COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.857   1.648  -2.825  1.00  0.00           O  
HETATM    2  C   UNL     1       4.564   0.715  -3.141  1.00  0.00           C  
HETATM    3  C   UNL     1       4.291  -0.038  -4.418  1.00  0.00           C  
HETATM    4  N   UNL     1       5.597   0.355  -2.354  1.00  0.00           N  
HETATM    5  C   UNL     1       5.866   1.090  -1.116  1.00  0.00           C  
HETATM    6  C   UNL     1       7.343   0.939  -0.741  1.00  0.00           C  
HETATM    7  O   UNL     1       8.157   1.530  -1.757  1.00  0.00           O  
HETATM    8  C   UNL     1       7.595   1.646   0.594  1.00  0.00           C  
HETATM    9  O   UNL     1       8.954   1.450   0.989  1.00  0.00           O  
HETATM   10  C   UNL     1       6.663   1.060   1.657  1.00  0.00           C  
HETATM   11  C   UNL     1       6.866   1.802   2.979  1.00  0.00           C  
HETATM   12  O   UNL     1       6.082   1.181   4.000  1.00  0.00           O  
HETATM   13  O   UNL     1       5.306   1.206   1.232  1.00  0.00           O  
HETATM   14  C   UNL     1       5.000   0.525   0.013  1.00  0.00           C  
HETATM   15  N   UNL     1       3.585   0.719  -0.313  1.00  0.00           N  
HETATM   16  C   UNL     1       2.676  -0.206   0.054  1.00  0.00           C  
HETATM   17  S   UNL     1       3.176  -1.607   0.901  1.00  0.00           S  
HETATM   18  N   UNL     1       1.375  -0.028  -0.245  1.00  0.00           N  
HETATM   19  C   UNL     1       0.387  -1.034   0.154  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.005  -0.592  -0.304  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.015  -1.481   0.275  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.304  -2.771  -0.356  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.414  -2.584  -1.871  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.150  -1.277  -2.171  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.013  -2.533  -2.482  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.191  -3.741  -0.049  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.195  -4.963  -0.603  1.00  0.00           O  
HETATM   28  O   UNL     1      -0.296  -3.417   0.695  1.00  0.00           O  
HETATM   29  S   UNL     1      -2.830  -1.028   1.643  1.00  0.00           S  
HETATM   30  O   UNL     1      -3.284  -2.227   2.256  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.004  -0.080   2.307  1.00  0.00           O  
HETATM   32  C   UNL     1      -4.271  -0.156   1.127  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.220   1.214   0.944  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.346   1.902   0.539  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.449  -0.845   0.901  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.581  -0.167   0.496  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.536   1.214   0.315  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.750   1.948  -0.120  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.941   1.259  -0.344  1.00  0.00           C  
HETATM   40  C   UNL     1     -10.067   1.947  -0.748  1.00  0.00           C  
HETATM   41  C   UNL     1     -10.015   3.317  -0.930  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.836   4.006  -0.709  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.705   3.329  -0.300  1.00  0.00           C  
HETATM   44  H   UNL     1       4.844   0.422  -5.237  1.00  0.00           H  
HETATM   45  H   UNL     1       4.608  -1.075  -4.303  1.00  0.00           H  
HETATM   46  H   UNL     1       3.224  -0.007  -4.637  1.00  0.00           H  
HETATM   47  H   UNL     1       6.162  -0.392  -2.608  1.00  0.00           H  
HETATM   48  H   UNL     1       5.633   2.145  -1.262  1.00  0.00           H  
HETATM   49  H   UNL     1       7.588  -0.119  -0.646  1.00  0.00           H  
HETATM   50  H   UNL     1       9.107   1.476  -1.580  1.00  0.00           H  
HETATM   51  H   UNL     1       7.397   2.713   0.484  1.00  0.00           H  
HETATM   52  H   UNL     1       9.184   1.872   1.829  1.00  0.00           H  
HETATM   53  H   UNL     1       6.888   0.002   1.795  1.00  0.00           H  
HETATM   54  H   UNL     1       7.919   1.767   3.258  1.00  0.00           H  
HETATM   55  H   UNL     1       6.555   2.841   2.864  1.00  0.00           H  
HETATM   56  H   UNL     1       6.162   1.600   4.867  1.00  0.00           H  
HETATM   57  H   UNL     1       5.204  -0.539   0.130  1.00  0.00           H  
HETATM   58  H   UNL     1       3.302   1.513  -0.793  1.00  0.00           H  
HETATM   59  H   UNL     1       1.092   0.766  -0.725  1.00  0.00           H  
HETATM   60  H   UNL     1       0.635  -1.990  -0.307  1.00  0.00           H  
HETATM   61  H   UNL     1       0.395  -1.140   1.239  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.188   0.431   0.026  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.061  -0.638  -1.392  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.244  -3.162   0.032  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.968  -3.420  -2.300  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.829  -0.509  -1.467  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.921  -0.956  -3.187  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.224  -1.434  -2.073  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.741  -3.522  -2.852  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.002  -1.820  -3.307  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.296  -2.220  -1.722  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.461  -5.550  -0.377  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.296   1.747   1.119  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.304   2.972   0.397  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.483  -1.915   1.041  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.500  -0.706   0.320  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.982   0.189  -0.203  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.990   1.415  -0.922  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.899   3.852  -1.247  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.803   5.076  -0.849  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.785   3.867  -0.127  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1    4                                       
CONECT    3    2   44   45   46                                       
CONECT    4    2    5   47                                            
CONECT    5    6    4   14   48                                       
CONECT    6    7    8    5   49                                       
CONECT    7    6   50                                                 
CONECT    8    9    6   10   51                                       
CONECT    9    8   52                                                 
CONECT   10    8   11   13   53                                       
CONECT   11   10   12   54   55                                       
CONECT   12   11   56                                                 
CONECT   13   10   14                                                 
CONECT   14    5   13   15   57                                       
CONECT   15   14   16   58                                            
CONECT   16   15   18   17   17                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   59                                            
CONECT   19   18   20   60   61                                       
CONECT   20   19   21   62   63                                       
CONECT   21   22   20   29                                            
CONECT   22   26   23   21   64                                       
CONECT   23   25   22   24   65                                       
CONECT   24   23   66   67   68                                       
CONECT   25   23   69   70   71                                       
CONECT   26   28   28   27   22                                       
CONECT   27   26   72                                                 
CONECT   28   26   26                                                 
CONECT   29   21   32   30   30                                       
CONECT   29   31   31                                                 
CONECT   30   29   29                                                 
CONECT   31   29   29                                                 
CONECT   32   33   29   35   35                                       
CONECT   33   34   34   32   73                                       
CONECT   34   33   33   37   74                                       
CONECT   35   32   32   36   75                                       
CONECT   36   37   37   35   76                                       
CONECT   37   34   38   36   36                                       
CONECT   38   43   37   39   39                                       
CONECT   39   38   38   40   77                                       
CONECT   40   41   41   39   78                                       
CONECT   41   42   40   40   79                                       
CONECT   42   43   43   41   80                                       
CONECT   43   42   42   38   81                                       
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   27                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   39                                                      
CONECT   78   40                                                      
CONECT   79   41                                                      
CONECT   80   42                                                      
CONECT   81   43                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
