COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.192   3.846  79.923  1.00  0.00           C1+
HETATM    2  C   UNL     1      -0.081   5.060  82.830  1.00  0.00           C1+
HETATM    3  C   UNL     1       1.390   5.673  82.517  1.00  0.00           C  
HETATM    4  C   UNL     1       1.367   2.853  80.994  1.00  0.00           C  
HETATM    5  O   UNL     1       6.115   7.153  78.988  1.00  0.00           O  
HETATM    6  N   UNL     1      -0.818   0.961  85.270  1.00  0.00           N  
HETATM    7  N   UNL     1       5.397   6.695  81.362  1.00  0.00           N  
HETATM    8  B   UNL     1      -0.485   6.702  80.678  1.00  0.00           B  
HETATM    9  B   UNL     1       0.165   8.056  81.609  1.00  0.00           B  
HETATM   10  B   UNL     1      -1.419   7.332  82.002  1.00  0.00           B  
HETATM   11  B   UNL     1       1.242   6.708  81.143  1.00  0.00           B  
HETATM   12  B   UNL     1       1.328   7.400  82.767  1.00  0.00           B  
HETATM   13  B   UNL     1      -1.286   5.541  81.743  1.00  0.00           B  
HETATM   14  B   UNL     1      -1.166   6.293  83.394  1.00  0.00           B  
HETATM   15  B   UNL     1       0.504   6.353  83.883  1.00  0.00           B  
HETATM   16  B   UNL     1      -0.329   7.827  83.342  1.00  0.00           B  
HETATM   17  C   UNL     1      -0.332   3.727  83.566  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.247   3.798  85.097  1.00  0.00           C  
HETATM   19  S   UNL     1      -1.174   2.418  85.862  1.00  0.00           S  
HETATM   20  O   UNL     1      -2.616   2.673  85.575  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.866   2.502  87.292  1.00  0.00           O  
HETATM   22  S   UNL     1       5.707   6.053  79.950  1.00  0.00           S  
HETATM   23  O   UNL     1       6.663   4.904  80.031  1.00  0.00           O  
HETATM   24  C   UNL     1       4.135   5.372  79.315  1.00  0.00           C  
HETATM   25  C   UNL     1       3.545   4.448  80.340  1.00  0.00           C  
HETATM   26  B   UNL     1       2.125   3.318  78.232  1.00  0.00           B  
HETATM   27  B   UNL     1       2.299   2.178  79.598  1.00  0.00           B  
HETATM   28  B   UNL     1       0.425   3.373  77.830  1.00  0.00           B  
HETATM   29  B   UNL     1      -0.490   2.255  78.859  1.00  0.00           B  
HETATM   30  B   UNL     1       0.704   1.525  79.988  1.00  0.00           B  
HETATM   31  B   UNL     1       1.156   1.828  78.306  1.00  0.00           B  
HETATM   32  B   UNL     1      -0.520   4.026  79.175  1.00  0.00           B  
HETATM   33 CO   UNL     1       0.518   4.794  80.827  1.00  0.00          Co  
HETATM   34  B   UNL     1      -0.342   2.851  80.525  1.00  0.00           B  
HETATM   35  B   UNL     1       1.102   4.600  78.872  1.00  0.00           B  
HETATM   36  H   UNL     1       0.807   1.993  80.596  1.00  0.00           H  
HETATM   37  H   UNL     1       1.856   2.568  81.937  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.365   0.267  85.739  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.022   0.940  84.291  1.00  0.00           H  
HETATM   40  H   UNL     1       5.127   5.977  82.003  1.00  0.00           H  
HETATM   41  H   UNL     1       6.215   7.157  81.705  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.339   3.375  83.297  1.00  0.00           H  
HETATM   43  H   UNL     1       0.416   3.000  83.217  1.00  0.00           H  
HETATM   44  H   UNL     1       0.808   3.738  85.403  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.674   4.753  85.438  1.00  0.00           H  
HETATM   46  H   UNL     1       3.433   6.194  79.114  1.00  0.00           H  
HETATM   47  H   UNL     1       4.324   4.816  78.385  1.00  0.00           H  
HETATM   48  H   UNL     1       3.402   5.011  81.274  1.00  0.00           H  
HETATM   49  H   UNL     1       4.253   3.624  80.514  1.00  0.00           H  
HETATM   50  H   UNL     1       2.348   5.254  82.859  1.00  0.00           H  
CONECT    1    4   25   27   33                                       
CONECT    1   35                                                      
CONECT    2    3   13   14   17                                       
CONECT    2   33                                                      
CONECT    3    2   11   33   50                                       
CONECT    4    1   33   36   37                                       
CONECT    5   22   22                                                 
CONECT    6   19   38   39                                            
CONECT    7   22   40   41                                            
CONECT    8    9   10   11   13                                       
CONECT    8   33                                                      
CONECT    9    8   10   11   12                                       
CONECT   10    8    9   14                                            
CONECT   11    3    8    9   12                                       
CONECT   11   33                                                      
CONECT   12    9   11   15                                            
CONECT   13    2    8   33                                            
CONECT   14    2   10   15   16                                       
CONECT   15   12   14   16                                            
CONECT   16   14   15                                                 
CONECT   17    2   18   42   43                                       
CONECT   18   17   19   44   45                                       
CONECT   19    6   18   20   20                                       
CONECT   19   21   21                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22    5    5    7   23                                       
CONECT   22   23   24                                                 
CONECT   23   22   22                                                 
CONECT   24   22   25   46   47                                       
CONECT   25    1   24   48   49                                       
CONECT   26   27   28   31   35                                       
CONECT   27    1   26   30   31                                       
CONECT   28   26   29   31   32                                       
CONECT   28   35                                                      
CONECT   29   28   31   34                                            
CONECT   30   27   31   34                                            
CONECT   31   26   27   28   29                                       
CONECT   31   30                                                      
CONECT   32   28   33   35                                            
CONECT   33    1    2    3    4                                       
CONECT   33    8   11   13   32                                       
CONECT   33   34   35                                                 
CONECT   34   29   30   33                                            
CONECT   35    1   26   28   32                                       
CONECT   35   33                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50    3                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
