COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.460  -1.980  -2.773  1.00  0.00           C  
HETATM    2  O   UNL     1       7.185  -1.525  -2.317  1.00  0.00           O  
HETATM    3  N   UNL     1       8.484   2.381   1.980  1.00  0.00           N  
HETATM    4  C   UNL     1       8.358   1.169   1.403  1.00  0.00           C  
HETATM    5  O   UNL     1       8.966   0.217   1.850  1.00  0.00           O  
HETATM    6  O   UNL     1       7.560   1.014   0.329  1.00  0.00           O  
HETATM    7  C   UNL     1       7.205  -0.216  -1.745  1.00  0.00           C  
HETATM    8  C   UNL     1       7.473  -0.318  -0.241  1.00  0.00           C  
HETATM    9  C   UNL     1       6.324  -1.085   0.421  1.00  0.00           C  
HETATM   10  O   UNL     1       6.527  -1.124   1.835  1.00  0.00           O  
HETATM   11  C   UNL     1       5.003  -0.374   0.113  1.00  0.00           C  
HETATM   12  O   UNL     1       4.830  -0.284  -1.303  1.00  0.00           O  
HETATM   13  C   UNL     1       5.851   0.462  -1.969  1.00  0.00           C  
HETATM   14  C   UNL     1       5.548   0.514  -3.468  1.00  0.00           C  
HETATM   15  C   UNL     1       5.892   1.884  -1.407  1.00  0.00           C  
HETATM   16  O   UNL     1       3.920  -1.114   0.680  1.00  0.00           O  
HETATM   17  C   UNL     1       2.682  -0.563   0.588  1.00  0.00           C  
HETATM   18  C   UNL     1       1.592  -1.232   1.118  1.00  0.00           C  
HETATM   19  C   UNL     1       1.779  -2.566   1.795  1.00  0.00           C  
HETATM   20  C   UNL     1       0.326  -0.671   1.025  1.00  0.00           C  
HETATM   21  C   UNL     1       0.170   0.574   0.391  1.00  0.00           C  
HETATM   22  C   UNL     1       1.281   1.236  -0.139  1.00  0.00           C  
HETATM   23  C   UNL     1       2.521   0.673  -0.034  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.748  -1.309   1.536  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.983  -0.790   1.459  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.918  -1.410   1.938  1.00  0.00           O  
HETATM   27  C   UNL     1      -2.228   0.451   0.842  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.174   1.160   0.297  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.374   2.356  -0.304  1.00  0.00           O  
HETATM   30  N   UNL     1      -3.534   0.966   0.780  1.00  0.00           N  
HETATM   31  C   UNL     1      -4.502   0.273   0.147  1.00  0.00           C  
HETATM   32  O   UNL     1      -4.266  -0.834  -0.296  1.00  0.00           O  
HETATM   33  C   UNL     1      -5.847   0.860  -0.008  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.852   0.144  -0.664  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.106   0.694  -0.807  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.373   1.960  -0.300  1.00  0.00           C  
HETATM   37  O   UNL     1      -9.610   2.500  -0.443  1.00  0.00           O  
HETATM   38  C   UNL     1      -7.376   2.676   0.354  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.121   2.130   0.505  1.00  0.00           C  
HETATM   40  C   UNL     1      -9.190  -0.077  -1.515  1.00  0.00           C  
HETATM   41  C   UNL     1     -10.098  -0.717  -0.496  1.00  0.00           C  
HETATM   42  C   UNL     1     -10.190  -2.023  -0.429  1.00  0.00           C  
HETATM   43  C   UNL     1      -9.281  -2.886  -1.266  1.00  0.00           C  
HETATM   44  C   UNL     1     -11.204  -2.661   0.484  1.00  0.00           C  
HETATM   45  H   UNL     1       8.836  -1.301  -3.539  1.00  0.00           H  
HETATM   46  H   UNL     1       9.157  -2.006  -1.936  1.00  0.00           H  
HETATM   47  H   UNL     1       8.359  -2.981  -3.193  1.00  0.00           H  
HETATM   48  H   UNL     1       9.059   2.493   2.753  1.00  0.00           H  
HETATM   49  H   UNL     1       7.999   3.141   1.622  1.00  0.00           H  
HETATM   50  H   UNL     1       7.991   0.375  -2.216  1.00  0.00           H  
HETATM   51  H   UNL     1       8.411  -0.848  -0.073  1.00  0.00           H  
HETATM   52  H   UNL     1       6.291  -2.101   0.029  1.00  0.00           H  
HETATM   53  H   UNL     1       5.835  -1.595   2.319  1.00  0.00           H  
HETATM   54  H   UNL     1       5.022   0.629   0.541  1.00  0.00           H  
HETATM   55  H   UNL     1       5.518  -0.499  -3.868  1.00  0.00           H  
HETATM   56  H   UNL     1       4.583   0.997  -3.627  1.00  0.00           H  
HETATM   57  H   UNL     1       6.327   1.083  -3.976  1.00  0.00           H  
HETATM   58  H   UNL     1       6.780   2.396  -1.778  1.00  0.00           H  
HETATM   59  H   UNL     1       5.002   2.427  -1.724  1.00  0.00           H  
HETATM   60  H   UNL     1       5.925   1.844  -0.318  1.00  0.00           H  
HETATM   61  H   UNL     1       1.969  -2.411   2.857  1.00  0.00           H  
HETATM   62  H   UNL     1       0.878  -3.166   1.671  1.00  0.00           H  
HETATM   63  H   UNL     1       2.626  -3.085   1.346  1.00  0.00           H  
HETATM   64  H   UNL     1       1.161   2.192  -0.626  1.00  0.00           H  
HETATM   65  H   UNL     1       3.380   1.186  -0.440  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.296   2.645  -0.308  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.739   1.819   1.192  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.645  -0.840  -1.059  1.00  0.00           H  
HETATM   69  H   UNL     1     -10.214   2.296   0.285  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.588   3.659   0.747  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.349   2.685   1.017  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.769   0.602  -2.141  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.740  -0.850  -2.137  1.00  0.00           H  
HETATM   74  H   UNL     1     -10.672  -0.101   0.179  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.559  -2.256  -1.786  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.752  -3.588  -0.621  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.873  -3.438  -1.995  1.00  0.00           H  
HETATM   78  H   UNL     1     -12.140  -2.805  -0.057  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.830  -3.626   0.825  1.00  0.00           H  
HETATM   80  H   UNL     1     -11.377  -2.013   1.344  1.00  0.00           H  
CONECT    1    2   45   46   47                                       
CONECT    2    1    7                                                 
CONECT    3    4   48   49                                            
CONECT    4    3    5    5    6                                       
CONECT    5    4    4                                                 
CONECT    6    4    8                                                 
CONECT    7    2    8   13   50                                       
CONECT    8    6    7    9   51                                       
CONECT    9    8   10   11   52                                       
CONECT   10    9   53                                                 
CONECT   11    9   12   16   54                                       
CONECT   12   11   13                                                 
CONECT   13    7   12   14   15                                       
CONECT   14   13   55   56   57                                       
CONECT   15   13   58   59   60                                       
CONECT   16   11   17                                                 
CONECT   17   16   18   18   23                                       
CONECT   18   17   17   19   20                                       
CONECT   19   18   61   62   63                                       
CONECT   20   18   21   21   24                                       
CONECT   21   20   20   22   28                                       
CONECT   22   21   23   23   64                                       
CONECT   23   17   22   22   65                                       
CONECT   24   20   25                                                 
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   28   30                                       
CONECT   28   21   27   27   29                                       
CONECT   29   28   66                                                 
CONECT   30   27   31   67                                            
CONECT   31   30   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   34   34   39                                       
CONECT   34   33   33   35   68                                       
CONECT   35   34   36   36   40                                       
CONECT   36   35   35   37   38                                       
CONECT   37   36   69                                                 
CONECT   38   36   39   39   70                                       
CONECT   39   33   38   38   71                                       
CONECT   40   35   41   72   73                                       
CONECT   41   40   42   42   74                                       
CONECT   42   41   41   43   44                                       
CONECT   43   42   75   76   77                                       
CONECT   44   42   78   79   80                                       
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   34                                                      
CONECT   69   37                                                      
CONECT   70   38                                                      
CONECT   71   39                                                      
CONECT   72   40                                                      
CONECT   73   40                                                      
CONECT   74   41                                                      
CONECT   75   43                                                      
CONECT   76   43                                                      
CONECT   77   43                                                      
CONECT   78   44                                                      
CONECT   79   44                                                      
CONECT   80   44                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
