COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.519  -0.064  -0.124  1.00  0.00           C  
HETATM    2  C   UNL     1       4.119   0.497  -0.116  1.00  0.00           C  
HETATM    3  C   UNL     1       3.947   1.867  -0.134  1.00  0.00           C  
HETATM    4  C   UNL     1       2.682   2.435  -0.115  1.00  0.00           C  
HETATM    5  C   UNL     1       2.603   3.940  -0.157  1.00  0.00           C  
HETATM    6  C   UNL     1       1.549   1.612  -0.066  1.00  0.00           C  
HETATM    7  C   UNL     1       1.730   0.230  -0.062  1.00  0.00           C  
HETATM    8  C   UNL     1       3.003  -0.331  -0.098  1.00  0.00           C  
HETATM    9  C   UNL     1       3.097  -1.807  -0.158  1.00  0.00           C  
HETATM   10  O   UNL     1       4.036  -2.411  -0.640  1.00  0.00           O  
HETATM   11  N   UNL     1       2.041  -2.505   0.402  1.00  0.00           N  
HETATM   12  C   UNL     1       2.177  -3.977   0.292  1.00  0.00           C  
HETATM   13  C   UNL     1       0.774  -4.569   0.488  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.239  -3.645  -0.194  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.058  -3.036   0.812  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.224  -2.507   0.358  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.378  -1.130   0.352  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.247  -3.333  -0.076  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.422  -2.770  -0.530  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.576  -1.406  -0.561  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.539  -0.559  -0.126  1.00  0.00           C  
HETATM   22  S   UNL     1      -3.780   1.159  -0.250  1.00  0.00           S  
HETATM   23  C   UNL     1      -2.230   1.932  -0.083  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.285   3.272   0.121  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.968   1.356  -0.191  1.00  0.00           C  
HETATM   26  C   UNL     1       0.170   2.154  -0.006  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.013   3.446   0.238  1.00  0.00           N  
HETATM   28  C   UNL     1      -1.206   3.993   0.285  1.00  0.00           C  
HETATM   29  N   UNL     1      -1.324   5.354   0.511  1.00  0.00           N  
HETATM   30  H   UNL     1       5.868  -0.183   0.902  1.00  0.00           H  
HETATM   31  H   UNL     1       5.520  -1.032  -0.623  1.00  0.00           H  
HETATM   32  H   UNL     1       6.181   0.620  -0.655  1.00  0.00           H  
HETATM   33  H   UNL     1       4.813   2.513  -0.165  1.00  0.00           H  
HETATM   34  H   UNL     1       2.554   4.272  -1.194  1.00  0.00           H  
HETATM   35  H   UNL     1       1.710   4.272   0.373  1.00  0.00           H  
HETATM   36  H   UNL     1       3.487   4.364   0.319  1.00  0.00           H  
HETATM   37  H   UNL     1       0.863  -0.414  -0.030  1.00  0.00           H  
HETATM   38  H   UNL     1       1.294  -2.073   0.833  1.00  0.00           H  
HETATM   39  H   UNL     1       2.566  -4.244  -0.692  1.00  0.00           H  
HETATM   40  H   UNL     1       2.853  -4.345   1.067  1.00  0.00           H  
HETATM   41  H   UNL     1       0.726  -5.563   0.036  1.00  0.00           H  
HETATM   42  H   UNL     1       0.546  -4.646   1.552  1.00  0.00           H  
HETATM   43  H   UNL     1       0.278  -2.877  -0.765  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.868  -4.231  -0.867  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.598  -0.519   0.781  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.128  -4.406  -0.059  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.227  -3.409  -0.863  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.498  -0.972  -0.918  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.847   0.319  -0.464  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.201   5.765   0.548  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.528   5.895   0.634  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2    1    3    3    8                                       
CONECT    3    2    2    4   33                                       
CONECT    4    3    5    6    6                                       
CONECT    5    4   34   35   36                                       
CONECT    6    4    4    7   26                                       
CONECT    7    6    8    8   37                                       
CONECT    8    2    7    7    9                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   38                                            
CONECT   12   11   13   39   40                                       
CONECT   13   12   14   41   42                                       
CONECT   14   13   15   43   44                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   17   18                                       
CONECT   17   16   16   21   45                                       
CONECT   18   16   19   19   46                                       
CONECT   19   18   18   20   47                                       
CONECT   20   19   21   21   48                                       
CONECT   21   17   20   20   22                                       
CONECT   22   21   23                                                 
CONECT   23   22   24   24   25                                       
CONECT   24   23   23   28                                            
CONECT   25   23   26   26   49                                       
CONECT   26    6   25   25   27                                       
CONECT   27   26   28   28                                            
CONECT   28   24   27   27   29                                       
CONECT   29   28   50   51                                            
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   25                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
