COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.551  -1.489  -0.403  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.968  -1.036  -0.044  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.226   0.353  -0.637  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.983  -2.028  -0.617  1.00  0.00           C  
HETATM    5  N   UNL     1      -7.629   0.717  -0.396  1.00  0.00           N  
HETATM    6  C   UNL     1      -8.398  -1.593  -0.231  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.684  -0.211  -0.826  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.948   1.903   0.222  1.00  0.00           C  
HETATM    9  N   UNL     1      -7.012   2.767   0.497  1.00  0.00           N  
HETATM   10  N   UNL     1      -9.255   2.178   0.549  1.00  0.00           N  
HETATM   11  N   UNL     1       0.405  -1.689   0.935  1.00  0.00           N  
HETATM   12  C   UNL     1       0.161  -0.359   0.372  1.00  0.00           C  
HETATM   13  C   UNL     1       1.159   0.617   0.938  1.00  0.00           C  
HETATM   14  O   UNL     1       1.600   0.453   2.056  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.256   0.095   0.731  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.258  -0.815   0.067  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.876  -1.735  -0.625  1.00  0.00           O  
HETATM   18  N   UNL     1      -3.578  -0.605   0.243  1.00  0.00           N  
HETATM   19  S   UNL     1       1.342  -2.778   0.110  1.00  0.00           S  
HETATM   20  O   UNL     1       1.414  -3.941   0.923  1.00  0.00           O  
HETATM   21  O   UNL     1       0.859  -2.792  -1.226  1.00  0.00           O  
HETATM   22  C   UNL     1       3.329  -1.315  -0.998  1.00  0.00           C  
HETATM   23  C   UNL     1       2.973  -2.116   0.043  1.00  0.00           C  
HETATM   24  C   UNL     1       3.878  -2.416   1.060  1.00  0.00           C  
HETATM   25  C   UNL     1       5.146  -1.920   1.039  1.00  0.00           C  
HETATM   26  C   UNL     1       6.852  -0.565  -0.080  1.00  0.00           C  
HETATM   27  C   UNL     1       7.208   0.235  -1.122  1.00  0.00           C  
HETATM   28  C   UNL     1       6.302   0.540  -2.135  1.00  0.00           C  
HETATM   29  C   UNL     1       5.034   0.045  -2.114  1.00  0.00           C  
HETATM   30  C   UNL     1       4.630  -0.785  -1.055  1.00  0.00           C  
HETATM   31  C   UNL     1       5.552  -1.095  -0.023  1.00  0.00           C  
HETATM   32  N   UNL     1       1.562   1.672   0.203  1.00  0.00           N  
HETATM   33  C   UNL     1       2.575   2.602   0.720  1.00  0.00           C  
HETATM   34  C   UNL     1       3.706   2.721  -0.306  1.00  0.00           C  
HETATM   35  C   UNL     1       3.115   3.121  -1.665  1.00  0.00           C  
HETATM   36  C   UNL     1       2.137   2.043  -2.139  1.00  0.00           C  
HETATM   37  C   UNL     1       0.993   1.918  -1.129  1.00  0.00           C  
HETATM   38  C   UNL     1       3.127   2.076   2.020  1.00  0.00           C  
HETATM   39  O   UNL     1       3.492   0.927   2.101  1.00  0.00           O  
HETATM   40  O   UNL     1       3.213   2.884   3.089  1.00  0.00           O  
HETATM   41  C   UNL     1       2.369   4.450  -1.526  1.00  0.00           C  
HETATM   42  H   UNL     1      -4.420  -1.448  -1.484  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.399  -2.512  -0.057  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.073  -0.993   1.040  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.572   1.082  -0.159  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.033   0.333  -1.710  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.894  -2.051  -1.703  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.786  -3.022  -0.215  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.119  -2.312  -0.620  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.481  -1.545   0.855  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.651   0.147  -0.473  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.691  -0.276  -1.914  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.238   3.604   0.933  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.940   1.503   0.418  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.492   3.046   0.911  1.00  0.00           H  
HETATM   56  H   UNL     1       0.017  -1.933   1.790  1.00  0.00           H  
HETATM   57  H   UNL     1       0.266  -0.398  -0.712  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.388   0.053   1.812  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.408   1.117   0.385  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.882   0.131   0.796  1.00  0.00           H  
HETATM   61  H   UNL     1       2.616  -1.088  -1.776  1.00  0.00           H  
HETATM   62  H   UNL     1       3.569  -3.050   1.877  1.00  0.00           H  
HETATM   63  H   UNL     1       5.836  -2.161   1.834  1.00  0.00           H  
HETATM   64  H   UNL     1       7.565  -0.793   0.698  1.00  0.00           H  
HETATM   65  H   UNL     1       8.208   0.641  -1.163  1.00  0.00           H  
HETATM   66  H   UNL     1       6.610   1.178  -2.951  1.00  0.00           H  
HETATM   67  H   UNL     1       4.342   0.290  -2.906  1.00  0.00           H  
HETATM   68  H   UNL     1       2.123   3.580   0.885  1.00  0.00           H  
HETATM   69  H   UNL     1       4.212   1.760  -0.398  1.00  0.00           H  
HETATM   70  H   UNL     1       4.419   3.480   0.017  1.00  0.00           H  
HETATM   71  H   UNL     1       3.919   3.230  -2.393  1.00  0.00           H  
HETATM   72  H   UNL     1       2.658   1.089  -2.219  1.00  0.00           H  
HETATM   73  H   UNL     1       1.734   2.320  -3.113  1.00  0.00           H  
HETATM   74  H   UNL     1       0.347   1.085  -1.409  1.00  0.00           H  
HETATM   75  H   UNL     1       0.413   2.841  -1.114  1.00  0.00           H  
HETATM   76  H   UNL     1       3.574   2.502   3.901  1.00  0.00           H  
HETATM   77  H   UNL     1       3.061   5.221  -1.190  1.00  0.00           H  
HETATM   78  H   UNL     1       1.949   4.733  -2.491  1.00  0.00           H  
HETATM   79  H   UNL     1       1.565   4.340  -0.798  1.00  0.00           H  
CONECT    1   18    2   42   43                                       
CONECT    2    1    4    3   44                                       
CONECT    3    2    5   45   46                                       
CONECT    4    2    6   47   48                                       
CONECT    5    3    7    8                                            
CONECT    6    4    7   49   50                                       
CONECT    7    5    6   51   52                                       
CONECT    8    5    9    9   10                                       
CONECT    9    8    8   53                                            
CONECT   10    8   54   55                                            
CONECT   11   12   19   56                                            
CONECT   12   15   13   11   57                                       
CONECT   13   12   32   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   58   59                                       
CONECT   16   15   18   17   17                                       
CONECT   17   16   16                                                 
CONECT   18   16    1   60                                            
CONECT   19   11   20   20   23                                       
CONECT   19   21   21                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   23   23   30   61                                       
CONECT   23   19   22   22   24                                       
CONECT   24   23   25   25   62                                       
CONECT   25   24   24   31   63                                       
CONECT   26   31   31   27   64                                       
CONECT   27   26   28   28   65                                       
CONECT   28   29   27   27   66                                       
CONECT   29   30   30   28   67                                       
CONECT   30   22   29   29   31                                       
CONECT   31   30   25   26   26                                       
CONECT   32   13   33   37                                            
CONECT   33   32   38   34   68                                       
CONECT   34   35   33   69   70                                       
CONECT   35   41   34   36   71                                       
CONECT   36   37   35   72   73                                       
CONECT   37   32   36   74   75                                       
CONECT   38   39   39   40   33                                       
CONECT   39   38   38                                                 
CONECT   40   38   76                                                 
CONECT   41   35   77   78   79                                       
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   18                                                      
CONECT   61   22                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
CONECT   75   37                                                      
CONECT   76   40                                                      
CONECT   77   41                                                      
CONECT   78   41                                                      
CONECT   79   41                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
