COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1     -10.554  -1.163   1.838  1.00  0.00           N  
HETATM    2  C   UNL     1      -9.576  -0.886   1.332  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.342  -0.536   0.695  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.953   0.802   0.606  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.763   1.131  -0.010  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.519  -1.533   0.165  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.332  -1.189  -0.447  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.956   0.139  -0.538  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.657   0.507  -1.209  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.165   1.126  -2.037  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.362   0.831  -0.684  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.318   0.857   0.197  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.931   1.445  -2.511  1.00  0.00           C  
HETATM   14  C   UNL     1       0.166   1.480  -1.632  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.031   1.182  -0.261  1.00  0.00           C  
HETATM   16  C   UNL     1       1.067   1.219   0.617  1.00  0.00           C  
HETATM   17  C   UNL     1       1.454   1.806  -2.088  1.00  0.00           C  
HETATM   18  C   UNL     1       2.493   1.832  -1.210  1.00  0.00           C  
HETATM   19  C   UNL     1       2.300   1.539   0.139  1.00  0.00           C  
HETATM   20  S   UNL     1       3.674   1.584   1.242  1.00  0.00           S  
HETATM   21  O   UNL     1       4.639   2.440   0.647  1.00  0.00           O  
HETATM   22  O   UNL     1       3.138   1.801   2.541  1.00  0.00           O  
HETATM   23  N   UNL     1       4.339   0.068   1.258  1.00  0.00           N  
HETATM   24  C   UNL     1       4.954  -0.476   0.045  1.00  0.00           C  
HETATM   25  C   UNL     1       6.438  -0.215   0.073  1.00  0.00           C  
HETATM   26  O   UNL     1       6.932   0.365   1.010  1.00  0.00           O  
HETATM   27  O   UNL     1       7.211  -0.627  -0.944  1.00  0.00           O  
HETATM   28  C   UNL     1       4.702  -1.983  -0.024  1.00  0.00           C  
HETATM   29  C   UNL     1       3.202  -2.243  -0.178  1.00  0.00           C  
HETATM   30  C   UNL     1       2.954  -3.728  -0.245  1.00  0.00           C  
HETATM   31  O   UNL     1       3.882  -4.499  -0.177  1.00  0.00           O  
HETATM   32  O   UNL     1       1.702  -4.194  -0.381  1.00  0.00           O  
HETATM   33  O   UNL     1      -3.607   0.517  -0.240  1.00  0.00           O  
HETATM   34  H   UNL     1      -8.583   1.577   1.017  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.812  -2.570   0.235  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.461   2.166  -0.080  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.695  -1.959  -0.857  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.430  -0.224  -1.985  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.748   1.497  -1.657  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.004   1.095  -2.716  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.794   1.669  -3.559  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.482   0.628   1.240  1.00  0.00           H  
HETATM   43  H   UNL     1       1.619   2.035  -3.131  1.00  0.00           H  
HETATM   44  H   UNL     1       0.932   0.994   1.665  1.00  0.00           H  
HETATM   45  H   UNL     1       3.483   2.082  -1.563  1.00  0.00           H  
HETATM   46  H   UNL     1       4.323  -0.461   2.072  1.00  0.00           H  
HETATM   47  H   UNL     1       4.517   0.006  -0.830  1.00  0.00           H  
HETATM   48  H   UNL     1       5.233  -2.402  -0.879  1.00  0.00           H  
HETATM   49  H   UNL     1       5.060  -2.453   0.892  1.00  0.00           H  
HETATM   50  H   UNL     1       8.157  -0.437  -0.882  1.00  0.00           H  
HETATM   51  H   UNL     1       2.671  -1.824   0.677  1.00  0.00           H  
HETATM   52  H   UNL     1       2.844  -1.773  -1.094  1.00  0.00           H  
HETATM   53  H   UNL     1       1.593  -5.154  -0.419  1.00  0.00           H  
CONECT    1    2    2    2                                            
CONECT    2    1    1    1    3                                       
CONECT    3    2    4    6    6                                       
CONECT    4    3    5    5   34                                       
CONECT    5    4    4    8   36                                       
CONECT    6    3    3    7   35                                       
CONECT    7    6    8    8   37                                       
CONECT    8    5    7    7    9                                       
CONECT    9    8   33   38   39                                       
CONECT   10   11   13   13   40                                       
CONECT   11   10   12   12   33                                       
CONECT   12   11   11   15   42                                       
CONECT   13   10   10   14   41                                       
CONECT   14   13   15   15   17                                       
CONECT   15   12   14   14   16                                       
CONECT   16   15   19   19   44                                       
CONECT   17   14   18   18   43                                       
CONECT   18   17   17   19   45                                       
CONECT   19   16   16   18   20                                       
CONECT   20   19   21   21   22                                       
CONECT   20   22   23                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23   20   24   46                                            
CONECT   24   23   25   28   47                                       
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   50                                                 
CONECT   28   24   29   48   49                                       
CONECT   29   28   30   51   52                                       
CONECT   30   29   31   31   32                                       
CONECT   31   30   30                                                 
CONECT   32   30   53                                                 
CONECT   33    9   11                                                 
CONECT   34    4                                                      
CONECT   35    6                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   13                                                      
CONECT   42   12                                                      
CONECT   43   17                                                      
CONECT   44   16                                                      
CONECT   45   18                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   27                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
CONECT   53   32                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
