COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       6.323  -0.232   0.281  1.00  0.00           N  
HETATM    2  C   UNL     1       7.391   0.282   1.148  1.00  0.00           C  
HETATM    3  C   UNL     1       5.028  -0.214   0.975  1.00  0.00           C  
HETATM    4  N   UNL     1      -5.264   0.479  -0.077  1.00  0.00           N  
HETATM    5  C   UNL     1       3.942  -0.755   0.042  1.00  0.00           C  
HETATM    6  O   UNL     1      -5.981  -2.707  -0.375  1.00  0.00           O  
HETATM    7  C   UNL     1       8.057   2.376  -0.777  1.00  0.00           C  
HETATM    8  C   UNL     1       9.605  -0.775   0.622  1.00  0.00           C  
HETATM    9  C   UNL     1       8.701   0.249   0.403  1.00  0.00           C  
HETATM   10  N   UNL     1      -7.525   0.169   0.914  1.00  0.00           N  
HETATM   11  C   UNL     1      11.085   0.119  -0.901  1.00  0.00           C  
HETATM   12  C   UNL     1      10.232   1.172  -1.171  1.00  0.00           C  
HETATM   13  C   UNL     1       9.016   1.243  -0.510  1.00  0.00           C  
HETATM   14  N   UNL     1      -8.967   1.960   0.657  1.00  0.00           N  
HETATM   15  O   UNL     1      -3.812  -4.018  -0.623  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.611  -2.648  -0.974  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.927  -1.852  -0.824  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.601  -0.786   0.246  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.549   0.801   0.264  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.693   0.745   1.097  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.057   2.671  -0.003  1.00  0.00           C  
HETATM   22  N   UNL     1      -8.348   3.943  -0.462  1.00  0.00           N  
HETATM   23  C   UNL     1      -6.796   2.098  -0.223  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.563   2.528  -0.880  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.686   1.518  -0.759  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.166  -0.632   0.188  1.00  0.00           O  
HETATM   27  C   UNL     1      -2.646  -1.969   0.022  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.230  -1.922  -0.555  1.00  0.00           C  
HETATM   29  S   UNL     1      -0.091  -1.256   0.689  1.00  0.00           S  
HETATM   30  C   UNL     1       1.508  -1.278  -0.167  1.00  0.00           C  
HETATM   31  C   UNL     1       2.594  -0.737   0.765  1.00  0.00           C  
HETATM   32  C   UNL     1       8.267   3.478   0.264  1.00  0.00           C  
HETATM   33  N   UNL     1      10.753  -0.811  -0.026  1.00  0.00           N  
HETATM   34  H   UNL     1       6.542  -1.159  -0.053  1.00  0.00           H  
HETATM   35  H   UNL     1       7.163   1.308   1.436  1.00  0.00           H  
HETATM   36  H   UNL     1       7.465  -0.339   2.041  1.00  0.00           H  
HETATM   37  H   UNL     1       5.085  -0.838   1.867  1.00  0.00           H  
HETATM   38  H   UNL     1       4.784   0.808   1.262  1.00  0.00           H  
HETATM   39  H   UNL     1       3.885  -0.131  -0.849  1.00  0.00           H  
HETATM   40  H   UNL     1       4.186  -1.778  -0.245  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.186  -3.431  -0.982  1.00  0.00           H  
HETATM   42  H   UNL     1       8.239   2.778  -1.773  1.00  0.00           H  
HETATM   43  H   UNL     1       7.034   2.008  -0.715  1.00  0.00           H  
HETATM   44  H   UNL     1       9.370  -1.551   1.335  1.00  0.00           H  
HETATM   45  H   UNL     1      12.034   0.055  -1.412  1.00  0.00           H  
HETATM   46  H   UNL     1      10.510   1.930  -1.889  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.456  -4.477  -1.180  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.231  -2.568  -1.993  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.197  -1.378  -1.768  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.905  -1.134   1.233  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.461   0.202   1.629  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.224   4.328  -0.303  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.675   4.451  -0.942  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.391   3.476  -1.369  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.676   1.524  -1.142  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.649  -2.499   0.975  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.917  -2.928  -0.833  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.219  -1.281  -1.438  1.00  0.00           H  
HETATM   59  H   UNL     1       1.752  -2.301  -0.455  1.00  0.00           H  
HETATM   60  H   UNL     1       1.451  -0.654  -1.059  1.00  0.00           H  
HETATM   61  H   UNL     1       2.651  -1.361   1.657  1.00  0.00           H  
HETATM   62  H   UNL     1       2.349   0.286   1.052  1.00  0.00           H  
HETATM   63  H   UNL     1       8.086   3.076   1.261  1.00  0.00           H  
HETATM   64  H   UNL     1       9.292   3.846   0.202  1.00  0.00           H  
HETATM   65  H   UNL     1       7.575   4.297   0.071  1.00  0.00           H  
CONECT    1    3    2   34                                            
CONECT    2    1    9   35   36                                       
CONECT    3    5    1   37   38                                       
CONECT    4   18   25   19                                            
CONECT    5   31    3   39   40                                       
CONECT    6   17   41                                                 
CONECT    7   13   32   42   43                                       
CONECT    8   33   33    9   44                                       
CONECT    9    2    8   13   13                                       
CONECT   10   19   19   20                                            
CONECT   11   33   12   12   45                                       
CONECT   12   11   11   13   46                                       
CONECT   13    9    9   12    7                                       
CONECT   14   20   20   21                                            
CONECT   15   16   47                                                 
CONECT   16   15   17   27   48                                       
CONECT   17    6   16   18   49                                       
CONECT   18   17   26    4   50                                       
CONECT   19    4   10   10   23                                       
CONECT   20   10   14   14   51                                       
CONECT   21   23   23   14   22                                       
CONECT   22   21   52   53                                            
CONECT   23   19   24   21   21                                       
CONECT   24   25   25   23   54                                       
CONECT   25    4   24   24   55                                       
CONECT   26   27   18                                                 
CONECT   27   16   28   26   56                                       
CONECT   28   27   29   57   58                                       
CONECT   29   30   28                                                 
CONECT   30   31   29   59   60                                       
CONECT   31   30    5   61   62                                       
CONECT   32    7   63   64   65                                       
CONECT   33    8    8   11                                            
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   20                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
CONECT   58   28                                                      
CONECT   59   30                                                      
CONECT   60   30                                                      
CONECT   61   31                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
