COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.886  -0.123   0.803  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.448   0.572  -0.183  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.660  -0.904   0.038  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.571  -1.802  -0.044  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.272  -1.333  -0.332  1.00  0.00           C  
HETATM    6  CA  UNL     1       1.932  -1.760  -0.790  1.00  0.00           C  
HETATM    7  C   UNL     1       2.176  -0.290  -1.015  1.00  0.00           C  
HETATM    8  C   UNL     1       2.543   0.375   0.313  1.00  0.00           C  
HETATM    9  C   UNL     1       2.748   1.860   0.123  1.00  0.00           C  
HETATM   10  C   UNL     1       4.067   2.121   0.476  1.00  0.00           C  
HETATM   11  C   UNL     1       4.540   3.429   0.396  1.00  0.00           C  
HETATM   12  C   UNL     1       3.706   4.443  -0.028  1.00  0.00           C  
HETATM   13  C   UNL     1       2.396   4.171  -0.376  1.00  0.00           C  
HETATM   14  C   UNL     1       1.918   2.873  -0.300  1.00  0.00           C  
HETATM   15  C   UNL     1       2.965  -2.678  -0.985  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.812  -3.182   0.170  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.074  -3.599   0.446  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.343  -5.064   0.676  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.894  -1.382   0.322  1.00  0.00           C  
HETATM   20  N   UNL     1       0.733  -2.182  -0.405  1.00  0.00           N  
HETATM   21  N   UNL     1       4.701   0.943   0.873  1.00  0.00           N  
HETATM   22  N   UNL     1      -4.096  -2.708   0.516  1.00  0.00           N  
HETATM   23  O   UNL     1      -3.304   3.260  -1.529  1.00  0.00           O  
HETATM   24  O   UNL     1      -5.394   3.262  -0.113  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.693   1.258  -0.041  1.00  0.00           O  
HETATM   26  O   UNL     1       4.172  -1.267   1.084  1.00  0.00           O  
HETATM   27  O   UNL     1       4.038  -2.303  -1.428  1.00  0.00           O  
HETATM   28  OXT UNL     1       2.777  -3.983  -0.684  1.00  0.00           O  
HETATM   29  O   UNL     1      -0.791  -4.078   0.100  1.00  0.00           O  
HETATM   30  O   UNL     1      -3.015   3.595   0.956  1.00  0.00           O  
HETATM   31  O   UNL     1       1.531   0.128   1.292  1.00  0.00           O  
HETATM   32  P   UNL     1      -3.840   2.853  -0.211  1.00  0.00           P  
HETATM   33  H   UNL     1      -1.738   0.951   0.552  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.055   0.736  -1.186  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.101  -0.279  -0.493  1.00  0.00           H  
HETATM   36  H   UNL     1       2.995  -0.162  -1.723  1.00  0.00           H  
HETATM   37  H   UNL     1       1.274   0.171  -1.415  1.00  0.00           H  
HETATM   38  H   UNL     1       5.562   3.649   0.666  1.00  0.00           H  
HETATM   39  H   UNL     1       4.078   5.455  -0.088  1.00  0.00           H  
HETATM   40  H   UNL     1       1.747   4.968  -0.707  1.00  0.00           H  
HETATM   41  H   UNL     1       0.896   2.657  -0.572  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.230  -5.292   1.736  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.359  -5.301   0.360  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.635  -5.659   0.098  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.728  -0.699   0.390  1.00  0.00           H  
HETATM   46  H   UNL     1       5.626   0.899   1.164  1.00  0.00           H  
HETATM   47  HXT UNL     1       3.548  -4.541  -0.853  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.059  -4.993   0.261  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.313   3.375   1.849  1.00  0.00           H  
HETATM   50  H   UNL     1       1.381  -0.809   1.474  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.991  -3.027   0.715  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.557   4.211  -0.207  1.00  0.00           H  
CONECT    1    8   26   26   21                                       
CONECT    2   25    3   33   34                                       
CONECT    3    2   19   19    4                                       
CONECT    4    3    5    5   16                                       
CONECT    5    4    4   20   35                                       
CONECT    6    7   20   20   15                                       
CONECT    7    6    8   36   37                                       
CONECT    8    7    9    1   31                                       
CONECT    9    8   14   14   10                                       
CONECT   10    9   21   11   11                                       
CONECT   11   10   10   12   38                                       
CONECT   12   11   13   13   39                                       
CONECT   13   12   12   14   40                                       
CONECT   14    9    9   13   41                                       
CONECT   15    6   27   27   28                                       
CONECT   16    4   17   17   29                                       
CONECT   17   16   16   22   18                                       
CONECT   18   17   42   43   44                                       
CONECT   19    3    3   22   45                                       
CONECT   20    5    6    6                                            
CONECT   21   10    1   46                                            
CONECT   22   17   19   51                                            
CONECT   23   32   32                                                 
CONECT   24   32   52                                                 
CONECT   25    2   32                                                 
CONECT   26    1    1                                                 
CONECT   27   15   15                                                 
CONECT   28   15   47                                                 
CONECT   29   16   48                                                 
CONECT   30   32   49                                                 
CONECT   31    8   50                                                 
CONECT   32   23   23   24   25                                       
CONECT   32   30                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    5                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   21                                                      
CONECT   47   28                                                      
CONECT   48   29                                                      
CONECT   49   30                                                      
CONECT   50   31                                                      
CONECT   51   22                                                      
CONECT   52   24                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
