COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.743  -2.581  -0.397  1.00  0.00           O  
HETATM    2  C   UNL     1       7.528  -1.444  -0.033  1.00  0.00           C  
HETATM    3  C   UNL     1       9.017  -1.745  -0.219  1.00  0.00           C  
HETATM    4  C   UNL     1       9.291  -2.073  -1.688  1.00  0.00           C  
HETATM    5  C   UNL     1      10.757  -2.370  -1.871  1.00  0.00           C  
HETATM    6  O   UNL     1      11.232  -2.686  -3.086  1.00  0.00           O  
HETATM    7  O   UNL     1      11.506  -2.323  -0.924  1.00  0.00           O  
HETATM    8  O   UNL     1       7.260  -1.066   1.320  1.00  0.00           O  
HETATM    9  C   UNL     1       6.750   0.238   1.552  1.00  0.00           C  
HETATM   10  C   UNL     1       6.009   0.772   0.281  1.00  0.00           C  
HETATM   11  S   UNL     1       7.042   0.014  -1.037  1.00  0.00           S  
HETATM   12  C   UNL     1       5.588   0.144   2.571  1.00  0.00           C  
HETATM   13  O   UNL     1       5.709  -1.043   3.359  1.00  0.00           O  
HETATM   14  C   UNL     1       4.318   0.084   1.702  1.00  0.00           C  
HETATM   15  O   UNL     1       4.739   0.099   0.328  1.00  0.00           O  
HETATM   16  C   UNL     1       3.434   1.300   1.987  1.00  0.00           C  
HETATM   17  O   UNL     1       2.208   1.178   1.264  1.00  0.00           O  
HETATM   18  P   UNL     1       1.038   2.282   1.330  1.00  0.00           P  
HETATM   19  O   UNL     1       0.438   2.341   2.823  1.00  0.00           O  
HETATM   20  O   UNL     1       1.589   3.607   0.967  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.132   1.886   0.297  1.00  0.00           O  
HETATM   22  P   UNL     1      -1.323   2.705  -0.411  1.00  0.00           P  
HETATM   23  O   UNL     1      -1.914   3.654   0.559  1.00  0.00           O  
HETATM   24  O   UNL     1      -0.739   3.521  -1.671  1.00  0.00           O  
HETATM   25  O   UNL     1      -2.456   1.678  -0.916  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.692   2.104  -1.492  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.532   0.879  -1.859  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.998   0.213  -0.664  1.00  0.00           O  
HETATM   29  C   UNL     1      -6.134  -0.573  -1.086  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.896   0.333  -2.077  1.00  0.00           C  
HETATM   31  O   UNL     1      -7.432  -0.440  -3.153  1.00  0.00           O  
HETATM   32  C   UNL     1      -5.819   1.311  -2.597  1.00  0.00           C  
HETATM   33  O   UNL     1      -5.655   1.171  -4.010  1.00  0.00           O  
HETATM   34  N   UNL     1      -6.982  -0.900   0.063  1.00  0.00           N  
HETATM   35  C   UNL     1      -7.853  -1.957   0.154  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.440  -1.865   1.428  1.00  0.00           C  
HETATM   37  N   UNL     1      -7.908  -0.778   2.036  1.00  0.00           N  
HETATM   38  C   UNL     1      -7.048  -0.214   1.238  1.00  0.00           C  
HETATM   39  N   UNL     1      -8.210  -2.951  -0.652  1.00  0.00           N  
HETATM   40  C   UNL     1      -9.100  -3.841  -0.266  1.00  0.00           C  
HETATM   41  N   UNL     1      -9.680  -3.796   0.920  1.00  0.00           N  
HETATM   42  C   UNL     1      -9.390  -2.835   1.791  1.00  0.00           C  
HETATM   43  N   UNL     1     -10.002  -2.796   3.032  1.00  0.00           N  
HETATM   44  H   UNL     1       5.792  -2.457  -0.278  1.00  0.00           H  
HETATM   45  H   UNL     1       9.603  -0.873   0.074  1.00  0.00           H  
HETATM   46  H   UNL     1       9.296  -2.596   0.402  1.00  0.00           H  
HETATM   47  H   UNL     1       8.705  -2.945  -1.981  1.00  0.00           H  
HETATM   48  H   UNL     1       9.012  -1.222  -2.309  1.00  0.00           H  
HETATM   49  H   UNL     1      12.179  -2.868  -3.154  1.00  0.00           H  
HETATM   50  H   UNL     1       7.534   0.922   1.879  1.00  0.00           H  
HETATM   51  H   UNL     1       5.945   1.858   0.223  1.00  0.00           H  
HETATM   52  H   UNL     1       5.570   1.026   3.211  1.00  0.00           H  
HETATM   53  H   UNL     1       4.979  -1.181   3.977  1.00  0.00           H  
HETATM   54  H   UNL     1       3.768  -0.833   1.911  1.00  0.00           H  
HETATM   55  H   UNL     1       3.223   1.353   3.055  1.00  0.00           H  
HETATM   56  H   UNL     1       3.952   2.207   1.674  1.00  0.00           H  
HETATM   57  H   UNL     1       0.059   1.505   3.128  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.335   2.961  -2.349  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.236   2.716  -0.773  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.492   2.689  -2.390  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.953   0.193  -2.476  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.800  -1.484  -1.584  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.690   0.877  -1.565  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.921   0.079  -3.806  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.079   2.338  -2.342  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.434   1.428  -4.523  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.476   0.673   1.471  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.368  -4.636  -0.946  1.00  0.00           H  
HETATM   69  H   UNL     1     -10.651  -3.476   3.274  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.782  -2.090   3.659  1.00  0.00           H  
CONECT    1    2   44                                                 
CONECT    2    8    3   11    1                                       
CONECT    3    4    2   45   46                                       
CONECT    4    5    3   47   48                                       
CONECT    5    7    7    6    4                                       
CONECT    6    5   49                                                 
CONECT    7    5    5                                                 
CONECT    8    9    2                                                 
CONECT    9   12   10    8   50                                       
CONECT   10    9   15   11   51                                       
CONECT   11   10    2                                                 
CONECT   12   13   14    9   52                                       
CONECT   13   12   53                                                 
CONECT   14   16   12   15   54                                       
CONECT   15   14   10                                                 
CONECT   16   17   14   55   56                                       
CONECT   17   18   16                                                 
CONECT   18   20   20   21   19                                       
CONECT   18   17                                                      
CONECT   19   18   57                                                 
CONECT   20   18   18                                                 
CONECT   21   22   18                                                 
CONECT   22   25   23   23   21                                       
CONECT   22   24                                                      
CONECT   23   22   22                                                 
CONECT   24   22   58                                                 
CONECT   25   26   22                                                 
CONECT   26   27   25   59   60                                       
CONECT   27   28   32   26   61                                       
CONECT   28   29   27                                                 
CONECT   29   34   28   30   62                                       
CONECT   30   29   31   32   63                                       
CONECT   31   30   64                                                 
CONECT   32   30   27   33   65                                       
CONECT   33   32   66                                                 
CONECT   34   35   38   29                                            
CONECT   35   36   36   39   34                                       
CONECT   36   42   37   35   35                                       
CONECT   37   36   38   38                                            
CONECT   38   37   37   34   67                                       
CONECT   39   40   40   35                                            
CONECT   40   41   39   39   68                                       
CONECT   41   42   42   40                                            
CONECT   42   43   41   41   36                                       
CONECT   43   42   69   70                                            
CONECT   44    1                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    6                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   19                                                      
CONECT   58   24                                                      
CONECT   59   26                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   38                                                      
CONECT   68   40                                                      
CONECT   69   43                                                      
CONECT   70   43                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
