2.824  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.209   3.551   4.267  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.413   1.835   3.840  1.00  0.00           H  
HETATM   89  H   UNL     1      -9.611  -4.573  -2.357  1.00  0.00           H  
HETATM   90  H   UNL     1     -10.657  -4.741  -0.930  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.206   2.518   1.954  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.553  -5.814   1.608  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.339  -7.411   1.039  1.00  0.00           H  
HETATM   94  H   UNL     1      -9.262  -6.685  -0.308  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.913   0.316  -0.155  1.00  0.00           H  
HETATM   96  H   UNL     1      -6.887   0.016  -1.579  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.887   0.676   1.229  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.861   0.376  -0.195  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.747   5.155   0.538  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.276   4.773  -0.290  1.00  0.00           H  
HETATM  101  H   UNL     1      -8.731  -0.992  -1.672  1.00  0.00           H  
HETATM  102  H   UNL     1      -8.268  -2.432  -2.618  1.00  0.00           H  
HETATM  103  H   UNL     1     -10.708  -2.445  -2.000  1.00  0.00           H  
HETATM  104  H   UNL     1     -10.250  -2.440  -0.278  1.00  0.00           H  
HETATM  105  H   UNL     1      -4.110   6.042  -2.963  1.00  0.00           H  
HETATM  106  H   UNL     1      -5.697  -3.483   0.830  1.00  0.00           H  
CONECT    1    2    2    3   11                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   57   58                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   59                                       
CONECT    7    6    8    8   60                                       
CONECT    8    7    7    9   61                                       
CONECT    9    8   10   10   62                                       
CONECT   10    5    9    9   63                                       
CONECT   11   12   64    1                                            
CONECT   12   11   13   15   65                                       
CONECT   13   12   14   14   19                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   66   67                                       
CONECT   16   15   17   18   68                                       
CONECT   17   16   69   70   71                                       
CONECT   18   16   72   73   74                                       
CONECT   19   20   75   13                                            
CONECT   20   19   21   23   76                                       
CONECT   21   20   22   22   28                                       
CONECT   22   21   21                                                 
CONECT   23   20   24   77   78                                       
CONECT   24   23   25   79   80                                       
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   81                                                 
CONECT   28   29   82   21                                            
CONECT   29   28   30   32   83                                       
CONECT   30   29   31   31   37                                       
CONECT   31   30   30                                                 
CONECT   32   29   33   34   84                                       
CONECT   33   32   85                                                 
CONECT   34   32   86   87   88                                       
CONECT   35   36   40   40   41                                       
CONECT   36   35   54   89   90                                       
CONECT   37   49   91   30                                            
CONECT   38   39   39   56   92                                       
CONECT   39   38   38   40   93                                       
CONECT   40   35   35   39   94                                       
CONECT   41   35   50   56   56                                       
CONECT   42   43   45   95   96                                       
CONECT   43   42   44   97   98                                       
CONECT   44   43   49   52   52                                       
CONECT   45   42   50   51   51                                       
CONECT   46   47   49   99  100                                       
CONECT   47   46   53   53   55                                       
CONECT   48   50   54  101  102                                       
CONECT   49   37   44   46                                            
CONECT   50   41   45   48                                            
CONECT   51   45   45                                                 
CONECT   52   44   44                                                 
CONECT   53   47   47                                                 
CONECT   54   36   48  103  104                                       
CONECT   55   47  105                                                 
CONECT   56   38   41   41  106                                       
CONECT   57    4                                                      
CONECT   58    4                                                      
CONECT   59    6                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   15                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   17                                                      
CONECT   70   17                                                      
CONECT   71   17                                                      
CONECT   72   18                                                      
CONECT   73   18                                                      
CONECT   74   18                                                      
CONECT   75   19                                                      
CONECT   76   20                                                      
CONECT   77   23                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   24                                                      
CONECT   81   27                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   32                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
CONECT   87   34                                                      
CONECT   88   34                                                      
CONECT   89   36                                                      
CONECT   90   36                                                      
CONECT   91   37                                                      
CONECT   92   38                                                      
CONECT   93   39                                                      
CONECT   94   40                                                      
CONECT   95   42                                                      
CONECT   96   42                                                      
CONECT   97   43                                                      
CONECT   98   43                                                      
CONECT   99   46                                                      
CONECT  100   46                                                      
CONECT  101   48                                                      
CONECT  102   48                                                      
CONECT  103   54                                                      
CONECT  104   54                                                      
CONECT  105   55                                                      
CONECT  106   56                                                      
MASTER        0    0    0    0    0    0    0    0  106    0  106    0
END
