COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.648  -0.124  -1.584  1.00  0.00           O  
HETATM    2  C   UNL     1       4.433  -0.688  -0.847  1.00  0.00           C  
HETATM    3  N   UNL     1       5.107  -1.765  -1.295  1.00  0.00           N  
HETATM    4  C   UNL     1       5.981  -2.402  -0.490  1.00  0.00           C  
HETATM    5  O   UNL     1       6.591  -3.376  -0.894  1.00  0.00           O  
HETATM    6  C   UNL     1       6.185  -1.928   0.828  1.00  0.00           C  
HETATM    7  C   UNL     1       7.157  -2.621   1.747  1.00  0.00           C  
HETATM    8  C   UNL     1       5.497  -0.846   1.251  1.00  0.00           C  
HETATM    9  N   UNL     1       4.622  -0.225   0.402  1.00  0.00           N  
HETATM   10  C   UNL     1       3.875   0.949   0.860  1.00  0.00           C  
HETATM   11  O   UNL     1       2.469   0.754   0.633  1.00  0.00           O  
HETATM   12  C   UNL     1       4.302   2.190   0.052  1.00  0.00           C  
HETATM   13  C   UNL     1       2.989   2.689  -0.598  1.00  0.00           C  
HETATM   14  O   UNL     1       2.908   4.115  -0.555  1.00  0.00           O  
HETATM   15  C   UNL     1       1.911   2.046   0.311  1.00  0.00           C  
HETATM   16  C   UNL     1       0.591   1.888  -0.447  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.387   1.305   0.417  1.00  0.00           O  
HETATM   18  P   UNL     1      -1.896   0.995  -0.051  1.00  0.00           P  
HETATM   19  O   UNL     1      -1.872   0.146  -1.263  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.652   2.378  -0.379  1.00  0.00           O  
HETATM   21  O   UNL     1      -2.676   0.224   1.128  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.929  -0.179   0.791  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.128  -1.431   0.227  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.403  -1.838  -0.114  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.480  -0.999   0.105  1.00  0.00           C  
HETATM   26  N   UNL     1      -7.845  -1.439  -0.262  1.00  0.00           N1+
HETATM   27  O   UNL     1      -8.019  -2.538  -0.757  1.00  0.00           O1-
HETATM   28  O   UNL     1      -8.795  -0.701  -0.069  1.00  0.00           O  
HETATM   29  C   UNL     1      -6.285   0.249   0.667  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.012   0.659   1.015  1.00  0.00           C  
HETATM   31  H   UNL     1       4.962  -2.083  -2.199  1.00  0.00           H  
HETATM   32  H   UNL     1       7.610  -3.466   1.227  1.00  0.00           H  
HETATM   33  H   UNL     1       7.936  -1.920   2.048  1.00  0.00           H  
HETATM   34  H   UNL     1       6.630  -2.980   2.631  1.00  0.00           H  
HETATM   35  H   UNL     1       5.639  -0.470   2.253  1.00  0.00           H  
HETATM   36  H   UNL     1       4.062   1.116   1.921  1.00  0.00           H  
HETATM   37  H   UNL     1       4.714   2.953   0.713  1.00  0.00           H  
HETATM   38  H   UNL     1       5.029   1.916  -0.712  1.00  0.00           H  
HETATM   39  H   UNL     1       2.900   2.328  -1.623  1.00  0.00           H  
HETATM   40  H   UNL     1       3.616   4.564  -1.036  1.00  0.00           H  
HETATM   41  H   UNL     1       1.768   2.638   1.215  1.00  0.00           H  
HETATM   42  H   UNL     1       0.244   2.867  -0.780  1.00  0.00           H  
HETATM   43  H   UNL     1       0.743   1.243  -1.311  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.705   2.985   0.372  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.287  -2.086   0.055  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.559  -2.812  -0.553  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.127   0.902   0.837  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.860   1.634   1.454  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    9    3    1    1                                       
CONECT    3    4    2   31                                            
CONECT    4    6    5    5    3                                       
CONECT    5    4    4                                                 
CONECT    6    7    8    8    4                                       
CONECT    7    6   32   33   34                                       
CONECT    8    6    6    9   35                                       
CONECT    9    8   10    2                                            
CONECT   10   11    9   12   36                                       
CONECT   11   15   10                                                 
CONECT   12   13   10   37   38                                       
CONECT   13   15   12   14   39                                       
CONECT   14   13   40                                                 
CONECT   15   16   11   13   41                                       
CONECT   16   17   15   42   43                                       
CONECT   17   18   16                                                 
CONECT   18   19   19   20   21                                       
CONECT   18   17                                                      
CONECT   19   18   18                                                 
CONECT   20   18   44                                                 
CONECT   21   22   18                                                 
CONECT   22   30   30   23   21                                       
CONECT   23   24   24   22   45                                       
CONECT   24   25   23   23   46                                       
CONECT   25   26   29   29   24                                       
CONECT   26   27   28   28   25                                       
CONECT   27   26                                                      
CONECT   28   26   26                                                 
CONECT   29   25   25   30   47                                       
CONECT   30   29   22   22   48                                       
CONECT   31    3                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36   10                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   20                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   29                                                      
CONECT   48   30                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
