COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.546   0.246  -1.791  1.00  0.00           C  
HETATM    2  C   UNL     1       7.431  -0.420  -0.483  1.00  0.00           C  
HETATM    3  C   UNL     1       6.622  -0.494   0.632  1.00  0.00           C  
HETATM    4  C   UNL     1       5.268  -0.199   0.542  1.00  0.00           C  
HETATM    5  C   UNL     1       4.730   0.175  -0.670  1.00  0.00           C  
HETATM    6  C   UNL     1       6.891  -0.050  -1.700  1.00  0.00           C  
HETATM    7  C   UNL     1       3.275   0.525  -0.838  1.00  0.00           C  
HETATM    8  C   UNL     1       2.456  -0.005   0.338  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.134  -2.471   1.245  1.00  0.00           O  
HETATM   10  O   UNL     1      -3.497   1.901   0.023  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.635   0.694  -0.032  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.987   0.109  -0.142  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.109   0.940  -0.184  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.369   0.387  -0.287  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.522  -0.986  -0.350  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.415  -1.815  -0.309  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.149  -1.276  -0.212  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.554  -0.111   0.007  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.286   0.437   0.111  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.123  -0.290   0.159  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.079  -1.752   0.105  1.00  0.00           C  
HETATM   22  O   UNL     1       0.008  -2.319  -0.968  1.00  0.00           O  
HETATM   23  C   UNL     1       1.054   0.544   0.268  1.00  0.00           C  
HETATM   24  C   UNL     1       0.775   1.839   0.299  1.00  0.00           C  
HETATM   25  S   UNL     1      -0.955   2.108   0.189  1.00  0.00           S  
HETATM   26  C   UNL     1       3.125   0.453   1.639  1.00  0.00           C  
HETATM   27  C   UNL     1       4.441  -0.306   1.797  1.00  0.00           C  
HETATM   28  H   UNL     1       5.124   0.530  -2.744  1.00  0.00           H  
HETATM   29  H   UNL     1       8.483  -0.650  -0.404  1.00  0.00           H  
HETATM   30  H   UNL     1       7.044  -0.784   1.583  1.00  0.00           H  
HETATM   31  H   UNL     1       7.519   0.008  -2.576  1.00  0.00           H  
HETATM   32  H   UNL     1       3.170   1.609  -0.890  1.00  0.00           H  
HETATM   33  H   UNL     1       2.904   0.083  -1.763  1.00  0.00           H  
HETATM   34  H   UNL     1       2.426  -1.094   0.303  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.101  -3.434   1.159  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.990   2.012  -0.134  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.237   1.029  -0.318  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.511  -1.413  -0.430  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.542  -2.886  -0.358  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.286  -1.923  -0.180  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.664  -1.073  -0.037  1.00  0.00           H  
HETATM   42  H   UNL     1       1.513   2.624   0.377  1.00  0.00           H  
HETATM   43  H   UNL     1       3.322   1.524   1.594  1.00  0.00           H  
HETATM   44  H   UNL     1       2.472   0.235   2.484  1.00  0.00           H  
HETATM   45  H   UNL     1       4.228  -1.355   1.999  1.00  0.00           H  
HETATM   46  H   UNL     1       5.001   0.114   2.632  1.00  0.00           H  
CONECT    1    5    5    6   28                                       
CONECT    2    6    6    3   29                                       
CONECT    3    4    4    2   30                                       
CONECT    4    5   27    3    3                                       
CONECT    5    7    1    1    4                                       
CONECT    6    1    2    2   31                                       
CONECT    7    8    5   32   33                                       
CONECT    8   23    7   26   34                                       
CONECT    9   21   35                                                 
CONECT   10   11   11                                                 
CONECT   11   12   18   10   10                                       
CONECT   12   17   17   13   11                                       
CONECT   13   14   14   12   36                                       
CONECT   14   15   13   13   37                                       
CONECT   15   16   16   14   38                                       
CONECT   16   15   15   17   39                                       
CONECT   17   16   12   12   40                                       
CONECT   18   11   19   41                                            
CONECT   19   18   20   20   25                                       
CONECT   20   21   19   19   23                                       
CONECT   21   22   22    9   20                                       
CONECT   22   21   21                                                 
CONECT   23   20   24   24    8                                       
CONECT   24   25   23   23   42                                       
CONECT   25   19   24                                                 
CONECT   26    8   27   43   44                                       
CONECT   27   26    4   45   46                                       
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   24                                                      
CONECT   43   26                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
