COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.776   1.560   0.960  1.00  0.00           C  
HETATM    2  C   UNL     1       2.546  -1.828   0.096  1.00  0.00           C  
HETATM    3  C   UNL     1       1.320  -1.812   0.761  1.00  0.00           C  
HETATM    4  N   UNL     1       1.364   1.523   2.250  1.00  0.00           N  
HETATM    5  N   UNL     1       3.394   2.587   1.746  1.00  0.00           N  
HETATM    6  O   UNL     1      -8.182  -0.693  -0.260  1.00  0.00           O  
HETATM    7  P   UNL     1      -7.668   0.553  -0.870  1.00  0.00           P  
HETATM    8  O   UNL     1      -8.268   0.711  -2.355  1.00  0.00           O  
HETATM    9  O   UNL     1      -8.115   1.814   0.026  1.00  0.00           O  
HETATM   10  O   UNL     1      -6.061   0.491  -0.945  1.00  0.00           O  
HETATM   11  C   UNL     1      -5.237   0.249   0.198  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.766   0.255  -0.223  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.406   1.561  -0.679  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.892  -0.126   0.973  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.252  -1.432   1.429  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.421  -0.121   0.552  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.061   1.185   0.096  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.547  -0.502   1.749  1.00  0.00           C  
HETATM   19  N   UNL     1       0.849  -0.615   1.317  1.00  0.00           N  
HETATM   20  C   UNL     1       3.020  -3.006  -0.456  1.00  0.00           C  
HETATM   21  C   UNL     1       2.274  -4.166  -0.346  1.00  0.00           C  
HETATM   22  C   UNL     1       2.787  -5.449  -0.946  1.00  0.00           C  
HETATM   23  C   UNL     1       1.059  -4.151   0.313  1.00  0.00           C  
HETATM   24  C   UNL     1       0.253  -5.419   0.429  1.00  0.00           C  
HETATM   25  C   UNL     1       0.579  -2.978   0.867  1.00  0.00           C  
HETATM   26  C   UNL     1       1.703   0.454   1.456  1.00  0.00           C  
HETATM   27  C   UNL     1       2.207   2.564   2.378  1.00  0.00           C  
HETATM   28  O   UNL     1       1.889   3.505   3.081  1.00  0.00           O  
HETATM   29  O   UNL     1       4.855   1.586   0.393  1.00  0.00           O  
HETATM   30  C   UNL     1       2.919   0.458   0.805  1.00  0.00           C  
HETATM   31  N   UNL     1       3.289  -0.640  -0.002  1.00  0.00           N  
HETATM   32  C   UNL     1       4.333  -0.549  -0.849  1.00  0.00           C  
HETATM   33  O   UNL     1       4.983  -1.541  -1.122  1.00  0.00           O  
HETATM   34  C   UNL     1       4.688   0.754  -1.447  1.00  0.00           C  
HETATM   35  C   UNL     1       3.786   1.818  -1.397  1.00  0.00           C  
HETATM   36  C   UNL     1       4.126   3.034  -1.953  1.00  0.00           C  
HETATM   37  C   UNL     1       5.359   3.201  -2.558  1.00  0.00           C  
HETATM   38  C   UNL     1       6.258   2.151  -2.611  1.00  0.00           C  
HETATM   39  C   UNL     1       5.931   0.929  -2.060  1.00  0.00           C  
HETATM   40  H   UNL     1       0.515   1.527   2.718  1.00  0.00           H  
HETATM   41  H   UNL     1       3.981   3.350   1.857  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.234   0.755  -2.387  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.812   2.666  -0.315  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.406   1.031   0.939  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.488  -0.720   0.628  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.616  -0.465  -1.027  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.515   2.253  -0.013  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.043   0.594   1.778  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.143  -2.125   0.764  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.271  -0.841  -0.252  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.097   1.865   0.783  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.629   0.266   2.518  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.880  -1.458   2.152  1.00  0.00           H  
HETATM   54  H   UNL     1       3.969  -3.019  -0.972  1.00  0.00           H  
HETATM   55  H   UNL     1       3.387  -5.981  -0.207  1.00  0.00           H  
HETATM   56  H   UNL     1       1.945  -6.073  -1.246  1.00  0.00           H  
HETATM   57  H   UNL     1       3.401  -5.223  -1.817  1.00  0.00           H  
HETATM   58  H   UNL     1       0.535  -5.947   1.340  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.809  -5.174   0.465  1.00  0.00           H  
HETATM   60  H   UNL     1       0.449  -6.055  -0.435  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.370  -2.970   1.382  1.00  0.00           H  
HETATM   62  H   UNL     1       2.823   1.689  -0.925  1.00  0.00           H  
HETATM   63  H   UNL     1       3.429   3.858  -1.915  1.00  0.00           H  
HETATM   64  H   UNL     1       5.620   4.155  -2.992  1.00  0.00           H  
HETATM   65  H   UNL     1       7.219   2.287  -3.086  1.00  0.00           H  
HETATM   66  H   UNL     1       6.635   0.112  -2.098  1.00  0.00           H  
CONECT    1    5   30   29   29                                       
CONECT    2    3    3   31   20                                       
CONECT    3   19   25    2    2                                       
CONECT    4   27   26   40                                            
CONECT    5   27    1   41                                            
CONECT    6    7    7                                                 
CONECT    7   10    6    6    9                                       
CONECT    7    8                                                      
CONECT    8    7   42                                                 
CONECT    9    7   43                                                 
CONECT   10   11    7                                                 
CONECT   11   12   10   44   45                                       
CONECT   12   14   11   13   46                                       
CONECT   13   12   47                                                 
CONECT   14   15   12   16   48                                       
CONECT   15   14   49                                                 
CONECT   16   17   14   18   50                                       
CONECT   17   16   51                                                 
CONECT   18   16   19   52   53                                       
CONECT   19   18   26    3                                            
CONECT   20    2   21   21   54                                       
CONECT   21   23   20   20   22                                       
CONECT   22   21   55   56   57                                       
CONECT   23   25   25   24   21                                       
CONECT   24   23   58   59   60                                       
CONECT   25    3   23   23   61                                       
CONECT   26    4   19   30   30                                       
CONECT   27   28   28    4    5                                       
CONECT   28   27   27                                                 
CONECT   29    1    1                                                 
CONECT   30   26   26    1   31                                       
CONECT   31   30   32    2                                            
CONECT   32   34   31   33   33                                       
CONECT   33   32   32                                                 
CONECT   34   35   35   39   32                                       
CONECT   35   36   34   34   62                                       
CONECT   36   37   37   35   63                                       
CONECT   37   36   36   38   64                                       
CONECT   38   37   39   39   65                                       
CONECT   39   38   38   34   66                                       
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   20                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   24                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   35                                                      
CONECT   63   36                                                      
CONECT   64   37                                                      
CONECT   65   38                                                      
CONECT   66   39                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
