COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       2.690  -0.026  -0.983  1.00  0.00           P  
HETATM    2  O   UNL     1       1.905   0.881  -2.057  1.00  0.00           O  
HETATM    3  O   UNL     1       3.278  -1.201  -1.665  1.00  0.00           O  
HETATM    4  O   UNL     1       3.863   0.843  -0.303  1.00  0.00           O  
HETATM    5  C   UNL     1       4.799   1.153  -1.337  1.00  0.00           C  
HETATM    6  C   UNL     1       5.946   1.982  -0.755  1.00  0.00           C  
HETATM    7  O   UNL     1       6.707   1.184   0.167  1.00  0.00           O  
HETATM    8  C   UNL     1       6.900   2.421  -1.882  1.00  0.00           C  
HETATM    9  O   UNL     1       6.973   3.846  -1.958  1.00  0.00           O  
HETATM   10  C   UNL     1       8.272   1.829  -1.465  1.00  0.00           C  
HETATM   11  O   UNL     1       9.326   2.760  -1.719  1.00  0.00           O  
HETATM   12  C   UNL     1       8.082   1.609   0.057  1.00  0.00           C  
HETATM   13  N   UNL     1       8.986   0.566   0.548  1.00  0.00           N  
HETATM   14  C   UNL     1       8.713  -0.768   0.623  1.00  0.00           C  
HETATM   15  N   UNL     1       9.740  -1.405   1.106  1.00  0.00           N  
HETATM   16  C   UNL     1      10.734  -0.524   1.370  1.00  0.00           C  
HETATM   17  C   UNL     1      12.036  -0.629   1.887  1.00  0.00           C  
HETATM   18  N   UNL     1      12.555  -1.859   2.254  1.00  0.00           N  
HETATM   19  N   UNL     1      12.758   0.479   2.016  1.00  0.00           N  
HETATM   20  C   UNL     1      12.271   1.656   1.669  1.00  0.00           C  
HETATM   21  N   UNL     1      11.058   1.803   1.180  1.00  0.00           N  
HETATM   22  C   UNL     1      10.264   0.751   1.010  1.00  0.00           C  
HETATM   23  O   UNL     1       1.663  -0.523   0.153  1.00  0.00           O  
HETATM   24  P   UNL     1       0.859  -1.775  -0.462  1.00  0.00           P  
HETATM   25  O   UNL     1       1.769  -3.100  -0.358  1.00  0.00           O  
HETATM   26  O   UNL     1       0.540  -1.507  -1.882  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.506  -1.995   0.363  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.226  -3.036  -0.299  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.541  -3.296   0.438  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.414  -2.151   0.326  1.00  0.00           O  
HETATM   31  C   UNL     1      -3.317  -4.452  -0.231  1.00  0.00           C  
HETATM   32  O   UNL     1      -3.096  -5.676   0.472  1.00  0.00           O  
HETATM   33  C   UNL     1      -4.799  -4.022  -0.123  1.00  0.00           C  
HETATM   34  O   UNL     1      -5.539  -4.970   0.648  1.00  0.00           O  
HETATM   35  C   UNL     1      -4.740  -2.657   0.597  1.00  0.00           C  
HETATM   36  N   UNL     1      -5.753  -1.749   0.052  1.00  0.00           N1+
HETATM   37  C   UNL     1      -6.869  -1.559   0.723  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.853  -0.697   0.236  1.00  0.00           C  
HETATM   39  C   UNL     1      -9.106  -0.484   0.991  1.00  0.00           C  
HETATM   40  O   UNL     1      -9.956   0.270   0.557  1.00  0.00           O  
HETATM   41  N   UNL     1      -9.306  -1.124   2.159  1.00  0.00           N  
HETATM   42  C   UNL     1      -7.637  -0.047  -0.985  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.447  -0.281  -1.651  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.520  -1.146  -1.099  1.00  0.00           C  
HETATM   45  O   UNL     1      -8.517   0.963  -2.973  1.00  0.00           O  
HETATM   46  C   UNL     1      -8.671   0.890  -1.555  1.00  0.00           C  
HETATM   47  C   UNL     1      -8.490   2.262  -0.958  1.00  0.00           C  
HETATM   48  O   UNL     1      -7.994   3.145  -1.615  1.00  0.00           O  
HETATM   49  C   UNL     1      -8.929   2.531   0.458  1.00  0.00           C  
HETATM   50  CA  UNL     1      -8.635   3.990   0.814  1.00  0.00           C  
HETATM   51  N   UNL     1      -7.183   4.212   0.808  1.00  0.00           N  
HETATM   52  C   UNL     1      -9.183   4.293   2.185  1.00  0.00           C  
HETATM   53  O   UNL     1     -10.491   4.553   2.341  1.00  0.00           O  
HETATM   54  OXT UNL     1      -8.447   4.302   3.142  1.00  0.00           O  
HETATM   55  H   UNL     1       1.538   1.633  -1.573  1.00  0.00           H  
HETATM   56  H   UNL     1       5.196   0.229  -1.757  1.00  0.00           H  
HETATM   57  H   UNL     1       4.300   1.723  -2.120  1.00  0.00           H  
HETATM   58  H   UNL     1       5.547   2.859  -0.244  1.00  0.00           H  
HETATM   59  H   UNL     1       6.579   2.005  -2.837  1.00  0.00           H  
HETATM   60  H   UNL     1       7.628   4.057  -2.637  1.00  0.00           H  
HETATM   61  H   UNL     1       8.460   0.883  -1.974  1.00  0.00           H  
HETATM   62  H   UNL     1       9.393   2.852  -2.679  1.00  0.00           H  
HETATM   63  H   UNL     1       8.241   2.540   0.602  1.00  0.00           H  
HETATM   64  H   UNL     1       7.782  -1.227   0.326  1.00  0.00           H  
HETATM   65  H   UNL     1      12.019  -2.661   2.155  1.00  0.00           H  
HETATM   66  H   UNL     1      13.456  -1.919   2.609  1.00  0.00           H  
HETATM   67  H   UNL     1      12.892   2.532   1.790  1.00  0.00           H  
HETATM   68  H   UNL     1       1.954  -3.238   0.581  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.626  -3.946  -0.304  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.438  -2.736  -1.325  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.348  -3.525   1.486  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.023  -4.554  -1.276  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.603  -6.358   0.010  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.238  -3.912  -1.114  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.488  -5.814   0.179  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.885  -2.786   1.669  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.023  -2.072   1.661  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.628  -1.725   2.506  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.129  -0.984   2.654  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.244   0.207  -2.594  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.591  -1.331  -1.617  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.624   1.295  -3.141  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.668   0.518  -1.316  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.386   1.875   1.138  1.00  0.00           H  
HETATM   85  H   UNL     1      -9.999   2.344   0.549  1.00  0.00           H  
HETATM   86  HA  UNL     1      -9.106   4.645   0.081  1.00  0.00           H  
HETATM   87  H1  UNL     1      -6.791   3.589   1.498  1.00  0.00           H  
HETATM   88  H2  UNL     1      -6.845   3.900  -0.090  1.00  0.00           H  
HETATM   89  H   UNL     1     -10.843   4.748   3.221  1.00  0.00           H  
CONECT    1    2    3    3    4                                       
CONECT    1   23                                                      
CONECT    2    1   55                                                 
CONECT    3    1    1                                                 
CONECT    4    1    5                                                 
CONECT    5    4    6   56   57                                       
CONECT    6    5    7    8   58                                       
CONECT    7    6   12                                                 
CONECT    8    6    9   10   59                                       
CONECT    9    8   60                                                 
CONECT   10    8   11   12   61                                       
CONECT   11   10   62                                                 
CONECT   12    7   10   13   63                                       
CONECT   13   12   14   22                                            
CONECT   14   13   15   15   64                                       
CONECT   15   14   14   16                                            
CONECT   16   15   17   17   22                                       
CONECT   17   16   16   18   19                                       
CONECT   18   17   65   66                                            
CONECT   19   17   20   20                                            
CONECT   20   19   19   21   67                                       
CONECT   21   20   22   22                                            
CONECT   22   13   16   21   21                                       
CONECT   23    1   24                                                 
CONECT   24   23   25   26   26                                       
CONECT   24   27                                                      
CONECT   25   24   68                                                 
CONECT   26   24   24                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29   69   70                                       
CONECT   29   28   30   31   71                                       
CONECT   30   29   35                                                 
CONECT   31   29   32   33   72                                       
CONECT   32   31   73                                                 
CONECT   33   31   34   35   74                                       
CONECT   34   33   75                                                 
CONECT   35   30   33   36   76                                       
CONECT   36   35   37   37   44                                       
CONECT   37   36   36   38   77                                       
CONECT   38   37   39   42   42                                       
CONECT   39   38   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   39   78   79                                            
CONECT   42   38   38   43   46                                       
CONECT   43   42   44   44   80                                       
CONECT   44   36   43   43   81                                       
CONECT   45   46   82                                                 
CONECT   46   42   45   47   83                                       
CONECT   47   46   48   48   49                                       
CONECT   48   47   47                                                 
CONECT   49   47   50   84   85                                       
CONECT   50   49   51   52   86                                       
CONECT   51   50   87   88                                            
CONECT   52   50   53   54   54                                       
CONECT   53   52   89                                                 
CONECT   54   52   52                                                 
CONECT   55    2                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   14                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   20                                                      
CONECT   68   25                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   37                                                      
CONECT   78   41                                                      
CONECT   79   41                                                      
CONECT   80   43                                                      
CONECT   81   44                                                      
CONECT   82   45                                                      
CONECT   83   46                                                      
CONECT   84   49                                                      
CONECT   85   49                                                      
CONECT   86   50                                                      
CONECT   87   51                                                      
CONECT   88   51                                                      
CONECT   89   53                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
