COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.330  -0.228   1.535  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.881   0.224   0.500  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.604  -0.031   0.151  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.758  -0.854   1.019  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.388  -0.986   0.406  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.283  -0.189   0.706  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.227  -0.631  -0.065  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.688  -1.675  -0.816  1.00  0.00           N  
HETATM    9  N   UNL     1      -2.036  -1.871  -0.492  1.00  0.00           N  
HETATM   10  C   UNL     1       1.137  -0.082  -0.077  1.00  0.00           C  
HETATM   11  S   UNL     1       1.574   1.612   0.134  1.00  0.00           S  
HETATM   12  C   UNL     1       3.276   1.196  -0.036  1.00  0.00           C  
HETATM   13  N   UNL     1       3.395  -0.088  -0.225  1.00  0.00           N  
HETATM   14  C   UNL     1       2.293  -0.798  -0.249  1.00  0.00           C  
HETATM   15  N   UNL     1       2.296  -2.183  -0.439  1.00  0.00           N  
HETATM   16  C   UNL     1       3.665  -2.690  -0.595  1.00  0.00           C  
HETATM   17  C   UNL     1       3.623  -4.179  -0.946  1.00  0.00           C  
HETATM   18  C   UNL     1       2.901  -4.940   0.170  1.00  0.00           C  
HETATM   19  C   UNL     1       1.495  -4.361   0.345  1.00  0.00           C  
HETATM   20  C   UNL     1       1.599  -2.867   0.658  1.00  0.00           C  
HETATM   21  C   UNL     1       4.398   2.156   0.027  1.00  0.00           C  
HETATM   22  C   UNL     1       4.158   3.519   0.242  1.00  0.00           C  
HETATM   23  C   UNL     1       5.243   4.376   0.291  1.00  0.00           C  
HETATM   24  C   UNL     1       6.518   3.864   0.129  1.00  0.00           C  
HETATM   25  N   UNL     1       6.714   2.575  -0.072  1.00  0.00           N  
HETATM   26  C   UNL     1       5.715   1.718  -0.122  1.00  0.00           C  
HETATM   27  O   UNL     1      -6.660   0.975  -0.301  1.00  0.00           O  
HETATM   28  C   UNL     1      -8.026   1.204   0.135  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.724   2.038  -0.857  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.281   2.704  -1.647  1.00  0.00           C  
HETATM   31  H   UNL     1      -4.246   0.329  -0.675  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.674  -0.381   1.998  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.203  -1.842   1.130  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.259   0.626   1.414  1.00  0.00           H  
HETATM   35  H   UNL     1       4.166  -2.143  -1.395  1.00  0.00           H  
HETATM   36  H   UNL     1       4.213  -2.552   0.337  1.00  0.00           H  
HETATM   37  H   UNL     1       3.088  -4.317  -1.885  1.00  0.00           H  
HETATM   38  H   UNL     1       4.640  -4.558  -1.047  1.00  0.00           H  
HETATM   39  H   UNL     1       2.831  -5.995  -0.095  1.00  0.00           H  
HETATM   40  H   UNL     1       3.458  -4.836   1.101  1.00  0.00           H  
HETATM   41  H   UNL     1       0.926  -4.502  -0.574  1.00  0.00           H  
HETATM   42  H   UNL     1       0.991  -4.871   1.167  1.00  0.00           H  
HETATM   43  H   UNL     1       2.156  -2.728   1.584  1.00  0.00           H  
HETATM   44  H   UNL     1       0.599  -2.449   0.769  1.00  0.00           H  
HETATM   45  H   UNL     1       3.151   3.891   0.364  1.00  0.00           H  
HETATM   46  H   UNL     1       5.096   5.433   0.455  1.00  0.00           H  
HETATM   47  H   UNL     1       7.367   4.530   0.168  1.00  0.00           H  
HETATM   48  H   UNL     1       5.916   0.670  -0.283  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.541   0.248   0.232  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.020   1.713   1.098  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.779   3.299  -2.355  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.173  -2.190  -1.457  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   27    3                                       
CONECT    3    2    4   31                                            
CONECT    4    3    5   32   33                                       
CONECT    5    4    9    9    6                                       
CONECT    6    5    7    7   34                                       
CONECT    7    6    6    8   10                                       
CONECT    8    7    9   52                                            
CONECT    9    5    5    8                                            
CONECT   10    7   14   14   11                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   13   21                                       
CONECT   13   12   12   14                                            
CONECT   14   10   10   13   15                                       
CONECT   15   14   20   16                                            
CONECT   16   15   17   35   36                                       
CONECT   17   16   18   37   38                                       
CONECT   18   17   19   39   40                                       
CONECT   19   18   20   41   42                                       
CONECT   20   15   19   43   44                                       
CONECT   21   12   26   26   22                                       
CONECT   22   21   23   23   45                                       
CONECT   23   22   22   24   46                                       
CONECT   24   23   25   25   47                                       
CONECT   25   24   24   26                                            
CONECT   26   21   21   25   48                                       
CONECT   27    2   28                                                 
CONECT   28   27   29   49   50                                       
CONECT   29   28   30   30   30                                       
CONECT   30   29   29   29   51                                       
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   26                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
CONECT   51   30                                                      
CONECT   52    8                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
