COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.758  -0.265  -2.620  1.00  0.00           O  
HETATM    2  C   UNL     1       0.537  -0.042  -1.449  1.00  0.00           C  
HETATM    3  C   UNL     1       1.637  -0.200  -0.431  1.00  0.00           C  
HETATM    4  C   UNL     1       1.228  -1.251   0.603  1.00  0.00           C  
HETATM    5  C   UNL     1       2.921  -0.646  -1.133  1.00  0.00           C  
HETATM    6  O   UNL     1       3.303   0.335  -2.098  1.00  0.00           O  
HETATM    7  C   UNL     1       4.038  -0.807  -0.099  1.00  0.00           C  
HETATM    8  N   UNL     1       5.267  -1.234  -0.771  1.00  0.00           N  
HETATM    9  C   UNL     1       6.390  -1.440  -0.054  1.00  0.00           C  
HETATM   10  O   UNL     1       6.382  -1.271   1.147  1.00  0.00           O  
HETATM   11  C   UNL     1       7.655  -1.880  -0.745  1.00  0.00           C  
HETATM   12  C   UNL     1       8.771  -2.041   0.288  1.00  0.00           C  
HETATM   13  C   UNL     1      10.042  -2.535  -0.407  1.00  0.00           C  
HETATM   14  C   UNL     1       9.778  -3.897  -1.052  1.00  0.00           C  
HETATM   15  C   UNL     1      10.444  -1.525  -1.489  1.00  0.00           C  
HETATM   16  C   UNL     1      10.549  -0.136  -0.848  1.00  0.00           C  
HETATM   17  O   UNL     1       9.023  -0.783   0.914  1.00  0.00           O  
HETATM   18  C   UNL     1       9.240   0.176  -0.119  1.00  0.00           C  
HETATM   19  C   UNL     1       9.322   1.575   0.495  1.00  0.00           C  
HETATM   20  C   UNL     1       7.991   1.935   1.105  1.00  0.00           C  
HETATM   21  O   UNL     1       7.068   1.149   1.053  1.00  0.00           O  
HETATM   22  C   UNL     1       7.813   3.231   1.759  1.00  0.00           C  
HETATM   23  C   UNL     1       6.635   3.549   2.299  1.00  0.00           C  
HETATM   24  C   UNL     1       6.451   4.885   2.973  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.693   0.347  -1.058  1.00  0.00           N  
HETATM   26  C   UNL     1      -1.762   0.500  -2.048  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.046   0.947  -1.346  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.163   1.107  -2.380  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.447   1.554  -1.678  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.594   1.590  -2.691  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.776   0.202  -3.307  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.882   2.006  -1.971  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.625   3.322  -1.229  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.401   3.154  -0.325  1.00  0.00           C  
HETATM   35  O   UNL     1      -5.255   2.853  -1.120  1.00  0.00           O  
HETATM   36  C   UNL     1      -6.159   4.455   0.445  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.913   4.291   1.323  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.089   3.043   2.195  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.416   1.848   1.296  1.00  0.00           C  
HETATM   40  O   UNL     1      -6.635   2.089   0.597  1.00  0.00           O  
HETATM   41  C   UNL     1      -5.563   0.590   2.154  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.766  -0.625   1.247  1.00  0.00           C  
HETATM   43  C   UNL     1      -5.913  -1.883   2.105  1.00  0.00           C  
HETATM   44  C   UNL     1      -4.603  -2.148   2.851  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.235  -3.060   1.221  1.00  0.00           C  
HETATM   46  C   UNL     1      -7.420  -3.616   1.275  1.00  0.00           C  
HETATM   47  C   UNL     1      -8.514  -2.978   2.092  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.689  -4.892   0.521  1.00  0.00           C  
HETATM   49  C   UNL     1      -8.727  -4.630  -0.572  1.00  0.00           C  
HETATM   50  O   UNL     1      -8.186  -5.883   1.423  1.00  0.00           O  
HETATM   51  H   UNL     1       1.809   0.754   0.069  1.00  0.00           H  
HETATM   52  H   UNL     1       1.056  -2.204   0.103  1.00  0.00           H  
HETATM   53  H   UNL     1       2.024  -1.365   1.339  1.00  0.00           H  
HETATM   54  H   UNL     1       0.313  -0.933   1.103  1.00  0.00           H  
HETATM   55  H   UNL     1       2.749  -1.600  -1.632  1.00  0.00           H  
HETATM   56  H   UNL     1       3.445   1.161  -1.616  1.00  0.00           H  
HETATM   57  H   UNL     1       3.746  -1.556   0.637  1.00  0.00           H  
HETATM   58  H   UNL     1       4.210   0.147   0.401  1.00  0.00           H  
HETATM   59  H   UNL     1       5.273  -1.370  -1.731  1.00  0.00           H  
HETATM   60  H   UNL     1       7.946  -1.131  -1.482  1.00  0.00           H  
HETATM   61  H   UNL     1       7.483  -2.834  -1.245  1.00  0.00           H  
HETATM   62  H   UNL     1       8.466  -2.766   1.043  1.00  0.00           H  
HETATM   63  H   UNL     1      10.846  -2.626   0.323  1.00  0.00           H  
HETATM   64  H   UNL     1      10.682  -4.243  -1.553  1.00  0.00           H  
HETATM   65  H   UNL     1       9.492  -4.614  -0.282  1.00  0.00           H  
HETATM   66  H   UNL     1       8.972  -3.805  -1.780  1.00  0.00           H  
HETATM   67  H   UNL     1       9.688  -1.510  -2.274  1.00  0.00           H  
HETATM   68  H   UNL     1      11.408  -1.807  -1.911  1.00  0.00           H  
HETATM   69  H   UNL     1      10.722   0.610  -1.623  1.00  0.00           H  
HETATM   70  H   UNL     1      11.374  -0.124  -0.137  1.00  0.00           H  
HETATM   71  H   UNL     1       8.413   0.140  -0.828  1.00  0.00           H  
HETATM   72  H   UNL     1       9.574   2.298  -0.280  1.00  0.00           H  
HETATM   73  H   UNL     1      10.091   1.588   1.268  1.00  0.00           H  
HETATM   74  H   UNL     1       8.635   3.930   1.805  1.00  0.00           H  
HETATM   75  H   UNL     1       5.813   2.850   2.252  1.00  0.00           H  
HETATM   76  H   UNL     1       7.153   4.973   3.802  1.00  0.00           H  
HETATM   77  H   UNL     1       6.636   5.683   2.254  1.00  0.00           H  
HETATM   78  H   UNL     1       5.431   4.964   3.350  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.870   0.525  -0.121  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.471   1.249  -2.784  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.934  -0.453  -2.547  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.337   0.198  -0.610  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.874   1.901  -0.846  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.872   1.856  -3.116  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.335   0.154  -2.879  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.689   0.850  -0.882  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.366   2.311  -3.476  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.599   0.227  -4.022  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.860  -0.092  -3.818  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.000  -0.518  -2.520  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.168   1.233  -1.257  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.679   2.147  -2.701  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.495   3.575  -0.622  1.00  0.00           H  
HETATM   94  H   UNL     1      -7.439   4.117  -1.951  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.003   5.272  -0.260  1.00  0.00           H  
HETATM   96  H   UNL     1      -7.022   4.674   1.073  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.033   4.174   0.691  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.795   5.168   1.959  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.167   2.846   2.741  1.00  0.00           H  
HETATM  100  H   UNL     1      -5.905   3.202   2.900  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.609   1.704   0.577  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.662   0.451   2.752  1.00  0.00           H  
HETATM  103  H   UNL     1      -6.424   0.699   2.814  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.666  -0.486   0.649  1.00  0.00           H  
HETATM  105  H   UNL     1      -4.905  -0.734   0.587  1.00  0.00           H  
HETATM  106  H   UNL     1      -6.718  -1.739   2.826  1.00  0.00           H  
HETATM  107  H   UNL     1      -4.370  -1.297   3.490  1.00  0.00           H  
HETATM  108  H   UNL     1      -4.708  -3.044   3.462  1.00  0.00           H  
HETATM  109  H   UNL     1      -3.798  -2.292   2.130  1.00  0.00           H  
HETATM  110  H   UNL     1      -5.488  -3.445   0.542  1.00  0.00           H  
HETATM  111  H   UNL     1      -8.172  -2.015   2.469  1.00  0.00           H  
HETATM  112  H   UNL     1      -9.395  -2.831   1.467  1.00  0.00           H  
HETATM  113  H   UNL     1      -8.767  -3.627   2.930  1.00  0.00           H  
HETATM  114  H   UNL     1      -6.764  -5.247   0.065  1.00  0.00           H  
HETATM  115  H   UNL     1      -8.348  -3.874  -1.260  1.00  0.00           H  
HETATM  116  H   UNL     1      -8.922  -5.553  -1.117  1.00  0.00           H  
HETATM  117  H   UNL     1      -9.652  -4.275  -0.117  1.00  0.00           H  
HETATM  118  H   UNL     1      -9.002  -5.530   1.803  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   25                                       
CONECT    3    2    4    5   51                                       
CONECT    4    3   52   53   54                                       
CONECT    5    3    6    7   55                                       
CONECT    6    5   56                                                 
CONECT    7    5    8   57   58                                       
CONECT    8    7    9   59                                            
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   60   61                                       
CONECT   12   11   13   17   62                                       
CONECT   13   12   14   15   63                                       
CONECT   14   13   64   65   66                                       
CONECT   15   13   16   67   68                                       
CONECT   16   15   18   69   70                                       
CONECT   17   12   18                                                 
CONECT   18   16   17   19   71                                       
CONECT   19   18   20   72   73                                       
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   23   74                                       
CONECT   23   22   22   24   75                                       
CONECT   24   23   76   77   78                                       
CONECT   25    2   26   79                                            
CONECT   26   25   27   80   81                                       
CONECT   27   26   28   82   83                                       
CONECT   28   27   29   84   85                                       
CONECT   29   28   30   35   86                                       
CONECT   30   29   31   32   87                                       
CONECT   31   30   88   89   90                                       
CONECT   32   30   33   91   92                                       
CONECT   33   32   34   93   94                                       
CONECT   34   33   35   36   40                                       
CONECT   35   29   34                                                 
CONECT   36   34   37   95   96                                       
CONECT   37   36   38   97   98                                       
CONECT   38   37   39   99  100                                       
CONECT   39   38   40   41  101                                       
CONECT   40   34   39                                                 
CONECT   41   39   42  102  103                                       
CONECT   42   41   43  104  105                                       
CONECT   43   42   44   45  106                                       
CONECT   44   43  107  108  109                                       
CONECT   45   43   46   46  110                                       
CONECT   46   45   45   47   48                                       
CONECT   47   46  111  112  113                                       
CONECT   48   46   49   50  114                                       
CONECT   49   48  115  116  117                                       
CONECT   50   48  118                                                 
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60   11                                                      
CONECT   61   11                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   14                                                      
CONECT   65   14                                                      
CONECT   66   14                                                      
CONECT   67   15                                                      
CONECT   68   15                                                      
CONECT   69   16                                                      
CONECT   70   16                                                      
CONECT   71   18                                                      
CONECT   72   19                                                      
CONECT   73   19                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   24                                                      
CONECT   77   24                                                      
CONECT   78   24                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   26                                                      
CONECT   82   27                                                      
CONECT   83   27                                                      
CONECT   84   28                                                      
CONECT   85   28                                                      
CONECT   86   29                                                      
CONECT   87   30                                                      
CONECT   88   31                                                      
CONECT   89   31                                                      
CONECT   90   31                                                      
CONECT   91   32                                                      
CONECT   92   32                                                      
CONECT   93   33                                                      
CONECT   94   33                                                      
CONECT   95   36                                                      
CONECT   96   36                                                      
CONECT   97   37                                                      
CONECT   98   37                                                      
CONECT   99   38                                                      
CONECT  100   38                                                      
CONECT  101   39                                                      
CONECT  102   41                                                      
CONECT  103   41                                                      
CONECT  104   42                                                      
CONECT  105   42                                                      
CONECT  106   43                                                      
CONECT  107   44                                                      
CONECT  108   44                                                      
CONECT  109   44                                                      
CONECT  110   45                                                      
CONECT  111   47                                                      
CONECT  112   47                                                      
CONECT  113   47                                                      
CONECT  114   48                                                      
CONECT  115   49                                                      
CONECT  116   49                                                      
CONECT  117   49                                                      
CONECT  118   50                                                      
MASTER        0    0    0    0    0    0    0    0  118    0  118    0
END
