COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK A   0       7.131  -2.786  -0.718  1.00  0.00           N  
HETATM    2  C   UNK A   0       7.362  -3.700  -1.655  1.00  0.00           C  
HETATM    3  O   UNK A   0       6.484  -4.512  -1.890  1.00  0.00           O  
HETATM    4  N   UNK A   0       8.501  -3.783  -2.357  1.00  0.00           N  
HETATM    5  C   UNK A   0       9.518  -2.914  -2.148  1.00  0.00           C  
HETATM    6  O   UNK A   0      10.554  -2.984  -2.782  1.00  0.00           O  
HETATM    7  C   UNK A   0       9.316  -1.880  -1.121  1.00  0.00           C  
HETATM    8  C   UNK A   0      10.283  -0.939  -0.820  1.00  0.00           C  
HETATM    9  C   UNK A   0      10.011   0.020   0.180  1.00  0.00           C  
HETATM   10  C   UNK A   0      10.977   0.989   0.507  1.00  0.00           C  
HETATM   11  C   UNK A   0      10.713   1.913   1.472  1.00  0.00           C  
HETATM   12  C   UNK A   0       9.489   1.907   2.143  1.00  0.00           C  
HETATM   13  O   UNK A   0       9.243   2.835   3.102  1.00  0.00           O  
HETATM   14  C   UNK A   0       8.524   0.963   1.837  1.00  0.00           C  
HETATM   15  C   UNK A   0       8.772   0.011   0.856  1.00  0.00           C  
HETATM   16  N   UNK A   0       7.808  -0.929   0.554  1.00  0.00           N  
HETATM   17  C   UNK A   0       8.037  -1.868  -0.406  1.00  0.00           C  
HETATM   18  C   UNK A   0       6.531  -0.917   1.271  1.00  0.00           C  
HETATM   19  C   UNK A   0       5.535  -0.028   0.524  1.00  0.00           C  
HETATM   20  O   UNK A   0       6.049   1.303   0.445  1.00  0.00           O  
HETATM   21  C   UNK A   0       4.201  -0.016   1.272  1.00  0.00           C  
HETATM   22  O   UNK A   0       3.686  -1.347   1.351  1.00  0.00           O  
HETATM   23  C   UNK A   0       3.204   0.873   0.525  1.00  0.00           C  
HETATM   24  O   UNK A   0       3.719   2.204   0.447  1.00  0.00           O  
HETATM   25  C   UNK A   0       1.870   0.886   1.274  1.00  0.00           C  
HETATM   26  O   UNK A   0       0.906   1.620   0.517  1.00  0.00           O  
HETATM   27  P   UNK A   0      -0.612   1.837   1.006  1.00  0.00           P  
HETATM   28  O   UNK A   0      -1.234   0.522   1.283  1.00  0.00           O  
HETATM   29  O   UNK A   0      -0.622   2.728   2.346  1.00  0.00           O  
HETATM   30  O   UNK A   0      -1.445   2.592  -0.147  1.00  0.00           O  
HETATM   31  C   UNK A   0      -2.850   2.838  -0.058  1.00  0.00           C  
HETATM   32  C   UNK A   0      -3.109   4.345  -0.117  1.00  0.00           C  
HETATM   33  C   UNK A   0      -3.551   2.162  -1.209  1.00  0.00           C  
HETATM   34  O   UNK A   0      -2.911   1.533  -2.024  1.00  0.00           O  
HETATM   35  N   UNK A   1      -4.890   2.258  -1.332  1.00  0.00           N  
HETATM   36  C   UNK A   1      -5.572   1.602  -2.450  1.00  0.00           C  
HETATM   37  C   UNK A   1      -5.541   2.504  -3.656  1.00  0.00           C  
HETATM   38  O   UNK A   1      -6.110   2.108  -4.806  1.00  0.00           O  
HETATM   39  O   UNK A   1      -5.005   3.585  -3.589  1.00  0.00           O  
HETATM   40  C   UNK A   1      -7.024   1.315  -2.064  1.00  0.00           C  
HETATM   41  C   UNK A   1      -7.057   0.301  -0.919  1.00  0.00           C  
HETATM   42  C   UNK A   1      -8.487   0.018  -0.539  1.00  0.00           C  
HETATM   43  O   UNK A   1      -9.392   0.573  -1.126  1.00  0.00           O  
HETATM   44  N   UNK A   1      -8.762  -0.851   0.454  1.00  0.00           N  
HETATM   45  C   UNK A   1     -10.152  -1.126   0.823  1.00  0.00           C  
HETATM   46  C   UNK A   1     -10.628  -0.083   1.801  1.00  0.00           C  
HETATM   47  O   UNK A   1     -11.880  -0.134   2.281  1.00  0.00           O  
HETATM   48  O   UNK A   1      -9.882   0.799   2.154  1.00  0.00           O  
HETATM   49  C   UNK A   1     -10.244  -2.510   1.469  1.00  0.00           C  
HETATM   50  C   UNK A   1      -9.881  -3.580   0.437  1.00  0.00           C  
HETATM   51  C   UNK A   1      -9.972  -4.943   1.073  1.00  0.00           C  
HETATM   52  O   UNK A   1      -9.694  -6.040   0.352  1.00  0.00           O  
HETATM   53  O   UNK A   1     -10.294  -5.048   2.233  1.00  0.00           O  
HETATM   54  H   UNK A   0       8.599  -4.478  -3.027  1.00  0.00           H  
HETATM   55  H   UNK A   0      11.230  -0.938  -1.340  1.00  0.00           H  
HETATM   56  H   UNK A   0      11.927   1.001  -0.007  1.00  0.00           H  
HETATM   57  H   UNK A   0      11.457   2.656   1.720  1.00  0.00           H  
HETATM   58  H   UNK A   0       8.834   3.646   2.769  1.00  0.00           H  
HETATM   59  H   UNK A   0       7.579   0.966   2.361  1.00  0.00           H  
HETATM   60  H   UNK A   0       6.138  -1.932   1.331  1.00  0.00           H  
HETATM   61  H   UNK A   0       6.682  -0.526   2.277  1.00  0.00           H  
HETATM   62  H   UNK A   0       5.383  -0.419  -0.482  1.00  0.00           H  
HETATM   63  H   UNK A   0       6.209   1.714   1.306  1.00  0.00           H  
HETATM   64  H   UNK A   0       4.352   0.375   2.279  1.00  0.00           H  
HETATM   65  H   UNK A   0       3.526  -1.758   0.490  1.00  0.00           H  
HETATM   66  H   UNK A   0       3.053   0.482  -0.481  1.00  0.00           H  
HETATM   67  H   UNK A   0       3.879   2.615   1.307  1.00  0.00           H  
HETATM   68  H   UNK A   0       1.521  -0.138   1.411  1.00  0.00           H  
HETATM   69  H   UNK A   0       2.004   1.358   2.247  1.00  0.00           H  
HETATM   70  H   UNK A   0      -0.229   3.605   2.239  1.00  0.00           H  
HETATM   71  H   UNK A   0      -3.230   2.440   0.883  1.00  0.00           H  
HETATM   72  H   UNK A   0      -4.181   4.532  -0.049  1.00  0.00           H  
HETATM   73  H   UNK A   0      -2.602   4.833   0.715  1.00  0.00           H  
HETATM   74  H   UNK A   0      -2.729   4.742  -1.058  1.00  0.00           H  
HETATM   75  H   UNK A   1      -5.402   2.762  -0.679  1.00  0.00           H  
HETATM   76  H   UNK A   1      -5.066   0.665  -2.684  1.00  0.00           H  
HETATM   77  H   UNK A   1      -6.065   2.721  -5.552  1.00  0.00           H  
HETATM   78  H   UNK A   1      -7.505   2.239  -1.744  1.00  0.00           H  
HETATM   79  H   UNK A   1      -7.555   0.908  -2.925  1.00  0.00           H  
HETATM   80  H   UNK A   1      -6.576  -0.624  -1.238  1.00  0.00           H  
HETATM   81  H   UNK A   1      -6.526   0.707  -0.058  1.00  0.00           H  
HETATM   82  H   UNK A   1      -8.038  -1.295   0.924  1.00  0.00           H  
HETATM   83  H   UNK A   1     -10.777  -1.100  -0.069  1.00  0.00           H  
HETATM   84  H   UNK A   1     -12.140   0.557   2.906  1.00  0.00           H  
HETATM   85  H   UNK A   1      -9.552  -2.566   2.309  1.00  0.00           H  
HETATM   86  H   UNK A   1     -11.261  -2.679   1.824  1.00  0.00           H  
HETATM   87  H   UNK A   1     -10.573  -3.524  -0.403  1.00  0.00           H  
HETATM   88  H   UNK A   1      -8.864  -3.411   0.082  1.00  0.00           H  
HETATM   89  H   UNK A   1      -9.766  -6.892   0.803  1.00  0.00           H  
CONECT    1    2   17   17                                            
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   54                                            
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8    8   17                                       
CONECT    8    7    7    9   55                                       
CONECT    9    8   10   10   15                                       
CONECT   10    9    9   11   56                                       
CONECT   11   10   12   12   57                                       
CONECT   12   11   11   13   14                                       
CONECT   13   12   58                                                 
CONECT   14   12   15   15   59                                       
CONECT   15    9   14   14   16                                       
CONECT   16   15   17   18                                            
CONECT   17    1    1    7   16                                       
CONECT   18   16   19   60   61                                       
CONECT   19   18   20   21   62                                       
CONECT   20   19   63                                                 
CONECT   21   19   22   23   64                                       
CONECT   22   21   65                                                 
CONECT   23   21   24   25   66                                       
CONECT   24   23   67                                                 
CONECT   25   23   26   68   69                                       
CONECT   26   25   27                                                 
CONECT   27   26   28   28   29                                       
CONECT   27   30                                                      
CONECT   28   27   27                                                 
CONECT   29   27   70                                                 
CONECT   30   27   31                                                 
CONECT   31   30   32   33   71                                       
CONECT   32   31   72   73   74                                       
CONECT   33   31   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   36   75                                            
CONECT   36   35   37   40   76                                       
CONECT   37   36   38   39   39                                       
CONECT   38   37   77                                                 
CONECT   39   37   37                                                 
CONECT   40   36   41   78   79                                       
CONECT   41   40   42   80   81                                       
CONECT   42   41   43   43   44                                       
CONECT   43   42   42                                                 
CONECT   44   42   45   82                                            
CONECT   45   44   46   49   83                                       
CONECT   46   45   47   48   48                                       
CONECT   47   46   84                                                 
CONECT   48   46   46                                                 
CONECT   49   45   50   85   86                                       
CONECT   50   49   51   87   88                                       
CONECT   51   50   52   53   53                                       
CONECT   52   51   89                                                 
CONECT   53   51   51                                                 
CONECT   54    4                                                      
CONECT   55    8                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   29                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
CONECT   73   32                                                      
CONECT   74   32                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   38                                                      
CONECT   78   40                                                      
CONECT   79   40                                                      
CONECT   80   41                                                      
CONECT   81   41                                                      
CONECT   82   44                                                      
CONECT   83   45                                                      
CONECT   84   47                                                      
CONECT   85   49                                                      
CONECT   86   49                                                      
CONECT   87   50                                                      
CONECT   88   50                                                      
CONECT   89   52                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
