COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.594   2.156  -0.488  1.00  0.00           N  
HETATM    2  C   UNL     1       3.248   0.161  -0.250  1.00  0.00           C  
HETATM    3  C   UNL     1       4.449   0.829  -0.066  1.00  0.00           C  
HETATM    4  C   UNL     1       3.004   3.363   1.396  1.00  0.00           C  
HETATM    5  C   UNL     1       1.888  -1.923   0.020  1.00  0.00           C  
HETATM    6  C   UNL     1       1.801  -3.243   0.460  1.00  0.00           C  
HETATM    7  C   UNL     1       0.219  -5.353   0.671  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.397  -2.026  -0.721  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.636   0.407  -2.346  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.406   1.355   0.840  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.002   0.676  -1.912  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.846   1.440   1.380  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.567   2.465   2.481  1.00  0.00           C  
HETATM   14  C   UNL     1       0.784  -1.315  -0.571  1.00  0.00           C  
HETATM   15  O   UNL     1       3.815   4.422  -0.915  1.00  0.00           O  
HETATM   16  S   UNL     1       3.315   3.202  -0.384  1.00  0.00           S  
HETATM   17  O   UNL     1       2.246   2.512  -1.017  1.00  0.00           O  
HETATM   18  C   UNL     1       5.512   0.161   0.545  1.00  0.00           C  
HETATM   19  O   UNL     1       6.692   0.806   0.730  1.00  0.00           O  
HETATM   20  C   UNL     1       7.742   0.070   1.361  1.00  0.00           C  
HETATM   21  C   UNL     1       3.153  -1.165   0.188  1.00  0.00           C  
HETATM   22  C   UNL     1       4.259  -1.762   0.783  1.00  0.00           C  
HETATM   23  N   UNL     1       5.383  -1.092   0.946  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.475  -3.338  -0.282  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.591  -4.356  -0.300  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.962  -5.636  -0.101  1.00  0.00           O  
HETATM   27  C   UNL     1       0.624  -3.943   0.308  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.477  -1.436  -1.297  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.325  -0.082  -1.726  1.00  0.00           C  
HETATM   30  N   UNL     1      -3.682   0.441  -1.315  1.00  0.00           N  
HETATM   31  C   UNL     1      -6.080   0.561  -0.832  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.807   1.591   0.267  1.00  0.00           C  
HETATM   33  O   UNL     1      -6.771   0.122   1.926  1.00  0.00           O  
HETATM   34  C   UNL     1      -8.245   1.676   0.806  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.377   1.447  -0.289  1.00  0.00           C  
HETATM   36  H   UNL     1       5.445   2.464  -0.837  1.00  0.00           H  
HETATM   37  H   UNL     1       2.407   0.652  -0.715  1.00  0.00           H  
HETATM   38  H   UNL     1       2.168   4.042   1.559  1.00  0.00           H  
HETATM   39  H   UNL     1       2.765   2.384   1.812  1.00  0.00           H  
HETATM   40  H   UNL     1       3.894   3.758   1.886  1.00  0.00           H  
HETATM   41  H   UNL     1       2.657  -3.717   0.919  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.003  -5.417   1.736  1.00  0.00           H  
HETATM   43  H   UNL     1       1.015  -6.051   0.409  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.494   1.408  -2.753  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.935  -0.271  -3.145  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.189   2.112   1.593  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.360   0.366   1.294  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.031   1.674  -2.349  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.186  -0.066  -2.689  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.307   2.357   3.274  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.570   2.297   2.889  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.624   3.470   2.064  1.00  0.00           H  
HETATM   53  H   UNL     1       0.847  -0.293  -0.913  1.00  0.00           H  
HETATM   54  H   UNL     1       7.420  -0.243   2.354  1.00  0.00           H  
HETATM   55  H   UNL     1       7.980  -0.809   0.762  1.00  0.00           H  
HETATM   56  H   UNL     1       8.627   0.701   1.447  1.00  0.00           H  
HETATM   57  H   UNL     1       4.194  -2.785   1.125  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.297  -4.155   0.507  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.103  -4.335  -1.262  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.529  -0.023  -2.468  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.071   0.544  -0.871  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.059   0.750  -1.273  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.061  -0.442  -0.405  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.865   2.596  -0.152  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.938  -0.581   1.282  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.302   2.681   0.390  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.444   0.946   0.022  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.985   1.568   1.599  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.413   2.442  -0.734  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.380   1.266   0.113  1.00  0.00           H  
CONECT    1   16    3   36                                            
CONECT    2    3    3   21   37                                       
CONECT    3    1    2    2   18                                       
CONECT    4   16   38   39   40                                       
CONECT    5   21   14   14    6                                       
CONECT    6    5   27   27   41                                       
CONECT    7   27   26   42   43                                       
CONECT    8   14   28   24   24                                       
CONECT    9   30   29   44   45                                       
CONECT   10   32   35   46   47                                       
CONECT   11   31   30   48   49                                       
CONECT   12   33   34   13   32                                       
CONECT   13   12   50   51   52                                       
CONECT   14    5    5    8   53                                       
CONECT   15   16   16                                                 
CONECT   16   17   17   15   15                                       
CONECT   16    1    4                                                 
CONECT   17   16   16                                                 
CONECT   18   19    3   23   23                                       
CONECT   19   20   18                                                 
CONECT   20   19   54   55   56                                       
CONECT   21    2   22   22    5                                       
CONECT   22   21   21   23   57                                       
CONECT   23   18   18   22                                            
CONECT   24    8    8   27   25                                       
CONECT   25   24   26   58   59                                       
CONECT   26   25    7                                                 
CONECT   27    6    6   24    7                                       
CONECT   28   29    8                                                 
CONECT   29    9   28   60   61                                       
CONECT   30   35   11    9                                            
CONECT   31   32   11   62   63                                       
CONECT   32   12   10   31   64                                       
CONECT   33   12   65                                                 
CONECT   34   12   66   67   68                                       
CONECT   35   10   30   69   70                                       
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   22                                                      
CONECT   58   25                                                      
CONECT   59   25                                                      
CONECT   60   29                                                      
CONECT   61   29                                                      
CONECT   62   31                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
