COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       0.846   1.500   0.438  1.00  0.00           C  
HETATM    2  N   UNK A   1       3.285   1.416   0.649  1.00  0.00           N  
HETATM    3  C   UNK A   1       4.439   1.181   1.527  1.00  0.00           C  
HETATM    4  C   UNK A   1       7.587   2.766  -1.760  1.00  0.00           C  
HETATM    5  C   UNK A   1       9.102   3.032  -1.587  1.00  0.00           C  
HETATM    6  C   UNK A   0      -2.880   2.935  -2.649  1.00  0.00           C  
HETATM    7  C   UNK A   0      -2.973   3.611  -1.279  1.00  0.00           C  
HETATM    8  C   UNK A   0      -3.085   5.125  -1.464  1.00  0.00           C  
HETATM    9  C   UNK A   0      -4.208   3.095  -0.539  1.00  0.00           C  
HETATM   10  C   UNK A   0      -4.017   1.615  -0.197  1.00  0.00           C  
HETATM   11  C   UNK A   0      -2.858   1.465   0.754  1.00  0.00           C  
HETATM   12  O   UNK A   0      -3.063   1.255   1.931  1.00  0.00           O  
HETATM   13  N   UNK A   0      -1.594   1.565   0.298  1.00  0.00           N  
HETATM   14  C   UNK A   0      -0.467   1.323   1.202  1.00  0.00           C  
HETATM   15  C   UNK A   0       2.023   1.247   1.383  1.00  0.00           C  
HETATM   16  C   UNK A   1       5.626   0.697   0.690  1.00  0.00           C  
HETATM   17  O   UNK A   1       5.952   1.686  -0.290  1.00  0.00           O  
HETATM   18  C   UNK A   1       7.323   1.676  -0.691  1.00  0.00           C  
HETATM   19  O   UNK A   1       8.177   2.066   0.406  1.00  0.00           O  
HETATM   20  C   UNK A   1       9.415   2.522  -0.167  1.00  0.00           C  
HETATM   21  C   UNK A   1       9.993   3.658   0.679  1.00  0.00           C  
HETATM   22  N   UNK A   1      10.398   3.135   1.991  1.00  0.00           N  
HETATM   23  O   UNK A   1       9.853   2.300  -2.558  1.00  0.00           O  
HETATM   24  O   UNK A   1       7.302   2.274  -3.071  1.00  0.00           O  
HETATM   25  C   UNK A   1       5.256  -0.612  -0.010  1.00  0.00           C  
HETATM   26  O   UNK A   1       6.411  -1.173  -0.671  1.00  0.00           O  
HETATM   27  C   UNK A   1       6.105  -2.572  -0.851  1.00  0.00           C  
HETATM   28  N   UNK A   1       7.335  -3.342  -1.049  1.00  0.00           N  
HETATM   29  C   UNK A   1       8.332  -3.249  -0.151  1.00  0.00           C  
HETATM   30  N   UNK A   1       9.473  -3.945  -0.309  1.00  0.00           N  
HETATM   31  C   UNK A   1       9.635  -4.752  -1.377  1.00  0.00           C  
HETATM   32  O   UNK A   1      10.667  -5.383  -1.520  1.00  0.00           O  
HETATM   33  O   UNK A   1       8.201  -2.524   0.817  1.00  0.00           O  
HETATM   34  C   UNK A   1       7.457  -4.155  -2.144  1.00  0.00           C  
HETATM   35  C   UNK A   1       8.593  -4.860  -2.330  1.00  0.00           C  
HETATM   36  C   UNK A   1       4.839  -1.677   1.028  1.00  0.00           C  
HETATM   37  C   UNK A   1       5.410  -2.997   0.462  1.00  0.00           C  
HETATM   38  O   UNK A   1       4.357  -3.924   0.194  1.00  0.00           O  
HETATM   39  O   UNK A   1       3.415  -1.750   1.127  1.00  0.00           O  
HETATM   40  C   UNK A   1       4.808   2.464   2.227  1.00  0.00           C  
HETATM   41  O   UNK A   1       5.841   2.487   3.084  1.00  0.00           O  
HETATM   42  O   UNK A   1       4.174   3.470   2.016  1.00  0.00           O  
HETATM   43  N   UNK A   0      -5.235   1.098   0.431  1.00  0.00           N  
HETATM   44  C   UNK A   0      -6.224   0.591  -0.331  1.00  0.00           C  
HETATM   45  O   UNK A   0      -6.142   0.638  -1.541  1.00  0.00           O  
HETATM   46  C   UNK A   0      -7.432  -0.034   0.318  1.00  0.00           C  
HETATM   47  N   UNK A   0      -8.454  -0.292  -0.699  1.00  0.00           N  
HETATM   48  C   UNK A   0      -9.753  -0.363  -0.345  1.00  0.00           C  
HETATM   49  O   UNK A   0     -10.076  -0.212   0.817  1.00  0.00           O  
HETATM   50  N   UNK A   1     -10.694  -0.600  -1.281  1.00  0.00           N  
HETATM   51  C   UNK A   1     -12.106  -0.677  -0.897  1.00  0.00           C  
HETATM   52  C   UNK A   1     -12.702   0.732  -0.865  1.00  0.00           C  
HETATM   53  C   UNK A   1     -11.942   1.585   0.153  1.00  0.00           C  
HETATM   54  C   UNK A   1     -12.585   1.367  -2.252  1.00  0.00           C  
HETATM   55  C   UNK A   1     -12.854  -1.516  -1.899  1.00  0.00           C  
HETATM   56  O   UNK A   1     -12.269  -2.002  -2.838  1.00  0.00           O  
HETATM   57  O   UNK A   1     -14.172  -1.726  -1.749  1.00  0.00           O  
HETATM   58  C   UNK A   0      -7.028  -1.352   0.982  1.00  0.00           C  
HETATM   59  N   UNK A   0      -5.982  -1.107   1.986  1.00  0.00           N  
HETATM   60  C   UNK A   0      -5.751  -2.063   2.946  1.00  0.00           C  
HETATM   61  N   UNK A   0      -6.565  -3.046   3.152  1.00  0.00           N  
HETATM   62  N   UNK A   0      -4.614  -1.971   3.714  1.00  0.00           N  
HETATM   63  C   UNK A   0      -8.234  -1.959   1.714  1.00  0.00           C  
HETATM   64  C   UNK A   0      -7.788  -3.258   2.388  1.00  0.00           C  
HETATM   65  H   UNK A   0       0.885   0.790  -0.388  1.00  0.00           H  
HETATM   66  H   UNK A   0       0.906   2.515   0.047  1.00  0.00           H  
HETATM   67  H   UNK A   1       3.317   0.814  -0.160  1.00  0.00           H  
HETATM   68  H   UNK A   1       4.184   0.423   2.267  1.00  0.00           H  
HETATM   69  H   UNK A   1       7.008   3.665  -1.550  1.00  0.00           H  
HETATM   70  H   UNK A   1       9.314   4.099  -1.664  1.00  0.00           H  
HETATM   71  H   UNK A   0      -2.861   1.853  -2.520  1.00  0.00           H  
HETATM   72  H   UNK A   0      -3.745   3.214  -3.251  1.00  0.00           H  
HETATM   73  H   UNK A   0      -1.968   3.257  -3.152  1.00  0.00           H  
HETATM   74  H   UNK A   0      -2.079   3.381  -0.699  1.00  0.00           H  
HETATM   75  H   UNK A   0      -3.979   5.356  -2.044  1.00  0.00           H  
HETATM   76  H   UNK A   0      -3.151   5.607  -0.488  1.00  0.00           H  
HETATM   77  H   UNK A   0      -2.205   5.493  -1.992  1.00  0.00           H  
HETATM   78  H   UNK A   0      -4.346   3.665   0.380  1.00  0.00           H  
HETATM   79  H   UNK A   0      -5.087   3.210  -1.173  1.00  0.00           H  
HETATM   80  H   UNK A   0      -3.813   1.055  -1.110  1.00  0.00           H  
HETATM   81  H   UNK A   0      -1.431   1.797  -0.630  1.00  0.00           H  
HETATM   82  H   UNK A   0      -0.527   0.307   1.593  1.00  0.00           H  
HETATM   83  H   UNK A   0      -0.506   2.033   2.028  1.00  0.00           H  
HETATM   84  H   UNK A   0       1.985   1.957   2.209  1.00  0.00           H  
HETATM   85  H   UNK A   0       1.964   0.231   1.773  1.00  0.00           H  
HETATM   86  H   UNK A   1       6.485   0.532   1.339  1.00  0.00           H  
HETATM   87  H   UNK A   1       7.606   0.692  -1.066  1.00  0.00           H  
HETATM   88  H   UNK A   1      10.125   1.696  -0.218  1.00  0.00           H  
HETATM   89  H   UNK A   1      10.860   4.083   0.174  1.00  0.00           H  
HETATM   90  H   UNK A   1       9.236   4.431   0.815  1.00  0.00           H  
HETATM   91  H   UNK A   1      11.052   2.372   1.889  1.00  0.00           H  
HETATM   92  H   UNK A   1      10.784   3.867   2.569  1.00  0.00           H  
HETATM   93  H   UNK A   1       9.652   2.541  -3.473  1.00  0.00           H  
HETATM   94  H   UNK A   1       6.372   2.050  -3.214  1.00  0.00           H  
HETATM   95  H   UNK A   1       4.451  -0.445  -0.726  1.00  0.00           H  
HETATM   96  H   UNK A   1       5.433  -2.707  -1.699  1.00  0.00           H  
HETATM   97  H   UNK A   1      10.182  -3.866   0.349  1.00  0.00           H  
HETATM   98  H   UNK A   1       6.650  -4.228  -2.858  1.00  0.00           H  
HETATM   99  H   UNK A   1       8.705  -5.501  -3.192  1.00  0.00           H  
HETATM  100  H   UNK A   1       5.278  -1.455   2.001  1.00  0.00           H  
HETATM  101  H   UNK A   1       6.133  -3.428   1.154  1.00  0.00           H  
HETATM  102  H   UNK A   1       4.653  -4.747  -0.218  1.00  0.00           H  
HETATM  103  H   UNK A   1       3.098  -2.404   1.765  1.00  0.00           H  
HETATM  104  H   UNK A   1       6.040   3.333   3.509  1.00  0.00           H  
HETATM  105  H   UNK A   0      -5.330   1.120   1.396  1.00  0.00           H  
HETATM  106  H   UNK A   0      -7.831   0.644   1.071  1.00  0.00           H  
HETATM  107  H   UNK A   0      -8.197  -0.413  -1.626  1.00  0.00           H  
HETATM  108  H   UNK A   1     -10.436  -0.721  -2.208  1.00  0.00           H  
HETATM  109  H   UNK A   1     -12.189  -1.129   0.091  1.00  0.00           H  
HETATM  110  H   UNK A   1     -13.753   0.675  -0.579  1.00  0.00           H  
HETATM  111  H   UNK A   1     -12.026   1.132   1.141  1.00  0.00           H  
HETATM  112  H   UNK A   1     -10.892   1.642  -0.133  1.00  0.00           H  
HETATM  113  H   UNK A   1     -12.367   2.588   0.176  1.00  0.00           H  
HETATM  114  H   UNK A   1     -13.126   0.760  -2.977  1.00  0.00           H  
HETATM  115  H   UNK A   1     -13.010   2.371  -2.229  1.00  0.00           H  
HETATM  116  H   UNK A   1     -11.534   1.424  -2.537  1.00  0.00           H  
HETATM  117  H   UNK A   1     -14.608  -2.271  -2.418  1.00  0.00           H  
HETATM  118  H   UNK A   0      -6.662  -2.050   0.228  1.00  0.00           H  
HETATM  119  H   UNK A   0      -5.465  -0.286   1.971  1.00  0.00           H  
HETATM  120  H   UNK A   0      -3.991  -1.241   3.573  1.00  0.00           H  
HETATM  121  H   UNK A   0      -4.434  -2.637   4.396  1.00  0.00           H  
HETATM  122  H   UNK A   0      -8.594  -1.260   2.469  1.00  0.00           H  
HETATM  123  H   UNK A   0      -9.030  -2.168   1.000  1.00  0.00           H  
HETATM  124  H   UNK A   0      -7.609  -4.016   1.625  1.00  0.00           H  
HETATM  125  H   UNK A   0      -8.575  -3.604   3.059  1.00  0.00           H  
CONECT    1   15   14   65   66                                       
CONECT    2   15    3   67                                            
CONECT    3   40    2   16   68                                       
CONECT    4   18    5   24   69                                       
CONECT    5    4   20   23   70                                       
CONECT    6    7   71   72   73                                       
CONECT    7    8    6    9   74                                       
CONECT    8    7   75   76   77                                       
CONECT    9    7   10   78   79                                       
CONECT   10   43    9   11   80                                       
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   81                                            
CONECT   14   13    1   82   83                                       
CONECT   15    1    2   84   85                                       
CONECT   16    3   25   17   86                                       
CONECT   17   16   18                                                 
CONECT   18   17   19    4   87                                       
CONECT   19   18   20                                                 
CONECT   20   21    5   19   88                                       
CONECT   21   22   20   89   90                                       
CONECT   22   21   91   92                                            
CONECT   23    5   93                                                 
CONECT   24    4   94                                                 
CONECT   25   26   16   36   95                                       
CONECT   26   27   25                                                 
CONECT   27   26   28   37   96                                       
CONECT   28   29   27   34                                            
CONECT   29   33   33   30   28                                       
CONECT   30   29   31   97                                            
CONECT   31   30   32   32   35                                       
CONECT   32   31   31                                                 
CONECT   33   29   29                                                 
CONECT   34   28   35   35   98                                       
CONECT   35   31   34   34   99                                       
CONECT   36   25   37   39  100                                       
CONECT   37   27   38   36  101                                       
CONECT   38   37  102                                                 
CONECT   39   36  103                                                 
CONECT   40   42   42   41    3                                       
CONECT   41   40  104                                                 
CONECT   42   40   40                                                 
CONECT   43   44   10  105                                            
CONECT   44   46   45   45   43                                       
CONECT   45   44   44                                                 
CONECT   46   47   58   44  106                                       
CONECT   47   48   46  107                                            
CONECT   48   50   47   49   49                                       
CONECT   49   48   48                                                 
CONECT   50   51   48  108                                            
CONECT   51   55   52   50  109                                       
CONECT   52   54   51   53  110                                       
CONECT   53   52  111  112  113                                       
CONECT   54   52  114  115  116                                       
CONECT   55   56   56   57   51                                       
CONECT   56   55   55                                                 
CONECT   57   55  117                                                 
CONECT   58   63   46   59  118                                       
CONECT   59   58   60  119                                            
CONECT   60   61   61   59   62                                       
CONECT   61   64   60   60                                            
CONECT   62   60  120  121                                            
CONECT   63   64   58  122  123                                       
CONECT   64   63   61  124  125                                       
CONECT   65    1                                                      
CONECT   66    1                                                      
CONECT   67    2                                                      
CONECT   68    3                                                      
CONECT   69    4                                                      
CONECT   70    5                                                      
CONECT   71    6                                                      
CONECT   72    6                                                      
CONECT   73    6                                                      
CONECT   74    7                                                      
CONECT   75    8                                                      
CONECT   76    8                                                      
CONECT   77    8                                                      
CONECT   78    9                                                      
CONECT   79    9                                                      
CONECT   80   10                                                      
CONECT   81   13                                                      
CONECT   82   14                                                      
CONECT   83   14                                                      
CONECT   84   15                                                      
CONECT   85   15                                                      
CONECT   86   16                                                      
CONECT   87   18                                                      
CONECT   88   20                                                      
CONECT   89   21                                                      
CONECT   90   21                                                      
CONECT   91   22                                                      
CONECT   92   22                                                      
CONECT   93   23                                                      
CONECT   94   24                                                      
CONECT   95   25                                                      
CONECT   96   27                                                      
CONECT   97   30                                                      
CONECT   98   34                                                      
CONECT   99   35                                                      
CONECT  100   36                                                      
CONECT  101   37                                                      
CONECT  102   38                                                      
CONECT  103   39                                                      
CONECT  104   41                                                      
CONECT  105   43                                                      
CONECT  106   46                                                      
CONECT  107   47                                                      
CONECT  108   50                                                      
CONECT  109   51                                                      
CONECT  110   52                                                      
CONECT  111   53                                                      
CONECT  112   53                                                      
CONECT  113   53                                                      
CONECT  114   54                                                      
CONECT  115   54                                                      
CONECT  116   54                                                      
CONECT  117   57                                                      
CONECT  118   58                                                      
CONECT  119   59                                                      
CONECT  120   62                                                      
CONECT  121   62                                                      
CONECT  122   63                                                      
CONECT  123   63                                                      
CONECT  124   64                                                      
CONECT  125   64                                                      
MASTER        0    0    0    0    0    0    0    0  125    0  125    0
END
