COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.421   0.848  -0.468  1.00  0.00           N  
HETATM    2  N   UNL     1      -0.530   2.100   0.088  1.00  0.00           N  
HETATM    3  N   UNL     1       3.618   1.149  -1.099  1.00  0.00           N  
HETATM    4  C   UNL     1      -6.257  -3.750  -1.270  1.00  0.00           C  
HETATM    5  C   UNL     1       4.746  -3.929   1.138  1.00  0.00           C  
HETATM    6  C   UNL     1       6.361  -2.917  -1.021  1.00  0.00           C  
HETATM    7  O   UNL     1       2.373   2.977  -1.131  1.00  0.00           O  
HETATM    8  O   UNL     1      -0.875   4.962   0.336  1.00  0.00           O  
HETATM    9  S   UNL     1      -1.170   0.144   1.767  1.00  0.00           S  
HETATM   10  C   UNL     1      -4.785  -1.151   1.517  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.841  -0.201   1.180  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.269  -2.019   0.556  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.861  -0.985  -1.092  1.00  0.00           C  
HETATM   14  C   UNL     1       3.398  -1.843   1.040  1.00  0.00           C  
HETATM   15  C   UNL     1       4.956  -0.855  -1.048  1.00  0.00           C  
HETATM   16  C   UNL     1       2.009   0.228   1.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.622   4.178  -0.596  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.779   2.986  -1.052  1.00  0.00           C  
HETATM   19  C   UNL     1       0.653   2.302   0.928  1.00  0.00           C  
HETATM   20  O   UNL     1      -5.288  -2.789  -1.694  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.389   1.098   0.363  1.00  0.00           C  
HETATM   22  C   UNL     1       4.437  -2.579   0.545  1.00  0.00           C  
HETATM   23  C   UNL     1       5.217  -2.089  -0.494  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.376  -0.115  -0.126  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.812  -1.935  -0.751  1.00  0.00           C  
HETATM   26  C   UNL     1       1.779   1.435   0.427  1.00  0.00           C  
HETATM   27  C   UNL     1       2.597   1.888  -0.630  1.00  0.00           C  
HETATM   28  C   UNL     1       3.112  -0.589   0.489  1.00  0.00           C  
HETATM   29  C   UNL     1       3.901  -0.090  -0.564  1.00  0.00           C  
HETATM   30  H   UNL     1      -2.503   1.339  -1.300  1.00  0.00           H  
HETATM   31  H   UNL     1       4.160   1.490  -1.828  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.827  -4.381  -0.493  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.132  -3.233  -0.875  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.553  -4.367  -2.118  1.00  0.00           H  
HETATM   35  H   UNL     1       4.185  -4.697   0.605  1.00  0.00           H  
HETATM   36  H   UNL     1       5.813  -4.130   1.048  1.00  0.00           H  
HETATM   37  H   UNL     1       4.462  -3.937   2.191  1.00  0.00           H  
HETATM   38  H   UNL     1       7.269  -2.677  -0.467  1.00  0.00           H  
HETATM   39  H   UNL     1       6.130  -3.975  -0.900  1.00  0.00           H  
HETATM   40  H   UNL     1       6.512  -2.697  -2.078  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.349   5.736   0.669  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.142  -1.219   2.534  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.465   0.476   1.933  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.003  -2.765   0.824  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.504  -0.918  -2.109  1.00  0.00           H  
HETATM   46  H   UNL     1       2.803  -2.226   1.855  1.00  0.00           H  
HETATM   47  H   UNL     1       5.569  -0.483  -1.856  1.00  0.00           H  
HETATM   48  H   UNL     1       1.393  -0.123   1.815  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.534   3.817  -0.119  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.882   4.791  -1.459  1.00  0.00           H  
HETATM   51  H   UNL     1       0.171   3.344  -1.448  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.313   2.438  -1.828  1.00  0.00           H  
HETATM   53  H   UNL     1       0.953   3.349   0.887  1.00  0.00           H  
HETATM   54  H   UNL     1       0.417   2.032   1.958  1.00  0.00           H  
CONECT    1   24   21   30                                            
CONECT    2   19   21   18                                            
CONECT    3   29   27   31                                            
CONECT    4   20   32   33   34                                       
CONECT    5   22   35   36   37                                       
CONECT    6   23   38   39   40                                       
CONECT    7   27   27                                                 
CONECT    8   17   41                                                 
CONECT    9   21   21                                                 
CONECT   10   11   11   12   42                                       
CONECT   11   10   10   24   43                                       
CONECT   12   10   25   25   44                                       
CONECT   13   24   24   25   45                                       
CONECT   14   22   22   28   46                                       
CONECT   15   23   23   29   47                                       
CONECT   16   28   26   26   48                                       
CONECT   17    8   18   49   50                                       
CONECT   18    2   17   51   52                                       
CONECT   19    2   26   53   54                                       
CONECT   20    4   25                                                 
CONECT   21    1    2    9    9                                       
CONECT   22    5   14   14   23                                       
CONECT   23    6   15   15   22                                       
CONECT   24    1   11   13   13                                       
CONECT   25   12   12   13   20                                       
CONECT   26   16   16   19   27                                       
CONECT   27    3    7    7   26                                       
CONECT   28   14   16   29   29                                       
CONECT   29    3   15   28   28                                       
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    8                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
