COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.875   6.061   0.075  1.00  0.00           C  
HETATM    2  C   UNL     1       1.715   4.985  -0.144  1.00  0.00           C  
HETATM    3  C   UNL     1       1.418   4.067  -1.134  1.00  0.00           C  
HETATM    4  C   UNL     1       0.280   4.223  -1.903  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.561   5.299  -1.683  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.266   6.214  -0.691  1.00  0.00           C  
HETATM    7  S   UNL     1       2.489   2.697  -1.414  1.00  0.00           S  
HETATM    8  N   UNL     1       1.964   1.458  -0.449  1.00  0.00           N  
HETATM    9  C   UNL     1       2.592   1.228   0.855  1.00  0.00           C  
HETATM   10  C   UNL     1       3.730   0.252   0.699  1.00  0.00           C  
HETATM   11  C   UNL     1       4.938   0.677   0.179  1.00  0.00           C  
HETATM   12  C   UNL     1       5.982  -0.218   0.036  1.00  0.00           C  
HETATM   13  C   UNL     1       5.817  -1.538   0.413  1.00  0.00           C  
HETATM   14  I   UNL     1       7.399  -2.895   0.197  1.00  0.00           I  
HETATM   15  C   UNL     1       4.608  -1.963   0.934  1.00  0.00           C  
HETATM   16  C   UNL     1       3.567  -1.066   1.082  1.00  0.00           C  
HETATM   17  C   UNL     1       0.871   0.592  -0.898  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.200   0.462   0.209  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.342   1.336  -0.069  1.00  0.00           N  
HETATM   20  S   UNL     1      -1.808   2.469   1.045  1.00  0.00           S  
HETATM   21  O   UNL     1      -2.632   3.398   0.353  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.848   1.656   2.212  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.289   0.916   3.237  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.104   0.277   4.153  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.479   0.379   4.043  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.037   1.119   3.018  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.222   1.763   2.106  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.633   2.847   1.749  1.00  0.00           O  
HETATM   29  C   UNL     1      -2.071   1.209  -1.333  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.175   0.194  -1.176  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.361   0.552  -0.563  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.373  -0.378  -0.418  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.199  -1.667  -0.888  1.00  0.00           C  
HETATM   34  I   UNL     1      -6.733  -3.077  -0.670  1.00  0.00           I  
HETATM   35  C   UNL     1      -4.013  -2.025  -1.502  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.003  -1.093  -1.651  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.615  -1.028   0.116  1.00  0.00           C  
HETATM   38  N   UNL     1       0.665  -1.719  -0.183  1.00  0.00           N  
HETATM   39  C   UNL     1       1.386  -0.841  -1.130  1.00  0.00           C  
HETATM   40  O   UNL     1       2.268   2.282  -2.755  1.00  0.00           O  
HETATM   41  O   UNL     1       3.766   3.077  -0.919  1.00  0.00           O  
HETATM   42  H   UNL     1       1.107   6.779   0.848  1.00  0.00           H  
HETATM   43  H   UNL     1       2.604   4.863   0.457  1.00  0.00           H  
HETATM   44  H   UNL     1       0.048   3.506  -2.677  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.449   5.421  -2.285  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.923   7.054  -0.519  1.00  0.00           H  
HETATM   47  H   UNL     1       2.974   2.171   1.246  1.00  0.00           H  
HETATM   48  H   UNL     1       1.855   0.820   1.546  1.00  0.00           H  
HETATM   49  H   UNL     1       5.067   1.708  -0.116  1.00  0.00           H  
HETATM   50  H   UNL     1       6.925   0.113  -0.371  1.00  0.00           H  
HETATM   51  H   UNL     1       4.479  -2.994   1.229  1.00  0.00           H  
HETATM   52  H   UNL     1       2.623  -1.397   1.489  1.00  0.00           H  
HETATM   53  H   UNL     1       0.427   0.987  -1.811  1.00  0.00           H  
HETATM   54  H   UNL     1       0.227   0.683   1.187  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.215   0.836   3.322  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.668  -0.302   4.953  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.116  -0.120   4.758  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.111   1.203   2.936  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.658   2.341   1.306  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.501   2.173  -1.604  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.387   0.883  -2.116  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.496   1.559  -0.196  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.299  -0.098   0.062  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.878  -3.030  -1.873  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.077  -1.372  -2.131  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.026  -1.373   1.065  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.332  -1.178  -0.691  1.00  0.00           H  
HETATM   68  H   UNL     1       1.203  -1.864   0.658  1.00  0.00           H  
HETATM   69  H   UNL     1       1.177  -1.149  -2.155  1.00  0.00           H  
HETATM   70  H   UNL     1       2.457  -0.887  -0.936  1.00  0.00           H  
CONECT    1    2    2    6   42                                       
CONECT    2    3    1    1   43                                       
CONECT    3    7    4    4    2                                       
CONECT    4    3    3    5   44                                       
CONECT    5    4    6    6   45                                       
CONECT    6    5    5    1   46                                       
CONECT    7   41   41    8   40                                       
CONECT    7   40    3                                                 
CONECT    8   17    7    9                                            
CONECT    9    8   10   47   48                                       
CONECT   10   16    9   11   11                                       
CONECT   11   10   10   12   49                                       
CONECT   12   13   13   11   50                                       
CONECT   13   15   14   12   12                                       
CONECT   14   13                                                      
CONECT   15   16   16   13   51                                       
CONECT   16   15   15   10   52                                       
CONECT   17   18   39    8   53                                       
CONECT   18   19   17   37   54                                       
CONECT   19   20   29   18                                            
CONECT   20   28   28   22   21                                       
CONECT   20   21   19                                                 
CONECT   21   20   20                                                 
CONECT   22   27   20   23   23                                       
CONECT   23   22   22   24   55                                       
CONECT   24   25   25   23   56                                       
CONECT   25   26   24   24   57                                       
CONECT   26   27   27   25   58                                       
CONECT   27   26   26   22   59                                       
CONECT   28   20   20                                                 
CONECT   29   30   19   60   61                                       
CONECT   30   36   29   31   31                                       
CONECT   31   30   30   32   62                                       
CONECT   32   33   33   31   63                                       
CONECT   33   35   34   32   32                                       
CONECT   34   33                                                      
CONECT   35   36   36   33   64                                       
CONECT   36   35   35   30   65                                       
CONECT   37   18   38   66   67                                       
CONECT   38   37   39   68                                            
CONECT   39   17   38   69   70                                       
CONECT   40    7    7                                                 
CONECT   41    7    7                                                 
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   29                                                      
CONECT   61   29                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   35                                                      
CONECT   65   36                                                      
CONECT   66   37                                                      
CONECT   67   37                                                      
CONECT   68   38                                                      
CONECT   69   39                                                      
CONECT   70   39                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
