COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.223   0.808  -0.185  1.00  0.00           N  
HETATM    2  N   UNL     1      -1.201  -2.245  -0.474  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.016   2.441  -0.506  1.00  0.00           C  
HETATM    4  C   UNL     1       0.450   0.383   0.316  1.00  0.00           C  
HETATM    5  C   UNL     1       1.185   1.393  -0.278  1.00  0.00           C  
HETATM    6  C   UNL     1       2.414   1.113  -0.843  1.00  0.00           C  
HETATM    7  C   UNL     1       2.910  -0.183  -0.815  1.00  0.00           C  
HETATM    8  C   UNL     1       0.942  -0.908   0.346  1.00  0.00           C  
HETATM    9  C   UNL     1       7.611  -0.001  -0.459  1.00  0.00           C  
HETATM   10  C   UNL     1       5.138   0.458   0.589  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.574  -0.264   1.180  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.367  -0.363  -0.333  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.867  -0.425  -0.643  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.553   2.095  -0.799  1.00  0.00           C  
HETATM   15  S   UNL     1      -5.072   1.105  -1.141  1.00  0.00           S  
HETATM   16  S   UNL     1      -1.114   0.745   1.043  1.00  0.00           S  
HETATM   17  C   UNL     1       2.171  -1.194  -0.218  1.00  0.00           C  
HETATM   18  O   UNL     1       4.119  -0.461  -1.371  1.00  0.00           O  
HETATM   19  C   UNL     1       5.233  -0.125  -0.673  1.00  0.00           C  
HETATM   20  C   UNL     1       6.502  -0.356  -1.199  1.00  0.00           C  
HETATM   21  N   UNL     1       7.479   0.551   0.733  1.00  0.00           N  
HETATM   22  C   UNL     1       6.295   0.785   1.266  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.019   2.063   1.565  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.458  -0.382   1.837  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.256  -1.605   0.068  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.626  -3.354   0.193  1.00  0.00           O  
HETATM   27  O   UNL     1      -2.713  -1.978   1.127  1.00  0.00           O  
HETATM   28  C   UNL     1      -5.052  -1.623  -0.863  1.00  0.00           C  
HETATM   29  H   UNL     1      -0.835  -1.946  -1.322  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.160   2.541   0.570  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.276   3.377  -0.999  1.00  0.00           H  
HETATM   32  H   UNL     1       0.798   2.401  -0.300  1.00  0.00           H  
HETATM   33  H   UNL     1       2.987   1.902  -1.307  1.00  0.00           H  
HETATM   34  H   UNL     1       0.366  -1.695   0.811  1.00  0.00           H  
HETATM   35  H   UNL     1       8.598  -0.180  -0.857  1.00  0.00           H  
HETATM   36  H   UNL     1       4.172   0.653   1.030  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.868   0.453   1.598  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.592   0.065   1.387  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.409  -1.242   1.634  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.723  -0.533  -1.717  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.907   2.870  -0.385  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.402   2.034  -1.876  1.00  0.00           H  
HETATM   43  H   UNL     1       2.555  -2.203  -0.195  1.00  0.00           H  
HETATM   44  H   UNL     1       6.617  -0.806  -2.174  1.00  0.00           H  
HETATM   45  H   UNL     1       6.230   1.238   2.244  1.00  0.00           H  
HETATM   46  H   UNL     1       0.125  -3.747  -0.272  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.120  -1.575  -0.646  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.904  -1.692  -1.941  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.623  -2.501  -0.381  1.00  0.00           H  
CONECT    1   13   14   16                                            
CONECT    2   25   26   29                                            
CONECT    3   14   15   30   31                                       
CONECT    4    5    5    8   16                                       
CONECT    5    4    4    6   32                                       
CONECT    6    5    7    7   33                                       
CONECT    7    6    6   17   18                                       
CONECT    8    4   17   17   34                                       
CONECT    9   20   20   21   35                                       
CONECT   10   19   19   22   36                                       
CONECT   11   12   37   38   39                                       
CONECT   12   11   13   15   28                                       
CONECT   13    1   12   25   40                                       
CONECT   14    1    3   41   42                                       
CONECT   15    3   12                                                 
CONECT   16    1    4   23   23                                       
CONECT   16   24   24                                                 
CONECT   17    7    8    8   43                                       
CONECT   18    7   19                                                 
CONECT   19   10   10   18   20                                       
CONECT   20    9    9   19   44                                       
CONECT   21    9   22   22                                            
CONECT   22   10   21   21   45                                       
CONECT   23   16   16                                                 
CONECT   24   16   16                                                 
CONECT   25    2   13   27   27                                       
CONECT   26    2   46                                                 
CONECT   27   25   25                                                 
CONECT   28   12   47   48   49                                       
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   17                                                      
CONECT   44   20                                                      
CONECT   45   22                                                      
CONECT   46   26                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
