COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.442   1.663   0.326  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.903   1.346   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.270  -0.024   0.580  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.808   2.415   0.617  1.00  0.00           C  
HETATM    5  N   UNL     1      -7.706  -0.256   0.373  1.00  0.00           N  
HETATM    6  C   UNL     1      -8.267   2.116   0.265  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.661   0.755   0.847  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.148  -1.398  -0.253  1.00  0.00           C  
HETATM    9  N   UNL     1      -7.290  -2.230  -0.773  1.00  0.00           N  
HETATM   10  N   UNL     1      -9.495  -1.661  -0.332  1.00  0.00           N  
HETATM   11  N   UNL     1       0.475   1.436  -1.154  1.00  0.00           N  
HETATM   12  C   UNL     1       0.125   0.126  -0.600  1.00  0.00           C  
HETATM   13  C   UNL     1       1.015  -0.929  -1.204  1.00  0.00           C  
HETATM   14  O   UNL     1       1.498  -0.758  -2.303  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.336  -0.191  -0.925  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.233   0.793  -0.219  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.751   1.662   0.475  1.00  0.00           O  
HETATM   18  N   UNL     1      -3.570   0.706  -0.360  1.00  0.00           N  
HETATM   19  S   UNL     1       1.159   2.590  -0.183  1.00  0.00           S  
HETATM   20  O   UNL     1       1.358   3.735  -1.000  1.00  0.00           O  
HETATM   21  O   UNL     1       0.392   2.613   1.014  1.00  0.00           O  
HETATM   22  C   UNL     1       3.842   2.395  -0.470  1.00  0.00           C  
HETATM   23  C   UNL     1       2.762   2.013   0.265  1.00  0.00           C  
HETATM   24  C   UNL     1       2.905   1.172   1.367  1.00  0.00           C  
HETATM   25  C   UNL     1       4.130   0.708   1.739  1.00  0.00           C  
HETATM   26  C   UNL     1       6.548   0.621   1.359  1.00  0.00           C  
HETATM   27  C   UNL     1       7.628   1.003   0.623  1.00  0.00           C  
HETATM   28  C   UNL     1       7.484   1.845  -0.478  1.00  0.00           C  
HETATM   29  C   UNL     1       6.260   2.306  -0.854  1.00  0.00           C  
HETATM   30  C   UNL     1       5.122   1.936  -0.116  1.00  0.00           C  
HETATM   31  C   UNL     1       5.268   1.081   1.005  1.00  0.00           C  
HETATM   32  N   UNL     1       1.274  -2.063  -0.523  1.00  0.00           N  
HETATM   33  C   UNL     1       2.211  -3.048  -1.069  1.00  0.00           C  
HETATM   34  C   UNL     1       0.619  -2.311   0.764  1.00  0.00           C  
HETATM   35  C   UNL     1       3.581  -2.816  -0.486  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.678  -3.043   0.535  1.00  0.00           C  
HETATM   37  C   UNL     1       3.945  -3.441   0.692  1.00  0.00           C  
HETATM   38  C   UNL     1       4.475  -1.983  -1.132  1.00  0.00           C  
HETATM   39  O   UNL     1      -1.453  -3.378   1.578  1.00  0.00           O  
HETATM   40  O   UNL     1      -1.020  -3.329  -0.588  1.00  0.00           O  
HETATM   41  C   UNL     1       5.202  -3.228   1.227  1.00  0.00           C  
HETATM   42  C   UNL     1       5.732  -1.770  -0.596  1.00  0.00           C  
HETATM   43  C   UNL     1       6.094  -2.391   0.584  1.00  0.00           C  
HETATM   44  H   UNL     1      -4.207   2.674  -0.009  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.286   1.590   1.402  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.041   1.332  -1.081  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.698  -0.801   0.072  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.047  -0.041   1.647  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.688   2.411   1.701  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.533   3.394   0.225  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.909   2.891   0.685  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.383   2.095  -0.819  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.665   0.493   0.516  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.633   0.802   1.936  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.602  -3.035  -1.214  1.00  0.00           H  
HETATM   56  H   UNL     1     -10.136  -1.011  -0.003  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.805  -2.496  -0.716  1.00  0.00           H  
HETATM   58  H   UNL     1       0.307   1.627  -2.090  1.00  0.00           H  
HETATM   59  H   UNL     1       0.262   0.141   0.482  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.492  -0.119  -2.001  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.571  -1.202  -0.591  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.956   0.011  -0.916  1.00  0.00           H  
HETATM   63  H   UNL     1       3.715   3.044  -1.324  1.00  0.00           H  
HETATM   64  H   UNL     1       2.032   0.884   1.933  1.00  0.00           H  
HETATM   65  H   UNL     1       4.226   0.056   2.596  1.00  0.00           H  
HETATM   66  H   UNL     1       6.674  -0.032   2.210  1.00  0.00           H  
HETATM   67  H   UNL     1       8.610   0.649   0.897  1.00  0.00           H  
HETATM   68  H   UNL     1       8.357   2.134  -1.044  1.00  0.00           H  
HETATM   69  H   UNL     1       6.164   2.957  -1.709  1.00  0.00           H  
HETATM   70  H   UNL     1       1.872  -4.052  -0.814  1.00  0.00           H  
HETATM   71  H   UNL     1       2.256  -2.945  -2.154  1.00  0.00           H  
HETATM   72  H   UNL     1       1.272  -2.916   1.393  1.00  0.00           H  
HETATM   73  H   UNL     1       0.417  -1.360   1.258  1.00  0.00           H  
HETATM   74  H   UNL     1       3.248  -4.095   1.195  1.00  0.00           H  
HETATM   75  H   UNL     1       4.192  -1.499  -2.055  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.275  -3.847   1.381  1.00  0.00           H  
HETATM   77  H   UNL     1       5.486  -3.716   2.148  1.00  0.00           H  
HETATM   78  H   UNL     1       6.431  -1.120  -1.101  1.00  0.00           H  
HETATM   79  H   UNL     1       7.076  -2.224   1.003  1.00  0.00           H  
CONECT    1   18    2   44   45                                       
CONECT    2    1    3    4   46                                       
CONECT    3    2    5   47   48                                       
CONECT    4    2    6   49   50                                       
CONECT    5    3    7    8                                            
CONECT    6    4    7   51   52                                       
CONECT    7    5    6   53   54                                       
CONECT    8    5    9    9   10                                       
CONECT    9    8    8   55                                            
CONECT   10    8   56   57                                            
CONECT   11   12   19   58                                            
CONECT   12   13   11   15   59                                       
CONECT   13   12   32   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   60   61                                       
CONECT   16   15   18   17   17                                       
CONECT   17   16   16                                                 
CONECT   18   16    1   62                                            
CONECT   19   11   23   21   21                                       
CONECT   19   20   20                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   23   30   30   63                                       
CONECT   23   19   22   24   24                                       
CONECT   24   23   23   25   64                                       
CONECT   25   24   31   31   65                                       
CONECT   26   31   27   27   66                                       
CONECT   27   26   26   28   67                                       
CONECT   28   29   29   27   68                                       
CONECT   29   30   28   28   69                                       
CONECT   30   22   22   31   29                                       
CONECT   31   30   25   25   26                                       
CONECT   32   13   33   34                                            
CONECT   33   32   35   70   71                                       
CONECT   34   32   36   72   73                                       
CONECT   35   33   37   38   38                                       
CONECT   36   34   39   40   40                                       
CONECT   37   35   41   41   74                                       
CONECT   38   35   35   42   75                                       
CONECT   39   36   76                                                 
CONECT   40   36   36                                                 
CONECT   41   37   37   43   77                                       
CONECT   42   38   43   43   78                                       
CONECT   43   41   42   42   79                                       
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   12                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   18                                                      
CONECT   63   22                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   33                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   34                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   41                                                      
CONECT   78   42                                                      
CONECT   79   43                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
