COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.253  -3.069   0.038  1.00  0.00           C  
HETATM    2  N   UNL     1       1.844  -2.026  -0.254  1.00  0.00           N  
HETATM    3  O   UNL     1      -5.834   1.374  -0.645  1.00  0.00           O  
HETATM    4  S   UNL     1       3.225   3.095  -0.006  1.00  0.00           S  
HETATM    5  C   UNL     1       1.145  -3.151  -0.113  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.076  -0.728  -0.110  1.00  0.00           N  
HETATM    7  O   UNL     1       4.205   3.917  -0.627  1.00  0.00           O  
HETATM    8  C   UNL     1       1.238  -0.851  -0.252  1.00  0.00           C  
HETATM    9  N   UNL     1       0.281  -5.206   0.099  1.00  0.00           N  
HETATM   10  O   UNL     1       2.532   3.578   1.137  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.853  -1.795   0.039  1.00  0.00           C  
HETATM   12  N   UNL     1       1.464  -4.476  -0.074  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.733  -4.391   0.166  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.220  -1.658   0.191  1.00  0.00           N  
HETATM   15  C   UNL     1       2.811  -5.039  -0.194  1.00  0.00           C  
HETATM   16  N   UNL     1       2.001   0.293  -0.403  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.787  -0.384   0.299  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.045  -0.136  -0.234  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.604   1.127  -0.125  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.905   2.141   0.517  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.653   1.892   1.046  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.095   0.632   0.945  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.349   2.699  -0.496  1.00  0.00           C  
HETATM   24  C   UNL     1       1.156   1.455  -0.686  1.00  0.00           C  
HETATM   25  C   UNL     1       2.007   2.593  -1.258  1.00  0.00           C  
HETATM   26  C   UNL     1       3.982   1.494   0.405  1.00  0.00           C  
HETATM   27  C   UNL     1       2.870   0.502   0.757  1.00  0.00           C  
HETATM   28  H   UNL     1      -1.765  -4.677   0.298  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.786  -2.445   0.222  1.00  0.00           H  
HETATM   30  H   UNL     1       3.259  -5.121   0.796  1.00  0.00           H  
HETATM   31  H   UNL     1       2.752  -6.028  -0.649  1.00  0.00           H  
HETATM   32  H   UNL     1       3.423  -4.387  -0.817  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.587  -0.926  -0.733  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.341   3.126   0.602  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.112   2.683   1.544  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.117   0.441   1.359  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.336   2.759  -0.955  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.425   2.941   0.564  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.677   3.406  -0.983  1.00  0.00           H  
HETATM   40  H   UNL     1       0.389   1.177  -1.409  1.00  0.00           H  
HETATM   41  H   UNL     1       0.680   1.789   0.236  1.00  0.00           H  
HETATM   42  H   UNL     1       1.366   3.439  -1.506  1.00  0.00           H  
HETATM   43  H   UNL     1       2.524   2.248  -2.154  1.00  0.00           H  
HETATM   44  H   UNL     1       4.544   1.124  -0.453  1.00  0.00           H  
HETATM   45  H   UNL     1       4.650   1.613   1.258  1.00  0.00           H  
HETATM   46  H   UNL     1       2.280   0.898   1.584  1.00  0.00           H  
HETATM   47  H   UNL     1       3.313  -0.449   1.053  1.00  0.00           H  
CONECT    1   11   11   13    5                                       
CONECT    2    8    5    5                                            
CONECT    3   23   19                                                 
CONECT    4   10   10    7    7                                       
CONECT    4   26   25                                                 
CONECT    5    1    2    2   12                                       
CONECT    6   11    8    8                                            
CONECT    7    4    4                                                 
CONECT    8    2    6    6   16                                       
CONECT    9   13   13   12                                            
CONECT   10    4    4                                                 
CONECT   11    1    1    6   14                                       
CONECT   12    5    9   15                                            
CONECT   13    1    9    9   28                                       
CONECT   14   11   17   29                                            
CONECT   15   12   30   31   32                                       
CONECT   16    8   27   24                                            
CONECT   17   14   22   22   18                                       
CONECT   18   17   19   19   33                                       
CONECT   19    3   18   18   20                                       
CONECT   20   19   21   21   34                                       
CONECT   21   20   20   22   35                                       
CONECT   22   17   17   21   36                                       
CONECT   23    3   37   38   39                                       
CONECT   24   16   25   40   41                                       
CONECT   25    4   24   42   43                                       
CONECT   26    4   27   44   45                                       
CONECT   27   16   26   46   47                                       
CONECT   28   13                                                      
CONECT   29   14                                                      
CONECT   30   15                                                      
CONECT   31   15                                                      
CONECT   32   15                                                      
CONECT   33   18                                                      
CONECT   34   20                                                      
CONECT   35   21                                                      
CONECT   36   22                                                      
CONECT   37   23                                                      
CONECT   38   23                                                      
CONECT   39   23                                                      
CONECT   40   24                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
