COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.390   0.199   0.285  1.00  0.00           C  
HETATM    2  O   UNL     1     -10.718   0.117   0.396  1.00  0.00           O  
HETATM    3  O   UNL     1     -15.885   3.901  -0.513  1.00  0.00           O  
HETATM    4  C   UNL     1      -9.726   0.817   0.331  1.00  0.00           C  
HETATM    5  O   UNL     1     -15.161   5.759   0.463  1.00  0.00           O  
HETATM    6  C   UNL     1     -11.112   2.741   0.222  1.00  0.00           C  
HETATM    7  N   UNL     1      -9.849   2.159   0.300  1.00  0.00           N  
HETATM    8  C   UNL     1      -8.260  -1.197   0.317  1.00  0.00           C  
HETATM    9  O   UNL     1      -9.364  -1.983   0.395  1.00  0.00           O  
HETATM   10  C   UNL     1      -7.247   1.002   0.205  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.001   0.424   0.157  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.868  -0.962   0.188  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.574  -0.871  -0.424  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.206  -1.428  -0.364  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.149  -0.725  -0.944  1.00  0.00           C  
HETATM   16  C   UNL     1       0.127  -1.255  -0.881  1.00  0.00           C  
HETATM   17  C   UNL     1       0.307  -2.477  -0.237  1.00  0.00           C  
HETATM   18  C   UNL     1       2.661  -2.262  -0.013  1.00  0.00           C  
HETATM   19  C   UNL     1       4.040  -2.870  -0.038  1.00  0.00           C  
HETATM   20  C   UNL     1       4.172  -3.885   1.099  1.00  0.00           C  
HETATM   21  C   UNL     1       5.505  -4.580   1.000  1.00  0.00           C  
HETATM   22  C   UNL     1       6.449  -4.665   1.967  1.00  0.00           C  
HETATM   23  C   UNL     1       6.292  -1.989  -0.343  1.00  0.00           C  
HETATM   24  C   UNL     1       7.303  -0.923  -0.173  1.00  0.00           C  
HETATM   25  C   UNL     1       8.593  -1.110  -0.671  1.00  0.00           C  
HETATM   26  C   UNL     1       9.530  -0.107  -0.506  1.00  0.00           C  
HETATM   27  C   UNL     1       9.146   1.058   0.156  1.00  0.00           C  
HETATM   28  C   UNL     1      10.988   2.354  -0.595  1.00  0.00           C  
HETATM   29  C   UNL     1      12.028   3.375  -0.345  1.00  0.00           C  
HETATM   30  C   UNL     1      12.050   4.066   0.868  1.00  0.00           C  
HETATM   31  C   UNL     1      13.019   5.017   1.102  1.00  0.00           C  
HETATM   32  C   UNL     1      13.979   5.289   0.126  1.00  0.00           C  
HETATM   33  C   UNL     1      14.987   6.277   0.369  1.00  0.00           C  
HETATM   34  C   UNL     1      13.958   4.598  -1.088  1.00  0.00           C  
HETATM   35  C   UNL     1      12.992   3.644  -1.319  1.00  0.00           C  
HETATM   36  C   UNL     1       7.839   1.173   0.627  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.797  -3.122   0.319  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.998  -1.772   0.268  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.866  -3.806  -0.958  1.00  0.00           C  
HETATM   40  C   UNL     1     -12.167   2.036  -0.349  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.433  -3.909  -1.484  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.445  -5.210  -0.777  1.00  0.00           C  
HETATM   43  C   UNL     1     -13.417   2.608  -0.428  1.00  0.00           C  
HETATM   44  C   UNL     1     -13.625   3.899   0.067  1.00  0.00           C  
HETATM   45  C   UNL     1     -14.962   4.515  -0.015  1.00  0.00           C  
HETATM   46  C   UNL     1     -12.563   4.604   0.641  1.00  0.00           C  
HETATM   47  C   UNL     1     -11.317   4.024   0.721  1.00  0.00           C  
HETATM   48  N   UNL     1      -4.600  -1.541   0.139  1.00  0.00           N  
HETATM   49  N   UNL     1      -1.995  -2.589   0.246  1.00  0.00           N  
HETATM   50  N   UNL     1       1.576  -3.049  -0.151  1.00  0.00           N  
HETATM   51  N   UNL     1       5.986  -5.241  -0.059  1.00  0.00           N  
HETATM   52  N   UNL     1       7.153  -5.700   0.231  1.00  0.00           N  
HETATM   53  N   UNL     1       7.469  -5.378   1.436  1.00  0.00           N  
HETATM   54  N   UNL     1       5.042  -1.814   0.131  1.00  0.00           N  
HETATM   55  N   UNL     1      10.058   2.095   0.345  1.00  0.00           N  
HETATM   56  N   UNL     1      15.787   7.061   0.562  1.00  0.00           N  
HETATM   57  N   UNL     1       6.972   0.203   0.448  1.00  0.00           N  
HETATM   58  O   UNL     1      -3.775   0.191  -0.980  1.00  0.00           O  
HETATM   59  O   UNL     1       2.529  -1.066   0.132  1.00  0.00           O  
HETATM   60  O   UNL     1       6.588  -3.023  -0.911  1.00  0.00           O  
HETATM   61  O   UNL     1      10.972   1.749  -1.649  1.00  0.00           O  
HETATM   62  O   UNL     1      -6.864  -3.126   0.299  1.00  0.00           O  
HETATM   63  H   UNL     1     -16.055   6.121   0.387  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.058   2.719   0.332  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.729  -2.235  -0.464  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.345   2.078   0.179  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.121   1.046   0.094  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.326   0.220  -1.435  1.00  0.00           H  
HETATM   69  H   UNL     1       0.964  -0.734  -1.321  1.00  0.00           H  
HETATM   70  H   UNL     1       4.199  -3.372  -0.993  1.00  0.00           H  
HETATM   71  H   UNL     1       4.102  -3.368   2.057  1.00  0.00           H  
HETATM   72  H   UNL     1       3.372  -4.620   1.024  1.00  0.00           H  
HETATM   73  H   UNL     1       6.397  -4.248   2.962  1.00  0.00           H  
HETATM   74  H   UNL     1       8.856  -2.026  -1.179  1.00  0.00           H  
HETATM   75  H   UNL     1      10.536  -0.224  -0.881  1.00  0.00           H  
HETATM   76  H   UNL     1      11.307   3.855   1.623  1.00  0.00           H  
HETATM   77  H   UNL     1      13.035   5.551   2.040  1.00  0.00           H  
HETATM   78  H   UNL     1      14.700   4.809  -1.843  1.00  0.00           H  
HETATM   79  H   UNL     1      12.977   3.106  -2.256  1.00  0.00           H  
HETATM   80  H   UNL     1       7.535   2.073   1.140  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.664  -4.070   0.820  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.475  -3.251  -1.671  1.00  0.00           H  
HETATM   83  H   UNL     1     -12.006   1.039  -0.732  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.823  -4.464  -0.771  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.434  -4.428  -2.443  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.020  -2.908  -1.613  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.835  -5.766  -0.064  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.466  -5.137  -0.403  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.446  -5.729  -1.736  1.00  0.00           H  
HETATM   90  H   UNL     1     -14.235   2.061  -0.872  1.00  0.00           H  
HETATM   91  H   UNL     1     -12.721   5.600   1.028  1.00  0.00           H  
HETATM   92  H   UNL     1     -10.497   4.568   1.164  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.455  -2.426   0.510  1.00  0.00           H  
HETATM   94  H   UNL     1       1.677  -4.013  -0.190  1.00  0.00           H  
HETATM   95  H   UNL     1       8.297  -5.607   1.887  1.00  0.00           H  
HETATM   96  H   UNL     1       4.806  -0.989   0.583  1.00  0.00           H  
HETATM   97  H   UNL     1      10.024   2.629   1.153  1.00  0.00           H  
CONECT    1    4    8    8   10                                       
CONECT    2    4    4                                                 
CONECT    3   45   45                                                 
CONECT    4    2    2    7    1                                       
CONECT    5   45   63                                                 
CONECT    6   47    7   40   40                                       
CONECT    7    4    6   64                                            
CONECT    8    9    1    1   38                                       
CONECT    9    8   65                                                 
CONECT   10    1   11   11   66                                       
CONECT   11   10   10   12   67                                       
CONECT   12   38   38   11   48                                       
CONECT   13   58   58   48   14                                       
CONECT   14   13   15   15   49                                       
CONECT   15   14   14   16   68                                       
CONECT   16   15   17   17   69                                       
CONECT   17   16   16   37   50                                       
CONECT   18   50   19   59   59                                       
CONECT   19   18   54   20   70                                       
CONECT   20   19   21   71   72                                       
CONECT   21   51   20   22   22                                       
CONECT   22   21   21   53   73                                       
CONECT   23   60   60   24   54                                       
CONECT   24   25   23   57   57                                       
CONECT   25   26   26   24   74                                       
CONECT   26   25   25   27   75                                       
CONECT   27   26   55   36   36                                       
CONECT   28   61   61   55   29                                       
CONECT   29   28   30   30   35                                       
CONECT   30   29   29   31   76                                       
CONECT   31   30   32   32   77                                       
CONECT   32   31   31   34   33                                       
CONECT   33   32   56   56   56                                       
CONECT   34   35   35   32   78                                       
CONECT   35   29   34   34   79                                       
CONECT   36   27   27   57   80                                       
CONECT   37   49   49   17   81                                       
CONECT   38    8   62   12   12                                       
CONECT   39   62   41   42   82                                       
CONECT   40    6    6   43   83                                       
CONECT   41   39   84   85   86                                       
CONECT   42   39   87   88   89                                       
CONECT   43   44   44   40   90                                       
CONECT   44   46   45   43   43                                       
CONECT   45    5    3    3   44                                       
CONECT   46   47   47   44   91                                       
CONECT   47   46   46    6   92                                       
CONECT   48   12   13   93                                            
CONECT   49   14   37   37                                            
CONECT   50   17   18   94                                            
CONECT   51   52   52   21                                            
CONECT   52   51   51   53                                            
CONECT   53   52   22   95                                            
CONECT   54   23   19   96                                            
CONECT   55   28   27   97                                            
CONECT   56   33   33   33                                            
CONECT   57   24   24   36                                            
CONECT   58   13   13                                                 
CONECT   59   18   18                                                 
CONECT   60   23   23                                                 
CONECT   61   28   28                                                 
CONECT   62   38   39                                                 
CONECT   63    5                                                      
CONECT   64    7                                                      
CONECT   65    9                                                      
CONECT   66   10                                                      
CONECT   67   11                                                      
CONECT   68   15                                                      
CONECT   69   16                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   20                                                      
CONECT   73   22                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   39                                                      
CONECT   83   40                                                      
CONECT   84   41                                                      
CONECT   85   41                                                      
CONECT   86   41                                                      
CONECT   87   42                                                      
CONECT   88   42                                                      
CONECT   89   42                                                      
CONECT   90   43                                                      
CONECT   91   46                                                      
CONECT   92   47                                                      
CONECT   93   48                                                      
CONECT   94   50                                                      
CONECT   95   53                                                      
CONECT   96   54                                                      
CONECT   97   55                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
