COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.845   0.207   0.597  1.00  0.00           C  
HETATM    2  C   UNL     1       2.372   1.484   0.556  1.00  0.00           C  
HETATM    3  C   UNL     1       3.730   1.657   0.361  1.00  0.00           C  
HETATM    4  C   UNL     1       4.553   0.561   0.209  1.00  0.00           C  
HETATM    5  C   UNL     1       4.043  -0.728   0.275  1.00  0.00           C  
HETATM    6  C   UNL     1       2.667  -0.891   0.464  1.00  0.00           C  
HETATM    7  C   UNL     1       4.016  -3.038  -0.179  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.014   0.724  -0.050  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.636   0.886  -0.231  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.815  -0.211  -0.370  1.00  0.00           C  
HETATM   11  N   UNL     1       4.823  -1.873   0.207  1.00  0.00           N  
HETATM   12  C   UNL     1       6.042  -1.796  -0.588  1.00  0.00           C  
HETATM   13  N   UNL     1       6.918  -0.739  -0.039  1.00  0.00           N  
HETATM   14  S   UNL     1       6.278   0.803  -0.104  1.00  0.00           S  
HETATM   15  O   UNL     1       6.395   1.243  -1.450  1.00  0.00           O  
HETATM   16  O   UNL     1       6.805   1.517   1.006  1.00  0.00           O  
HETATM   17  C   UNL     1       0.363   0.013   0.795  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.333  -0.018  -0.567  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.530  -0.563  -0.037  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.342  -1.489  -0.328  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.704  -1.661  -0.160  1.00  0.00           C  
HETATM   22  N   UNL     1      -4.780   1.869   0.113  1.00  0.00           N  
HETATM   23  C   UNL     1      -6.164   1.811  -0.338  1.00  0.00           C  
HETATM   24  N   UNL     1      -6.871   0.734   0.388  1.00  0.00           N  
HETATM   25  S   UNL     1      -6.278  -0.803   0.106  1.00  0.00           S  
HETATM   26  O   UNL     1      -6.499  -1.554   1.292  1.00  0.00           O  
HETATM   27  O   UNL     1      -6.747  -1.198  -1.175  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.095   3.044  -0.441  1.00  0.00           C  
HETATM   29  H   UNL     1       1.727   2.342   0.674  1.00  0.00           H  
HETATM   30  H   UNL     1       4.148   2.653   0.328  1.00  0.00           H  
HETATM   31  H   UNL     1       2.245  -1.884   0.498  1.00  0.00           H  
HETATM   32  H   UNL     1       3.469  -2.813  -1.095  1.00  0.00           H  
HETATM   33  H   UNL     1       4.670  -3.893  -0.348  1.00  0.00           H  
HETATM   34  H   UNL     1       3.311  -3.272   0.618  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.214   1.879  -0.263  1.00  0.00           H  
HETATM   36  H   UNL     1       6.562  -2.753  -0.551  1.00  0.00           H  
HETATM   37  H   UNL     1       5.789  -1.558  -1.621  1.00  0.00           H  
HETATM   38  H   UNL     1       7.795  -0.926   0.330  1.00  0.00           H  
HETATM   39  H   UNL     1       0.186  -0.928   1.315  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.035   0.837   1.388  1.00  0.00           H  
HETATM   41  H   UNL     1       0.065  -0.841  -1.160  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.156   0.924  -1.087  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.694  -2.347  -0.426  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.122  -2.656  -0.125  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.652   2.765  -0.140  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.189   1.605  -1.408  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.619   0.907   0.981  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.803   2.843  -1.471  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.766   3.902  -0.414  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.206   3.260   0.153  1.00  0.00           H  
CONECT    1    2    2    6   17                                       
CONECT    2    3    1    1   29                                       
CONECT    3    4    4    2   30                                       
CONECT    4   14    3    3    5                                       
CONECT    5    4   11    6    6                                       
CONECT    6    5    5    1   31                                       
CONECT    7   11   32   33   34                                       
CONECT    8   19   22    9    9                                       
CONECT    9    8    8   10   35                                       
CONECT   10   20   20    9   18                                       
CONECT   11   12    5    7                                            
CONECT   12   13   11   36   37                                       
CONECT   13   14   12   38                                            
CONECT   14   16   16   13   15                                       
CONECT   14   15    4                                                 
CONECT   15   14   14                                                 
CONECT   16   14   14                                                 
CONECT   17    1   18   39   40                                       
CONECT   18   10   17   41   42                                       
CONECT   19   25   21   21    8                                       
CONECT   20   21   10   10   43                                       
CONECT   21   19   19   20   44                                       
CONECT   22   23    8   28                                            
CONECT   23   24   22   45   46                                       
CONECT   24   25   23   47                                            
CONECT   25   26   26   24   27                                       
CONECT   25   27   19                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   22   48   49   50                                       
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    9                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
