COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNK A   1      -8.645   0.116  -0.160  1.00  0.00           C  
HETATM    2  N   UNK A   1     -11.049  -0.219  -0.179  1.00  0.00           N  
HETATM    3  C   UNK A   1     -12.329   0.037   0.155  1.00  0.00           C  
HETATM    4  C   UNK A   1     -17.192  -0.458   0.262  1.00  0.00           C  
HETATM    5  C   UNK A   1       7.764   5.688   1.839  1.00  0.00           C  
HETATM    6  C   UNK A   1       8.089   5.170   0.437  1.00  0.00           C  
HETATM    7  C   UNK A   1       1.006   1.318  -0.198  1.00  0.00           C  
HETATM    8  N   UNK A   1      -0.281   1.796   0.313  1.00  0.00           N  
HETATM    9  C   UNK A   1      -1.423   1.182  -0.056  1.00  0.00           C  
HETATM   10  C   UNK A   1      -2.747   1.673   0.470  1.00  0.00           C  
HETATM   11  N   UNK A   1      -3.826   0.846  -0.076  1.00  0.00           N  
HETATM   12  C   UNK A   1      -5.106   1.103   0.259  1.00  0.00           C  
HETATM   13  O   UNK A   1      -5.365   2.018   1.012  1.00  0.00           O  
HETATM   14  C   UNK A   1      -6.216   0.252  -0.302  1.00  0.00           C  
HETATM   15  N   UNK A   1      -7.504   0.730   0.210  1.00  0.00           N  
HETATM   16  C   UNK A   1      -9.969   0.608   0.366  1.00  0.00           C  
HETATM   17  C   UNK A   1     -13.439  -0.813  -0.405  1.00  0.00           C  
HETATM   18  N   UNK A   1     -14.726  -0.336   0.106  1.00  0.00           N  
HETATM   19  C   UNK A   1     -15.868  -0.949  -0.264  1.00  0.00           C  
HETATM   20  N   UNK A   1     -18.274  -1.287  -0.285  1.00  0.00           N  
HETATM   21  O   UNK A   1     -15.830  -1.897  -1.020  1.00  0.00           O  
HETATM   22  O   UNK A   1     -12.587   0.952   0.908  1.00  0.00           O  
HETATM   23  O   UNK A   1      -8.608  -0.828  -0.920  1.00  0.00           O  
HETATM   24  O   UNK A   1      -1.385   0.234  -0.812  1.00  0.00           O  
HETATM   25  C   UNK A   1       2.133   2.181   0.372  1.00  0.00           C  
HETATM   26  O   UNK A   1       9.118   7.290  -0.301  1.00  0.00           O  
HETATM   27  O   UNK A   1       7.464   6.405  -1.470  1.00  0.00           O  
HETATM   28  C   UNK A   1       8.200   6.334  -0.515  1.00  0.00           C  
HETATM   29  N   UNK A   1       7.022   4.273  -0.012  1.00  0.00           N  
HETATM   30  O   UNK A   1       7.953   2.542   1.018  1.00  0.00           O  
HETATM   31  C   UNK A   1       7.047   2.970   0.335  1.00  0.00           C  
HETATM   32  O   UNK A   0       7.533   0.233  -1.337  1.00  0.00           O  
HETATM   33  N   UNK A   0      10.743  -3.812  -1.220  1.00  0.00           N  
HETATM   34  O   UNK A   0       9.232  -5.373  -1.669  1.00  0.00           O  
HETATM   35  C   UNK A   0       9.513  -4.347  -1.087  1.00  0.00           C  
HETATM   36  O   UNK A   0       7.966  -5.782   1.378  1.00  0.00           O  
HETATM   37  C   UNK A   0       4.721  -5.527   1.366  1.00  0.00           C  
HETATM   38  N   UNK A   0       6.028  -7.591   1.198  1.00  0.00           N  
HETATM   39  C   UNK A   0       5.800  -6.277   0.582  1.00  0.00           C  
HETATM   40  C   UNK A   0       7.081  -5.483   0.604  1.00  0.00           C  
HETATM   41  N   UNK A   0       7.242  -4.442  -0.236  1.00  0.00           N  
HETATM   42  C   UNK A   0       8.488  -3.670  -0.215  1.00  0.00           C  
HETATM   43  C   UNK A   0       8.222  -2.259  -0.742  1.00  0.00           C  
HETATM   44  C   UNK A   0       7.276  -1.528   0.213  1.00  0.00           C  
HETATM   45  C   UNK A   0       7.014  -0.137  -0.305  1.00  0.00           C  
HETATM   46  N   UNK A   1       6.203   0.695   0.377  1.00  0.00           N  
HETATM   47  C   UNK A   1       5.949   2.047  -0.127  1.00  0.00           C  
HETATM   48  C   UNK A   1       4.605   2.546   0.407  1.00  0.00           C  
HETATM   49  C   UNK A   1       3.477   1.682  -0.162  1.00  0.00           C  
HETATM   50  H   UNK A   1     -10.842  -0.951  -0.781  1.00  0.00           H  
HETATM   51  H   UNK A   1     -17.198  -0.524   1.350  1.00  0.00           H  
HETATM   52  H   UNK A   1     -17.340   0.579  -0.040  1.00  0.00           H  
HETATM   53  H   UNK A   1       8.558   6.356   2.173  1.00  0.00           H  
HETATM   54  H   UNK A   1       6.819   6.231   1.816  1.00  0.00           H  
HETATM   55  H   UNK A   1       7.684   4.847   2.528  1.00  0.00           H  
HETATM   56  H   UNK A   1       9.035   4.628   0.460  1.00  0.00           H  
HETATM   57  H   UNK A   1       1.155   0.281   0.104  1.00  0.00           H  
HETATM   58  H   UNK A   1       1.012   1.384  -1.286  1.00  0.00           H  
HETATM   59  H   UNK A   1      -0.312   2.553   0.918  1.00  0.00           H  
HETATM   60  H   UNK A   1      -2.753   1.607   1.558  1.00  0.00           H  
HETATM   61  H   UNK A   1      -2.895   2.710   0.168  1.00  0.00           H  
HETATM   62  H   UNK A   1      -3.619   0.115  -0.678  1.00  0.00           H  
HETATM   63  H   UNK A   1      -6.211   0.318  -1.390  1.00  0.00           H  
HETATM   64  H   UNK A   1      -6.068  -0.785   0.000  1.00  0.00           H  
HETATM   65  H   UNK A   1      -7.534   1.488   0.814  1.00  0.00           H  
HETATM   66  H   UNK A   1      -9.975   0.541   1.454  1.00  0.00           H  
HETATM   67  H   UNK A   1     -10.118   1.644   0.064  1.00  0.00           H  
HETATM   68  H   UNK A   1     -13.433  -0.747  -1.493  1.00  0.00           H  
HETATM   69  H   UNK A   1     -13.290  -1.850  -0.104  1.00  0.00           H  
HETATM   70  H   UNK A   1     -14.757   0.422   0.711  1.00  0.00           H  
HETATM   71  H   UNK A   1     -19.173  -0.978   0.054  1.00  0.00           H  
HETATM   72  H   UNK A   1     -18.250  -1.294  -1.293  1.00  0.00           H  
HETATM   73  H   UNK A   1       1.985   3.218   0.070  1.00  0.00           H  
HETATM   74  H   UNK A   1       2.127   2.115   1.460  1.00  0.00           H  
HETATM   75  H   UNK A   1       9.151   8.016  -0.939  1.00  0.00           H  
HETATM   76  H   UNK A   1       6.298   4.616  -0.558  1.00  0.00           H  
HETATM   77  H   UNK A   0      10.968  -2.992  -0.755  1.00  0.00           H  
HETATM   78  H   UNK A   0      11.403  -4.248  -1.782  1.00  0.00           H  
HETATM   79  H   UNK A   0       5.048  -5.393   2.397  1.00  0.00           H  
HETATM   80  H   UNK A   0       4.552  -4.552   0.909  1.00  0.00           H  
HETATM   81  H   UNK A   0       3.795  -6.101   1.350  1.00  0.00           H  
HETATM   82  H   UNK A   0       6.689  -8.132   0.661  1.00  0.00           H  
HETATM   83  H   UNK A   0       6.332  -7.494   2.155  1.00  0.00           H  
HETATM   84  H   UNK A   0       5.473  -6.411  -0.449  1.00  0.00           H  
HETATM   85  H   UNK A   0       6.535  -4.203  -0.855  1.00  0.00           H  
HETATM   86  H   UNK A   0       8.862  -3.612   0.807  1.00  0.00           H  
HETATM   87  H   UNK A   0       9.163  -1.713  -0.809  1.00  0.00           H  
HETATM   88  H   UNK A   0       7.765  -2.319  -1.729  1.00  0.00           H  
HETATM   89  H   UNK A   0       6.335  -2.073   0.281  1.00  0.00           H  
HETATM   90  H   UNK A   0       7.733  -1.467   1.201  1.00  0.00           H  
HETATM   91  H   UNK A   1       5.789   0.400   1.203  1.00  0.00           H  
HETATM   92  H   UNK A   1       5.923   2.029  -1.217  1.00  0.00           H  
HETATM   93  H   UNK A   1       4.599   2.480   1.495  1.00  0.00           H  
HETATM   94  H   UNK A   1       4.456   3.583   0.105  1.00  0.00           H  
HETATM   95  H   UNK A   1       3.626   0.646   0.139  1.00  0.00           H  
HETATM   96  H   UNK A   1       3.483   1.749  -1.250  1.00  0.00           H  
CONECT    1   23   23   15   16                                       
CONECT    2    3   16   50                                            
CONECT    3   22   22   17    2                                       
CONECT    4   19   20   51   52                                       
CONECT    5    6   53   54   55                                       
CONECT    6   29   28    5   56                                       
CONECT    7   25    8   57   58                                       
CONECT    8    7    9   59                                            
CONECT    9    8   24   24   10                                       
CONECT   10    9   11   60   61                                       
CONECT   11   10   12   62                                            
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   63   64                                       
CONECT   15   14    1   65                                            
CONECT   16    1    2   66   67                                       
CONECT   17    3   18   68   69                                       
CONECT   18   17   19   70                                            
CONECT   19   21   21   18    4                                       
CONECT   20    4   71   72                                            
CONECT   21   19   19                                                 
CONECT   22    3    3                                                 
CONECT   23    1    1                                                 
CONECT   24    9    9                                                 
CONECT   25   49    7   73   74                                       
CONECT   26   28   75                                                 
CONECT   27   28   28                                                 
CONECT   28   27   27    6   26                                       
CONECT   29   31    6   76                                            
CONECT   30   31   31                                                 
CONECT   31   30   30   47   29                                       
CONECT   32   45   45                                                 
CONECT   33   35   77   78                                            
CONECT   34   35   35                                                 
CONECT   35   33   42   34   34                                       
CONECT   36   40   40                                                 
CONECT   37   39   79   80   81                                       
CONECT   38   39   82   83                                            
CONECT   39   40   38   37   84                                       
CONECT   40   36   36   39   41                                       
CONECT   41   40   42   85                                            
CONECT   42   35   41   43   86                                       
CONECT   43   42   44   87   88                                       
CONECT   44   43   45   89   90                                       
CONECT   45   44   46   32   32                                       
CONECT   46   45   47   91                                            
CONECT   47   46   48   31   92                                       
CONECT   48   49   47   93   94                                       
CONECT   49   48   25   95   96                                       
CONECT   50    2                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60   10                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   14                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   17                                                      
CONECT   70   18                                                      
CONECT   71   20                                                      
CONECT   72   20                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   29                                                      
CONECT   77   33                                                      
CONECT   78   33                                                      
CONECT   79   37                                                      
CONECT   80   37                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
CONECT   83   38                                                      
CONECT   84   39                                                      
CONECT   85   41                                                      
CONECT   86   42                                                      
CONECT   87   43                                                      
CONECT   88   43                                                      
CONECT   89   44                                                      
CONECT   90   44                                                      
CONECT   91   46                                                      
CONECT   92   47                                                      
CONECT   93   48                                                      
CONECT   94   48                                                      
CONECT   95   49                                                      
CONECT   96   49                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
