COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.056   3.217  -2.643  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.307   3.484  -1.804  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.438   3.970  -2.713  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.730   2.213  -1.113  1.00  0.00           C  
HETATM    5  O   UNL     1      -5.829   1.745  -1.323  1.00  0.00           O  
HETATM    6  C   UNL     1      -4.250   0.302   0.321  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.120  -0.195   1.186  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.511   0.465   1.173  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.885   1.595  -0.263  1.00  0.00           N  
HETATM   10  O   UNL     1      -3.358  -0.873   2.163  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.517  -0.706  -0.798  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.257  -0.868  -1.650  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.285   1.563   2.214  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.846   0.115   0.873  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.743  -0.451   1.654  1.00  0.00           C  
HETATM   16  C   UNL     1       0.384   0.547   1.727  1.00  0.00           C  
HETATM   17  O   UNL     1       0.340   1.561   1.062  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.246  -1.732   0.981  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.352  -2.789   1.018  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.855  -4.070   0.346  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.914  -5.083   0.382  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.698  -6.318  -0.164  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.525  -6.601  -0.729  1.00  0.00           N  
HETATM   24  N   UNL     1      -2.660  -7.238  -0.132  1.00  0.00           N1+
HETATM   25  N   UNL     1       1.441   0.313   2.530  1.00  0.00           N  
HETATM   26  O   UNL     1       3.477   2.759   1.091  1.00  0.00           O  
HETATM   27  C   UNL     1       2.482   1.332   2.685  1.00  0.00           C  
HETATM   28  C   UNL     1       3.114   1.632   1.350  1.00  0.00           C  
HETATM   29  C   UNL     1       1.878   2.618   3.285  1.00  0.00           C  
HETATM   30  C   UNL     1       3.552   0.844   3.677  1.00  0.00           C  
HETATM   31  C   UNL     1       2.151   2.494   4.805  1.00  0.00           C  
HETATM   32  C   UNL     1       3.562   1.850   4.846  1.00  0.00           C  
HETATM   33  N   UNL     1       3.276   0.646   0.445  1.00  0.00           N  
HETATM   34  C   UNL     1       3.974   0.916  -0.814  1.00  0.00           C  
HETATM   35  C   UNL     1       4.626  -0.350  -1.308  1.00  0.00           C  
HETATM   36  C   UNL     1       2.987   1.407  -1.841  1.00  0.00           C  
HETATM   37  C   UNL     1       3.337   2.431  -2.702  1.00  0.00           C  
HETATM   38  C   UNL     1       2.431   2.882  -3.644  1.00  0.00           C  
HETATM   39  C   UNL     1       1.176   2.309  -3.725  1.00  0.00           C  
HETATM   40  C   UNL     1       0.826   1.285  -2.865  1.00  0.00           C  
HETATM   41  C   UNL     1       1.734   0.830  -1.927  1.00  0.00           C  
HETATM   42  C   UNL     1       3.918  -1.537  -1.308  1.00  0.00           C  
HETATM   43  C   UNL     1       4.514  -2.697  -1.766  1.00  0.00           C  
HETATM   44  C   UNL     1       5.817  -2.670  -2.225  1.00  0.00           C  
HETATM   45  C   UNL     1       6.525  -1.483  -2.226  1.00  0.00           C  
HETATM   46  C   UNL     1       5.930  -0.323  -1.767  1.00  0.00           C  
HETATM   47  H   UNL     1      -2.251   2.871  -1.995  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.276   2.454  -3.390  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.751   4.137  -3.143  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.088   4.247  -1.058  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.657   3.207  -3.460  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.329   4.160  -2.115  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.133   4.889  -3.213  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.349   0.739   0.532  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.731  -0.475   1.678  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.036   2.007  -0.038  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.789  -1.668  -0.363  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.334  -0.347  -1.424  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.447  -1.587  -2.447  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.985   0.094  -2.085  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.440  -1.228  -1.024  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.064   2.503   1.709  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.183   1.679   2.821  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.446   1.289   2.855  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.660   0.711   0.132  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.090  -0.680   2.661  1.00  0.00           H  
HETATM   67  H   UNL     1       0.018  -1.520  -0.055  1.00  0.00           H  
HETATM   68  H   UNL     1       0.631  -2.104   1.511  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.616  -3.002   2.054  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.229  -2.417   0.489  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.591  -3.858  -0.690  1.00  0.00           H  
HETATM   72  H   UNL     1       0.022  -4.443   0.876  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.768  -4.877   0.793  1.00  0.00           H  
HETATM   74  H   UNL     1       0.176  -5.931  -0.752  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.371  -7.477  -1.116  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.514  -7.032   0.279  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.507  -8.114  -0.519  1.00  0.00           H  
HETATM   78  H   UNL     1       1.511  -0.529   3.005  1.00  0.00           H  
HETATM   79  H   UNL     1       2.375   3.499   2.878  1.00  0.00           H  
HETATM   80  H   UNL     1       0.806   2.662   3.093  1.00  0.00           H  
HETATM   81  H   UNL     1       3.297  -0.151   4.043  1.00  0.00           H  
HETATM   82  H   UNL     1       4.529   0.825   3.194  1.00  0.00           H  
HETATM   83  H   UNL     1       2.161   3.477   5.277  1.00  0.00           H  
HETATM   84  H   UNL     1       1.416   1.844   5.278  1.00  0.00           H  
HETATM   85  H   UNL     1       3.718   1.334   5.793  1.00  0.00           H  
HETATM   86  H   UNL     1       4.331   2.607   4.692  1.00  0.00           H  
HETATM   87  H   UNL     1       2.929  -0.241   0.627  1.00  0.00           H  
HETATM   88  H   UNL     1       4.737   1.677  -0.650  1.00  0.00           H  
HETATM   89  H   UNL     1       4.318   2.878  -2.638  1.00  0.00           H  
HETATM   90  H   UNL     1       2.704   3.681  -4.316  1.00  0.00           H  
HETATM   91  H   UNL     1       0.468   2.661  -4.461  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.155   0.837  -2.928  1.00  0.00           H  
HETATM   93  H   UNL     1       1.461   0.030  -1.254  1.00  0.00           H  
HETATM   94  H   UNL     1       2.899  -1.558  -0.949  1.00  0.00           H  
HETATM   95  H   UNL     1       3.961  -3.625  -1.765  1.00  0.00           H  
HETATM   96  H   UNL     1       6.283  -3.577  -2.582  1.00  0.00           H  
HETATM   97  H   UNL     1       7.544  -1.461  -2.584  1.00  0.00           H  
HETATM   98  H   UNL     1       6.481   0.606  -1.771  1.00  0.00           H  
CONECT    1    2   47   48   49                                       
CONECT    2    1    3    4   50                                       
CONECT    3    2   51   52   53                                       
CONECT    4    2    5    5    9                                       
CONECT    5    4    4                                                 
CONECT    6    8   11    9    7                                       
CONECT    7    6   10   10   14                                       
CONECT    8   13    6   54   55                                       
CONECT    9    6   56    4                                            
CONECT   10    7    7                                                 
CONECT   11   12    6   57   58                                       
CONECT   12   11   59   60   61                                       
CONECT   13    8   62   63   64                                       
CONECT   14   15   65    7                                            
CONECT   15   14   16   18   66                                       
CONECT   16   15   17   17   25                                       
CONECT   17   16   16                                                 
CONECT   18   15   19   67   68                                       
CONECT   19   18   20   69   70                                       
CONECT   20   19   21   71   72                                       
CONECT   21   20   22   73                                            
CONECT   22   21   23   24   24                                       
CONECT   23   22   74   75                                            
CONECT   24   22   22   76   77                                       
CONECT   25   27   78   16                                            
CONECT   26   28   28                                                 
CONECT   27   25   28   29   30                                       
CONECT   28   26   26   27   33                                       
CONECT   29   27   31   79   80                                       
CONECT   30   27   32   81   82                                       
CONECT   31   29   32   83   84                                       
CONECT   32   30   31   85   86                                       
CONECT   33   34   87   28                                            
CONECT   34   35   36   33   88                                       
CONECT   35   42   42   46   34                                       
CONECT   36   37   37   41   34                                       
CONECT   37   38   36   36   89                                       
CONECT   38   39   39   37   90                                       
CONECT   39   38   38   40   91                                       
CONECT   40   39   41   41   92                                       
CONECT   41   40   40   36   93                                       
CONECT   42   43   35   35   94                                       
CONECT   43   44   44   42   95                                       
CONECT   44   43   43   45   96                                       
CONECT   45   44   46   46   97                                       
CONECT   46   45   45   35   98                                       
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57   11                                                      
CONECT   58   11                                                      
CONECT   59   12                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   13                                                      
CONECT   64   13                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   23                                                      
CONECT   75   23                                                      
CONECT   76   24                                                      
CONECT   77   24                                                      
CONECT   78   25                                                      
CONECT   79   29                                                      
CONECT   80   29                                                      
CONECT   81   30                                                      
CONECT   82   30                                                      
CONECT   83   31                                                      
CONECT   84   31                                                      
CONECT   85   32                                                      
CONECT   86   32                                                      
CONECT   87   33                                                      
CONECT   88   34                                                      
CONECT   89   37                                                      
CONECT   90   38                                                      
CONECT   91   39                                                      
CONECT   92   40                                                      
CONECT   93   41                                                      
CONECT   94   42                                                      
CONECT   95   43                                                      
CONECT   96   44                                                      
CONECT   97   45                                                      
CONECT   98   46                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
