COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.351  -1.832  -1.388  1.00  0.00           O  
HETATM    2  C   UNL     1       6.028  -0.449   0.929  1.00  0.00           C  
HETATM    3  C   UNL     1       5.263  -1.548   1.284  1.00  0.00           C  
HETATM    4  C   UNL     1       4.099  -1.832   0.595  1.00  0.00           C  
HETATM    5  C   UNL     1       3.695  -1.021  -0.449  1.00  0.00           C  
HETATM    6  C   UNL     1       4.453   0.077  -0.809  1.00  0.00           C  
HETATM    7  C   UNL     1       5.625   0.364  -0.127  1.00  0.00           C  
HETATM    8  C   UNL     1       7.295   1.387   0.945  1.00  0.00           C  
HETATM    9  C   UNL     1       2.425  -1.336  -1.198  1.00  0.00           C  
HETATM   10  C   UNL     1       1.266  -0.635  -0.537  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.794  -1.106  -0.509  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.953  -0.405   0.151  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.342  -0.737   1.440  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.410  -0.073   2.013  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.710   1.211   0.124  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.652   0.591  -0.513  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.206   1.340  -0.928  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.105  -0.091  -0.396  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.380  -0.832  -0.701  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.554  -0.385  -0.212  1.00  0.00           N  
HETATM   21  N   UNL     1      -8.056   0.866   1.349  1.00  0.00           N  
HETATM   22  N   UNL     1       0.022  -0.772  -1.038  1.00  0.00           N  
HETATM   23  O   UNL     1       6.538   1.367  -0.280  1.00  0.00           O  
HETATM   24  O   UNL     1       7.196   0.043   1.437  1.00  0.00           O  
HETATM   25  O   UNL     1       1.453   0.052   0.444  1.00  0.00           O  
HETATM   26  S   UNL     1       0.329   2.233  -0.560  1.00  0.00           S  
HETATM   27  H   UNL     1       5.576  -2.183   2.100  1.00  0.00           H  
HETATM   28  H   UNL     1       3.504  -2.689   0.873  1.00  0.00           H  
HETATM   29  H   UNL     1       4.136   0.708  -1.626  1.00  0.00           H  
HETATM   30  H   UNL     1       8.335   1.651   0.756  1.00  0.00           H  
HETATM   31  H   UNL     1       6.846   2.087   1.651  1.00  0.00           H  
HETATM   32  H   UNL     1       2.517  -0.994  -2.229  1.00  0.00           H  
HETATM   33  H   UNL     1       2.254  -2.412  -1.186  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.722  -2.125  -0.130  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.951  -1.130  -1.587  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.818  -1.505   1.989  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.719  -0.325   3.017  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.259   1.988  -0.386  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.374   0.878  -1.516  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.363   1.316  -2.007  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.045   1.847  -0.451  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.948  -0.067   0.683  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.577   0.414   0.337  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.127  -1.322  -1.823  1.00  0.00           H  
HETATM   45  H   UNL     1       0.101   3.453  -1.077  1.00  0.00           H  
CONECT    1   19   19                                                 
CONECT    2    7    7    3   24                                       
CONECT    3    4    4    2   27                                       
CONECT    4    5    3    3   28                                       
CONECT    5    9    6    6    4                                       
CONECT    6    5    5    7   29                                       
CONECT    7    6   23    2    2                                       
CONECT    8   23   24   30   31                                       
CONECT    9   10    5   32   33                                       
CONECT   10   22   25   25    9                                       
CONECT   11   12   20   34   35                                       
CONECT   12   13   11   16   16                                       
CONECT   13   14   14   12   36                                       
CONECT   14   13   13   21   37                                       
CONECT   15   21   21   16   38                                       
CONECT   16   12   12   15   39                                       
CONECT   17   18   26   40   41                                       
CONECT   18   19   22   17   42                                       
CONECT   19    1    1   20   18                                       
CONECT   20   11   19   43                                            
CONECT   21   14   15   15                                            
CONECT   22   18   10   44                                            
CONECT   23    7    8                                                 
CONECT   24    2    8                                                 
CONECT   25   10   10                                                 
CONECT   26   17   45                                                 
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   20                                                      
CONECT   44   22                                                      
CONECT   45   26                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
