COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.030   1.342   0.879  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.956   1.597   1.939  1.00  0.00           C  
HETATM    3  C   UNL     1       0.383   1.861   1.243  1.00  0.00           C  
HETATM    4  C   UNL     1       0.724   0.668   0.346  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.415   0.448  -0.652  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.115  -0.762  -1.500  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.320   2.735   2.723  1.00  0.00           O  
HETATM    8  O   UNL     1       1.408   2.029   2.226  1.00  0.00           O  
HETATM    9  O   UNL     1       1.936   0.934  -0.364  1.00  0.00           O  
HETATM   10  O   UNL     1      -1.637   0.239   0.060  1.00  0.00           O  
HETATM   11  O   UNL     1       0.869  -0.714  -2.412  1.00  0.00           O  
HETATM   12  O   UNL     1      -3.271   1.039   1.521  1.00  0.00           O  
HETATM   13  C   UNL     1       3.121   0.644   0.380  1.00  0.00           C  
HETATM   14  C   UNL     1       4.348   1.075  -0.426  1.00  0.00           C  
HETATM   15  C   UNL     1       4.406   0.266  -1.725  1.00  0.00           C  
HETATM   16  C   UNL     1       4.430  -1.227  -1.383  1.00  0.00           C  
HETATM   17  C   UNL     1       3.199  -1.569  -0.539  1.00  0.00           C  
HETATM   18  C   UNL     1       3.246  -3.046  -0.143  1.00  0.00           C  
HETATM   19  O   UNL     1       3.190  -0.760   0.638  1.00  0.00           O  
HETATM   20  N   UNL     1       4.250   2.502  -0.743  1.00  0.00           N  
HETATM   21  O   UNL     1       5.588   0.609  -2.451  1.00  0.00           O  
HETATM   22  O   UNL     1       4.410  -1.994  -2.589  1.00  0.00           O  
HETATM   23  O   UNL     1       2.049  -3.390   0.557  1.00  0.00           O  
HETATM   24  S   UNL     1       4.990   3.619   0.231  1.00  0.00           S  
HETATM   25  S   UNL     1       1.987  -4.845   1.001  1.00  0.00           S  
HETATM   26  O   UNL     1       0.671  -5.060   1.490  1.00  0.00           O  
HETATM   27  O   UNL     1       2.561  -5.610  -0.050  1.00  0.00           O  
HETATM   28  O   UNL     1       2.919  -4.990   2.196  1.00  0.00           O  
HETATM   29  O   UNL     1       4.741   4.889  -0.355  1.00  0.00           O  
HETATM   30  O   UNL     1       4.625   3.293   1.565  1.00  0.00           O  
HETATM   31  O   UNL     1       6.490   3.384   0.126  1.00  0.00           O  
HETATM   32  C   UNL     1      -4.357   0.887   0.722  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.224   1.022  -0.659  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.307   0.872  -1.476  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.560   0.580  -0.924  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.700   0.442   0.470  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.589   0.593   1.285  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.739   0.414  -1.775  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.927   0.132  -1.179  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.995   0.008   0.224  1.00  0.00           C  
HETATM   41  O   UNL     1      -7.911   0.161   0.999  1.00  0.00           O  
HETATM   42  C   UNL     1      -7.638   0.553  -3.273  1.00  0.00           C  
HETATM   43  O   UNL     1     -10.066  -0.245   0.745  1.00  0.00           O  
HETATM   44  O   UNL     1      -0.759  -1.774  -1.359  1.00  0.00           O  
HETATM   45  H   UNL     1      -2.149   2.231   0.259  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.865   0.724   2.584  1.00  0.00           H  
HETATM   47  H   UNL     1       0.308   2.764   0.636  1.00  0.00           H  
HETATM   48  H   UNL     1       0.849  -0.225   0.959  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.513   1.325  -1.292  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.162   2.638   3.189  1.00  0.00           H  
HETATM   51  H   UNL     1       1.253   2.764   2.834  1.00  0.00           H  
HETATM   52  H   UNL     1       0.976  -1.487  -2.983  1.00  0.00           H  
HETATM   53  H   UNL     1       3.098   1.187   1.326  1.00  0.00           H  
HETATM   54  H   UNL     1       5.251   0.893   0.158  1.00  0.00           H  
HETATM   55  H   UNL     1       3.528   0.488  -2.333  1.00  0.00           H  
HETATM   56  H   UNL     1       5.334  -1.457  -0.820  1.00  0.00           H  
HETATM   57  H   UNL     1       2.296  -1.377  -1.119  1.00  0.00           H  
HETATM   58  H   UNL     1       3.332  -3.660  -1.040  1.00  0.00           H  
HETATM   59  H   UNL     1       4.107  -3.222   0.502  1.00  0.00           H  
HETATM   60  H   UNL     1       3.752   2.793  -1.522  1.00  0.00           H  
HETATM   61  H   UNL     1       5.689   0.132  -3.286  1.00  0.00           H  
HETATM   62  H   UNL     1       4.423  -2.950  -2.447  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.258   1.247  -1.085  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.198   0.978  -2.545  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.683   0.486   2.355  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.816   0.004  -1.778  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.415  -0.419  -3.713  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.585   0.922  -3.668  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.843   1.255  -3.520  1.00  0.00           H  
HETATM   70  H   UNL     1       2.955  -5.885   2.559  1.00  0.00           H  
HETATM   71  H   UNL     1       7.021   3.989   0.662  1.00  0.00           H  
CONECT    1    2   12   10   45                                       
CONECT    2    7    3    1   46                                       
CONECT    3    8    2    4   47                                       
CONECT    4    3    9    5   48                                       
CONECT    5    4   10    6   49                                       
CONECT    6    5   44   44   11                                       
CONECT    7    2   50                                                 
CONECT    8    3   51                                                 
CONECT    9   13    4                                                 
CONECT   10    1    5                                                 
CONECT   11    6   52                                                 
CONECT   12    1   32                                                 
CONECT   13   19   14    9   53                                       
CONECT   14   13   20   15   54                                       
CONECT   15   14   16   21   55                                       
CONECT   16   17   15   22   56                                       
CONECT   17   19   18   16   57                                       
CONECT   18   23   17   58   59                                       
CONECT   19   13   17                                                 
CONECT   20   14   24   60                                            
CONECT   21   15   61                                                 
CONECT   22   16   62                                                 
CONECT   23   25   18                                                 
CONECT   24   29   29   30   30                                       
CONECT   24   20   31                                                 
CONECT   25   27   27   26   26                                       
CONECT   25   28   23                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   25   70                                                 
CONECT   29   24   24                                                 
CONECT   30   24   24                                                 
CONECT   31   24   71                                                 
CONECT   32   12   33   33   37                                       
CONECT   33   32   32   34   63                                       
CONECT   34   33   35   35   64                                       
CONECT   35   34   34   36   38                                       
CONECT   36   37   37   35   41                                       
CONECT   37   32   36   36   65                                       
CONECT   38   35   42   39   39                                       
CONECT   39   38   38   40   66                                       
CONECT   40   41   39   43   43                                       
CONECT   41   36   40                                                 
CONECT   42   38   67   68   69                                       
CONECT   43   40   40                                                 
CONECT   44    6    6                                                 
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52   11                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   33                                                      
CONECT   64   34                                                      
CONECT   65   37                                                      
CONECT   66   39                                                      
CONECT   67   42                                                      
CONECT   68   42                                                      
CONECT   69   42                                                      
CONECT   70   28                                                      
CONECT   71   31                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
