COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.552   0.009   1.308  1.00  0.00           C  
HETATM    2  C   UNL     1       6.932  -0.773   2.382  1.00  0.00           C  
HETATM    3  C   UNL     1       6.135  -0.832   3.510  1.00  0.00           C  
HETATM    4  C   UNL     1       4.958  -0.108   3.563  1.00  0.00           C  
HETATM    5  C   UNL     1       4.578   0.674   2.489  1.00  0.00           C  
HETATM    6  C   UNL     1       5.378   0.738   1.363  1.00  0.00           C  
HETATM    7  C   UNL     1       4.965   1.590   0.192  1.00  0.00           C  
HETATM    8  O   UNL     1       6.126   2.159  -0.417  1.00  0.00           O  
HETATM    9  C   UNL     1       4.234   0.740  -0.816  1.00  0.00           C  
HETATM   10  C   UNL     1       2.851   0.759  -0.863  1.00  0.00           C  
HETATM   11  C   UNL     1       2.186  -0.020  -1.783  1.00  0.00           C  
HETATM   12  C   UNL     1       4.946  -0.053  -1.695  1.00  0.00           C  
HETATM   13  C   UNL     1       4.278  -0.837  -2.619  1.00  0.00           C  
HETATM   14  C   UNL     1       2.902  -0.826  -2.660  1.00  0.00           C  
HETATM   15  C   UNL     1       1.879  -1.548  -3.505  1.00  0.00           C  
HETATM   16  O   UNL     1       0.643  -0.824  -3.359  1.00  0.00           O  
HETATM   17  B   UNL     1       0.686  -0.244  -2.123  1.00  0.00           B1-
HETATM   18  O   UNL     1       0.013   0.969  -2.146  1.00  0.00           O  
HETATM   19  O   UNL     1       0.126  -1.103  -1.182  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.203  -0.637  -1.101  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.846   0.907  -1.057  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.204   1.485  -0.830  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.095   2.825  -0.099  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.391   3.417   0.006  1.00  0.00           O  
HETATM   25  P   UNL     1      -3.652   4.837   0.720  1.00  0.00           P  
HETATM   26  O   UNL     1      -2.787   5.866   0.100  1.00  0.00           O  
HETATM   27  O   UNL     1      -5.196   5.253   0.539  1.00  0.00           O  
HETATM   28  O   UNL     1      -3.307   4.720   2.288  1.00  0.00           O  
HETATM   29  O   UNL     1      -2.901   0.513  -0.001  1.00  0.00           O  
HETATM   30  C   UNL     1      -2.062  -0.670   0.146  1.00  0.00           C  
HETATM   31  N   UNL     1      -2.881  -1.885   0.178  1.00  0.00           N  
HETATM   32  C   UNL     1      -4.166  -2.003  -0.262  1.00  0.00           C  
HETATM   33  N   UNL     1      -4.585  -3.223  -0.087  1.00  0.00           N  
HETATM   34  C   UNL     1      -3.598  -3.963   0.474  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.493  -3.113   0.651  1.00  0.00           C  
HETATM   36  N   UNL     1      -1.381  -3.604   1.187  1.00  0.00           N  
HETATM   37  C   UNL     1      -1.312  -4.866   1.553  1.00  0.00           C  
HETATM   38  N   UNL     1      -2.326  -5.701   1.411  1.00  0.00           N  
HETATM   39  C   UNL     1      -3.476  -5.303   0.879  1.00  0.00           C  
HETATM   40  N   UNL     1      -4.531  -6.186   0.730  1.00  0.00           N  
HETATM   41  H   UNL     1       7.175   0.056   0.426  1.00  0.00           H  
HETATM   42  H   UNL     1       7.851  -1.338   2.340  1.00  0.00           H  
HETATM   43  H   UNL     1       6.431  -1.444   4.349  1.00  0.00           H  
HETATM   44  H   UNL     1       4.335  -0.155   4.444  1.00  0.00           H  
HETATM   45  H   UNL     1       3.659   1.239   2.530  1.00  0.00           H  
HETATM   46  H   UNL     1       4.308   2.389   0.538  1.00  0.00           H  
HETATM   47  H   UNL     1       6.756   1.505  -0.749  1.00  0.00           H  
HETATM   48  H   UNL     1       2.295   1.382  -0.179  1.00  0.00           H  
HETATM   49  H   UNL     1       6.026  -0.060  -1.662  1.00  0.00           H  
HETATM   50  H   UNL     1       4.835  -1.456  -3.307  1.00  0.00           H  
HETATM   51  H   UNL     1       2.187  -1.554  -4.551  1.00  0.00           H  
HETATM   52  H   UNL     1       1.759  -2.569  -3.145  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.776  -0.916  -1.985  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.260   1.065  -0.151  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.724   1.613  -1.779  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.688   2.662   0.899  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.436   3.490  -0.656  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.425   6.100   0.946  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.837   4.062   2.760  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.445  -0.597   1.041  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.750  -1.203  -0.691  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.393  -5.234   1.985  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.367  -5.883   0.342  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.435  -7.109   1.013  1.00  0.00           H  
CONECT    1    6    2    2   41                                       
CONECT    2    1    1    3   42                                       
CONECT    3    4    4    2   43                                       
CONECT    4    5    3    3   44                                       
CONECT    5    6    6    4   45                                       
CONECT    6    7    5    5    1                                       
CONECT    7    9    8    6   46                                       
CONECT    8    7   47                                                 
CONECT    9   12   12   10    7                                       
CONECT   10   11   11    9   48                                       
CONECT   11   14   17   10   10                                       
CONECT   12   13    9    9   49                                       
CONECT   13   14   14   12   50                                       
CONECT   14   15   13   13   11                                       
CONECT   15   16   14   51   52                                       
CONECT   16   15   17                                                 
CONECT   17   16   19   11   18                                       
CONECT   18   17   21                                                 
CONECT   19   17   20                                                 
CONECT   20   19   30   21   53                                       
CONECT   21   20   18   22   54                                       
CONECT   22   21   29   23   55                                       
CONECT   23   22   24   56   57                                       
CONECT   24   23   25                                                 
CONECT   25   24   26   26   28                                       
CONECT   25   27                                                      
CONECT   26   25   25                                                 
CONECT   27   25   58                                                 
CONECT   28   25   59                                                 
CONECT   29   30   22                                                 
CONECT   30   20   31   29   60                                       
CONECT   31   32   35   30                                            
CONECT   32   33   33   31   61                                       
CONECT   33   34   32   32                                            
CONECT   34   33   39   39   35                                       
CONECT   35   34   31   36   36                                       
CONECT   36   35   35   37                                            
CONECT   37   38   38   36   62                                       
CONECT   38   39   37   37                                            
CONECT   39   40   34   34   38                                       
CONECT   40   39   63   64                                            
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48   10                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   30                                                      
CONECT   61   32                                                      
CONECT   62   37                                                      
CONECT   63   40                                                      
CONECT   64   40                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
