COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.931  -3.425  -0.042  1.00  0.00           O  
HETATM    2  P   UNL     1       1.486  -2.086   0.406  1.00  0.00           P  
HETATM    3  O   UNL     1       1.907  -0.987  -0.692  1.00  0.00           O  
HETATM    4  O   UNL     1       2.182  -1.733   1.814  1.00  0.00           O  
HETATM    5  C   UNL     1       3.598  -1.758   2.011  1.00  0.00           C  
HETATM    6  C   UNL     1       3.942  -2.772   3.104  1.00  0.00           C  
HETATM    7  C   UNL     1       4.079  -0.369   2.433  1.00  0.00           C  
HETATM    8  C   UNL     1       3.847   0.621   1.289  1.00  0.00           C  
HETATM    9  C   UNL     1       4.213   2.033   1.754  1.00  0.00           C  
HETATM   10  O   UNL     1       5.572   2.055   2.192  1.00  0.00           O  
HETATM   11  C   UNL     1       4.035   3.008   0.586  1.00  0.00           C  
HETATM   12  O   UNL     1       4.444   4.316   0.990  1.00  0.00           O  
HETATM   13  C   UNL     1       4.899   2.541  -0.590  1.00  0.00           C  
HETATM   14  O   UNL     1       4.686   3.403  -1.710  1.00  0.00           O  
HETATM   15  C   UNL     1       4.507   1.109  -0.964  1.00  0.00           C  
HETATM   16  C   UNL     1       5.406   0.614  -2.099  1.00  0.00           C  
HETATM   17  O   UNL     1       6.776   0.748  -1.714  1.00  0.00           O  
HETATM   18  C   UNL     1       5.099  -0.856  -2.388  1.00  0.00           C  
HETATM   19  O   UNL     1       5.854  -1.286  -3.523  1.00  0.00           O  
HETATM   20  O   UNL     1       4.666   0.261   0.174  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.114  -2.083   0.583  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.013  -2.463  -0.461  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.454  -2.346   0.039  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.439  -2.870  -1.030  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.826  -4.214  -0.738  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.651  -1.918  -0.921  1.00  0.00           C  
HETATM   27  O   UNL     1      -5.827  -2.645  -0.561  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.256  -0.933   0.200  1.00  0.00           C  
HETATM   29  O   UNL     1      -2.812  -0.959   0.223  1.00  0.00           O  
HETATM   30  N   UNL     1      -4.736   0.415  -0.113  1.00  0.00           N  
HETATM   31  C   UNL     1      -5.963   0.936   0.213  1.00  0.00           C  
HETATM   32  N   UNL     1      -7.039   0.479   0.845  1.00  0.00           N  
HETATM   33  C   UNL     1      -8.098   1.243   1.007  1.00  0.00           C  
HETATM   34  N   UNL     1      -8.152   2.484   0.558  1.00  0.00           N  
HETATM   35  C   UNL     1      -7.124   3.028  -0.086  1.00  0.00           C  
HETATM   36  N   UNL     1      -7.189   4.329  -0.552  1.00  0.00           N  
HETATM   37  C   UNL     1      -5.970   2.251  -0.283  1.00  0.00           C  
HETATM   38  N   UNL     1      -4.770   2.461  -0.874  1.00  0.00           N  
HETATM   39  C   UNL     1      -4.044   1.385  -0.776  1.00  0.00           C  
HETATM   40  H   UNL     1       1.647  -0.084  -0.464  1.00  0.00           H  
HETATM   41  H   UNL     1       4.089  -2.046   1.081  1.00  0.00           H  
HETATM   42  H   UNL     1       3.599  -3.762   2.803  1.00  0.00           H  
HETATM   43  H   UNL     1       5.022  -2.791   3.254  1.00  0.00           H  
HETATM   44  H   UNL     1       3.451  -2.484   4.034  1.00  0.00           H  
HETATM   45  H   UNL     1       3.524  -0.044   3.313  1.00  0.00           H  
HETATM   46  H   UNL     1       5.142  -0.409   2.669  1.00  0.00           H  
HETATM   47  H   UNL     1       2.799   0.595   0.993  1.00  0.00           H  
HETATM   48  H   UNL     1       3.559   2.326   2.576  1.00  0.00           H  
HETATM   49  H   UNL     1       5.872   2.920   2.501  1.00  0.00           H  
HETATM   50  H   UNL     1       2.988   3.030   0.285  1.00  0.00           H  
HETATM   51  H   UNL     1       4.358   4.986   0.297  1.00  0.00           H  
HETATM   52  H   UNL     1       5.950   2.569  -0.303  1.00  0.00           H  
HETATM   53  H   UNL     1       4.910   4.329  -1.542  1.00  0.00           H  
HETATM   54  H   UNL     1       3.467   1.090  -1.290  1.00  0.00           H  
HETATM   55  H   UNL     1       5.221   1.207  -2.994  1.00  0.00           H  
HETATM   56  H   UNL     1       7.013   0.246  -0.923  1.00  0.00           H  
HETATM   57  H   UNL     1       5.369  -1.461  -1.522  1.00  0.00           H  
HETATM   58  H   UNL     1       4.035  -0.971  -2.595  1.00  0.00           H  
HETATM   59  H   UNL     1       5.709  -2.211  -3.764  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.872  -1.805  -1.319  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.813  -3.493  -0.757  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.577  -2.898   0.971  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.993  -2.808  -2.023  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.444  -4.593  -1.378  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.805  -1.387  -1.860  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.086  -3.320  -1.205  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.656  -1.266   1.158  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.956   0.841   1.525  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.991   4.856  -0.410  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.433   4.715  -1.021  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.040   1.277  -1.158  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   21    4    1    1                                       
CONECT    2    3                                                      
CONECT    3    2   40                                                 
CONECT    4    5    2                                                 
CONECT    5    6    7    4   41                                       
CONECT    6    5   42   43   44                                       
CONECT    7    5    8   45   46                                       
CONECT    8    7    9   20   47                                       
CONECT    9   10    8   11   48                                       
CONECT   10    9   49                                                 
CONECT   11    9   12   13   50                                       
CONECT   12   11   51                                                 
CONECT   13   11   15   14   52                                       
CONECT   14   13   53                                                 
CONECT   15   20   16   13   54                                       
CONECT   16   18   15   17   55                                       
CONECT   17   16   56                                                 
CONECT   18   16   19   57   58                                       
CONECT   19   18   59                                                 
CONECT   20    8   15                                                 
CONECT   21   22    2                                                 
CONECT   22   23   21   60   61                                       
CONECT   23   29   24   22   62                                       
CONECT   24   26   25   23   63                                       
CONECT   25   24   64                                                 
CONECT   26   28   27   24   65                                       
CONECT   27   26   66                                                 
CONECT   28   30   29   26   67                                       
CONECT   29   28   23                                                 
CONECT   30   31   39   28                                            
CONECT   31   32   32   37   30                                       
CONECT   32   33   31   31                                            
CONECT   33   34   34   32   68                                       
CONECT   34   33   33   35                                            
CONECT   35   34   36   37   37                                       
CONECT   36   35   69   70                                            
CONECT   37   35   35   31   38                                       
CONECT   38   37   39   39                                            
CONECT   39   38   38   30   71                                       
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   33                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
CONECT   71   39                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
