COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       8.802   0.929  -0.775  1.00  0.00           O  
HETATM    2  C   UNL     1       8.011   1.361   0.028  1.00  0.00           C  
HETATM    3  C   UNL     1       0.336  -1.038  -1.439  1.00  0.00           C  
HETATM    4  C   UNL     1       3.733  -1.979  -0.144  1.00  0.00           C  
HETATM    5  C   UNL     1       1.608  -1.568  -1.377  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.493  -0.779   0.343  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.743   1.202  -0.272  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.313  -0.149  -0.013  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.345   1.156  -0.499  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.185  -0.352  -0.356  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.573   0.231  -0.434  1.00  0.00           C  
HETATM   12  C   UNL     1       0.563  -0.199   0.798  1.00  0.00           C  
HETATM   13  C   UNL     1       2.369  -1.413  -0.217  1.00  0.00           C  
HETATM   14  C   UNL     1       1.834  -0.729   0.876  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.526   1.821  -0.627  1.00  0.00           C  
HETATM   16  C   UNL     1       9.108   3.464  -0.203  1.00  0.00           C  
HETATM   17  O   UNL     1       8.068   2.650   0.401  1.00  0.00           O  
HETATM   18  C   UNL     1       6.955   0.456   0.608  1.00  0.00           C  
HETATM   19  C   UNL     1       7.105  -0.947   0.016  1.00  0.00           C  
HETATM   20  C   UNL     1       6.052  -1.873   0.633  1.00  0.00           C  
HETATM   21  C   UNL     1       5.568   1.008   0.270  1.00  0.00           C  
HETATM   22  C   UNL     1       4.497   0.105   0.890  1.00  0.00           C  
HETATM   23  N   UNL     1       4.724  -1.275   0.438  1.00  0.00           N  
HETATM   24  O   UNL     1       3.960  -3.079  -0.608  1.00  0.00           O  
HETATM   25  S   UNL     1      -2.776  -0.995   0.148  1.00  0.00           S  
HETATM   26  C   UNL     1      -6.707  -0.110   0.210  1.00  0.00           C  
HETATM   27  S   UNL     1      -8.356  -0.616   0.569  1.00  0.00           S  
HETATM   28  C   UNL     1      -8.965   0.950   0.053  1.00  0.00           C  
HETATM   29  N   UNL     1     -10.296   1.318   0.055  1.00  0.00           N  
HETATM   30  N   UNL     1      -7.994   1.706  -0.328  1.00  0.00           N  
HETATM   31  H   UNL     1      -0.253  -1.153  -2.337  1.00  0.00           H  
HETATM   32  H   UNL     1       2.013  -2.103  -2.223  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.473  -1.791   0.719  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.423   1.646  -0.776  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.629   1.121   0.193  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.797   0.498  -1.466  1.00  0.00           H  
HETATM   37  H   UNL     1       0.150   0.337   1.640  1.00  0.00           H  
HETATM   38  H   UNL     1       2.415  -0.613   1.778  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.531   2.833  -1.006  1.00  0.00           H  
HETATM   40  H   UNL     1      10.084   3.046   0.040  1.00  0.00           H  
HETATM   41  H   UNL     1       8.976   3.478  -1.285  1.00  0.00           H  
HETATM   42  H   UNL     1       9.043   4.482   0.184  1.00  0.00           H  
HETATM   43  H   UNL     1       7.072   0.408   1.691  1.00  0.00           H  
HETATM   44  H   UNL     1       6.963  -0.904  -1.064  1.00  0.00           H  
HETATM   45  H   UNL     1       8.101  -1.330   0.237  1.00  0.00           H  
HETATM   46  H   UNL     1       6.090  -2.846   0.145  1.00  0.00           H  
HETATM   47  H   UNL     1       6.249  -1.991   1.699  1.00  0.00           H  
HETATM   48  H   UNL     1       5.470   2.017   0.671  1.00  0.00           H  
HETATM   49  H   UNL     1       5.440   1.033  -0.813  1.00  0.00           H  
HETATM   50  H   UNL     1       4.566   0.150   1.977  1.00  0.00           H  
HETATM   51  H   UNL     1       3.510   0.436   0.570  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.972   0.692   0.358  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.555   2.204  -0.245  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   17   18    1    1                                       
CONECT    3    5   10   10   31                                       
CONECT    4   24   24   23   13                                       
CONECT    5   13   13    3   32                                       
CONECT    6    8    8   26   33                                       
CONECT    7   15   30   26   26                                       
CONECT    8    9    6    6   25                                       
CONECT    9   15   15    8   34                                       
CONECT   10    3    3   12   11                                       
CONECT   11   10   25   35   36                                       
CONECT   12   14   14   10   37                                       
CONECT   13    4    5    5   14                                       
CONECT   14   13   12   12   38                                       
CONECT   15    9    9    7   39                                       
CONECT   16   17   40   41   42                                       
CONECT   17    2   16                                                 
CONECT   18   21    2   19   43                                       
CONECT   19   18   20   44   45                                       
CONECT   20   23   19   46   47                                       
CONECT   21   22   18   48   49                                       
CONECT   22   21   23   50   51                                       
CONECT   23   22    4   20                                            
CONECT   24    4    4                                                 
CONECT   25   11    8                                                 
CONECT   26    7    7    6   27                                       
CONECT   27   28   26                                                 
CONECT   28   30   30   29   27                                       
CONECT   29   28   52   53                                            
CONECT   30    7   28   28                                            
CONECT   31    3                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    9                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
