COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.688  -0.004   1.441  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.598  -2.560  -1.678  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.051  -2.277  -3.079  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.906  -0.019   1.356  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.793   0.567   2.084  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.960   2.009  -0.066  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.262   4.150  -1.441  1.00  0.00           C  
HETATM    8  C   UNL     1       1.981   4.687  -1.292  1.00  0.00           C  
HETATM    9  C   UNL     1       5.917  -2.784   1.297  1.00  0.00           C  
HETATM   10  C   UNL     1       4.028  -0.693   1.229  1.00  0.00           C  
HETATM   11  C   UNL     1       2.946   0.058   0.451  1.00  0.00           C  
HETATM   12  C   UNL     1       2.213   1.016   1.392  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.194   1.206   0.690  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.901  -1.385  -0.260  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.541  -3.484  -2.287  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.017  -0.956   0.244  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.396  -0.841   0.371  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.201  -0.240   1.128  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.084   3.049  -0.606  1.00  0.00           C  
HETATM   20  C   UNL     1       2.247   3.622  -0.460  1.00  0.00           C  
HETATM   21  C   UNL     1       1.203   2.773  -0.099  1.00  0.00           C  
HETATM   22  N   UNL     1       1.102   1.648   0.677  1.00  0.00           N  
HETATM   23  N   UNL     1      -1.885  -0.533   0.783  1.00  0.00           N  
HETATM   24  N   UNL     1      -3.175  -1.670  -0.594  1.00  0.00           N  
HETATM   25  N   UNL     1      -5.108   0.650   2.167  1.00  0.00           N  
HETATM   26  N   UNL     1       0.762   4.919  -1.749  1.00  0.00           N  
HETATM   27  O   UNL     1       5.582  -1.257  -0.826  1.00  0.00           O  
HETATM   28  O   UNL     1       3.800  -2.848  -0.274  1.00  0.00           O  
HETATM   29  O   UNL     1      -0.915  -1.830  -0.816  1.00  0.00           O  
HETATM   30  S   UNL     1       4.800  -1.931   0.150  1.00  0.00           S  
HETATM   31  H   UNL     1       0.089  -0.768   1.450  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.931   0.279   2.465  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.616  -2.941  -1.603  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.709  -2.472  -3.925  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.376  -1.429  -3.194  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.976   0.082   1.462  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.175   1.131   2.767  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.020   1.905  -0.245  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.242   4.373  -1.836  1.00  0.00           H  
HETATM   40  H   UNL     1       2.786   5.349  -1.575  1.00  0.00           H  
HETATM   41  H   UNL     1       6.631  -2.069   1.708  1.00  0.00           H  
HETATM   42  H   UNL     1       5.337  -3.225   2.109  1.00  0.00           H  
HETATM   43  H   UNL     1       6.453  -3.569   0.765  1.00  0.00           H  
HETATM   44  H   UNL     1       4.785   0.012   1.572  1.00  0.00           H  
HETATM   45  H   UNL     1       3.579  -1.190   2.089  1.00  0.00           H  
HETATM   46  H   UNL     1       3.408   0.626  -0.357  1.00  0.00           H  
HETATM   47  H   UNL     1       2.236  -0.656   0.034  1.00  0.00           H  
HETATM   48  H   UNL     1       1.827   0.461   2.247  1.00  0.00           H  
HETATM   49  H   UNL     1       2.904   1.784   1.740  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.531  -3.429  -1.881  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.864  -4.473  -2.612  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.056  -1.385  -0.288  1.00  0.00           H  
HETATM   53  H   UNL     1       3.249   3.447  -0.095  1.00  0.00           H  
CONECT    1   23   13   31   32                                       
CONECT    2    3   15   24   33                                       
CONECT    3   15    2   34   35                                       
CONECT    4   17   17   25   36                                       
CONECT    5   18   25   25   37                                       
CONECT    6   13   13   19   38                                       
CONECT    7   19   19   26   39                                       
CONECT    8   20   26   26   40                                       
CONECT    9   30   41   42   43                                       
CONECT   10   30   11   44   45                                       
CONECT   11   12   10   46   47                                       
CONECT   12   11   22   48   49                                       
CONECT   13    1   22    6    6                                       
CONECT   14   29   29   24   23                                       
CONECT   15    3    2   50   51                                       
CONECT   16   24   18   18   17                                       
CONECT   17   16    4    4   52                                       
CONECT   18   23   16   16    5                                       
CONECT   19    6   21    7    7                                       
CONECT   20   21   21    8   53                                       
CONECT   21   22   20   20   19                                       
CONECT   22   12   13   21                                            
CONECT   23   14    1   18                                            
CONECT   24    2   14   16                                            
CONECT   25    5    5    4                                            
CONECT   26    8    8    7                                            
CONECT   27   30   30                                                 
CONECT   28   30   30                                                 
CONECT   29   14   14                                                 
CONECT   30   27   27   10   28                                       
CONECT   30   28    9                                                 
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   17                                                      
CONECT   53   20                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
