COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.423   7.121   1.067  1.00  0.00           C  
HETATM    2  C   UNL     1       6.796   7.812   1.259  1.00  0.00           C  
HETATM    3  C   UNL     1       7.778   6.620   1.321  1.00  0.00           C  
HETATM    4  C   UNL     1       7.045   5.459   0.624  1.00  0.00           C  
HETATM    5  N   UNL     1       5.739   5.981   0.169  1.00  0.00           N  
HETATM    6  C   UNL     1       4.701   4.945   0.248  1.00  0.00           C  
HETATM    7  C   UNL     1       4.923   3.914  -0.861  1.00  0.00           C  
HETATM    8  C   UNL     1       3.859   2.851  -0.779  1.00  0.00           C  
HETATM    9  O   UNL     1       3.005   2.911   0.081  1.00  0.00           O  
HETATM   10  N   UNL     1       3.854   1.832  -1.662  1.00  0.00           N  
HETATM   11  C   UNL     1       2.922   0.800  -1.533  1.00  0.00           C  
HETATM   12  C   UNL     1       1.653   1.091  -1.087  1.00  0.00           C  
HETATM   13  C   UNL     1       3.297  -0.507  -1.865  1.00  0.00           C  
HETATM   14  C   UNL     1       2.426  -1.543  -1.756  1.00  0.00           C  
HETATM   15  C   UNL     1       1.116  -1.309  -1.301  1.00  0.00           C  
HETATM   16  C   UNL     1       0.189  -2.361  -1.177  1.00  0.00           C  
HETATM   17  N   UNL     1       0.534  -3.657  -1.497  1.00  0.00           N  
HETATM   18  C   UNL     1       1.437  -4.360  -0.691  1.00  0.00           C  
HETATM   19  C   UNL     1       1.499  -4.102   0.672  1.00  0.00           C  
HETATM   20  C   UNL     1       2.389  -4.795   1.467  1.00  0.00           C  
HETATM   21  C   UNL     1       3.224  -5.751   0.903  1.00  0.00           C  
HETATM   22  N   UNL     1       4.127  -6.454   1.708  1.00  0.00           N  
HETATM   23  C   UNL     1       4.111  -6.268   3.161  1.00  0.00           C  
HETATM   24  C   UNL     1       5.089  -7.376   1.098  1.00  0.00           C  
HETATM   25  C   UNL     1       3.163  -6.010  -0.461  1.00  0.00           C  
HETATM   26  C   UNL     1       2.269  -5.320  -1.254  1.00  0.00           C  
HETATM   27  C   UNL     1       0.710   0.054  -0.956  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.525   0.310  -0.526  1.00  0.00           N  
HETATM   29  C   UNL     1      -1.434  -0.656  -0.394  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.733  -0.362   0.061  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.103  -2.045  -0.714  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.086  -3.039  -0.564  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.326  -2.701  -0.124  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.653  -1.377   0.189  1.00  0.00           C  
HETATM   35  N   UNL     1      -4.941  -1.080   0.641  1.00  0.00           N  
HETATM   36  C   UNL     1      -5.521   0.088   0.303  1.00  0.00           C  
HETATM   37  O   UNL     1      -4.969   0.836  -0.477  1.00  0.00           O  
HETATM   38  C   UNL     1      -6.854   0.466   0.894  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.285   1.830   0.350  1.00  0.00           C  
HETATM   40  N   UNL     1      -8.585   2.198   0.926  1.00  0.00           N  
HETATM   41  C   UNL     1      -9.661   1.329   0.405  1.00  0.00           C  
HETATM   42  C   UNL     1     -10.910   2.244   0.333  1.00  0.00           C  
HETATM   43  C   UNL     1     -10.284   3.592  -0.110  1.00  0.00           C  
HETATM   44  C   UNL     1      -8.923   3.600   0.616  1.00  0.00           C  
HETATM   45  H   UNL     1       5.036   6.762   2.021  1.00  0.00           H  
HETATM   46  H   UNL     1       4.713   7.799   0.594  1.00  0.00           H  
HETATM   47  H   UNL     1       7.025   8.457   0.410  1.00  0.00           H  
HETATM   48  H   UNL     1       6.815   8.380   2.189  1.00  0.00           H  
HETATM   49  H   UNL     1       8.698   6.860   0.790  1.00  0.00           H  
HETATM   50  H   UNL     1       7.996   6.363   2.358  1.00  0.00           H  
HETATM   51  H   UNL     1       7.626   5.114  -0.232  1.00  0.00           H  
HETATM   52  H   UNL     1       6.893   4.640   1.327  1.00  0.00           H  
HETATM   53  H   UNL     1       4.753   4.451   1.219  1.00  0.00           H  
HETATM   54  H   UNL     1       3.719   5.403   0.126  1.00  0.00           H  
HETATM   55  H   UNL     1       4.871   4.407  -1.831  1.00  0.00           H  
HETATM   56  H   UNL     1       5.905   3.455  -0.738  1.00  0.00           H  
HETATM   57  H   UNL     1       4.499   1.816  -2.387  1.00  0.00           H  
HETATM   58  H   UNL     1       1.383   2.107  -0.840  1.00  0.00           H  
HETATM   59  H   UNL     1       4.301  -0.695  -2.216  1.00  0.00           H  
HETATM   60  H   UNL     1       2.737  -2.543  -2.018  1.00  0.00           H  
HETATM   61  H   UNL     1       0.151  -4.082  -2.280  1.00  0.00           H  
HETATM   62  H   UNL     1       0.850  -3.358   1.111  1.00  0.00           H  
HETATM   63  H   UNL     1       2.437  -4.594   2.527  1.00  0.00           H  
HETATM   64  H   UNL     1       3.429  -6.989   3.612  1.00  0.00           H  
HETATM   65  H   UNL     1       5.114  -6.420   3.558  1.00  0.00           H  
HETATM   66  H   UNL     1       3.777  -5.257   3.394  1.00  0.00           H  
HETATM   67  H   UNL     1       5.016  -7.310   0.012  1.00  0.00           H  
HETATM   68  H   UNL     1       6.098  -7.108   1.412  1.00  0.00           H  
HETATM   69  H   UNL     1       4.867  -8.395   1.416  1.00  0.00           H  
HETATM   70  H   UNL     1       3.812  -6.753  -0.899  1.00  0.00           H  
HETATM   71  H   UNL     1       2.218  -5.523  -2.314  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.006   0.653   0.309  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.855  -4.069  -0.797  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.075  -3.472  -0.012  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.418  -1.715   1.198  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.597  -0.284   0.624  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.769   0.519   1.980  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.542   2.580   0.620  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.371   1.778  -0.735  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.404   0.960  -0.588  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.840   0.496   1.086  1.00  0.00           H  
HETATM   82  H   UNL     1     -11.619   1.879  -0.410  1.00  0.00           H  
HETATM   83  H   UNL     1     -11.383   2.335   1.311  1.00  0.00           H  
HETATM   84  H   UNL     1     -10.145   3.616  -1.191  1.00  0.00           H  
HETATM   85  H   UNL     1     -10.901   4.429   0.218  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.997   4.176   1.538  1.00  0.00           H  
HETATM   87  H   UNL     1      -8.159   4.030  -0.032  1.00  0.00           H  
CONECT    1    5    2   45   46                                       
CONECT    2    1    3   47   48                                       
CONECT    3    2    4   49   50                                       
CONECT    4    3    5   51   52                                       
CONECT    5    1    4    6                                            
CONECT    6    5    7   53   54                                       
CONECT    7    6    8   55   56                                       
CONECT    8    7   10    9    9                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   57                                            
CONECT   11   10   12   12   13                                       
CONECT   12   11   11   27   58                                       
CONECT   13   11   14   14   59                                       
CONECT   14   13   13   15   60                                       
CONECT   15   14   27   16   16                                       
CONECT   16   15   15   31   17                                       
CONECT   17   16   18   61                                            
CONECT   18   17   19   19   26                                       
CONECT   19   18   18   20   62                                       
CONECT   20   19   21   21   63                                       
CONECT   21   20   20   22   25                                       
CONECT   22   21   24   23                                            
CONECT   23   22   64   65   66                                       
CONECT   24   22   67   68   69                                       
CONECT   25   21   26   26   70                                       
CONECT   26   18   25   25   71                                       
CONECT   27   12   15   28   28                                       
CONECT   28   27   27   29                                            
CONECT   29   28   30   30   31                                       
CONECT   30   29   29   34   72                                       
CONECT   31   16   29   32   32                                       
CONECT   32   31   31   33   73                                       
CONECT   33   32   34   34   74                                       
CONECT   34   30   33   33   35                                       
CONECT   35   34   36   75                                            
CONECT   36   35   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   39   76   77                                       
CONECT   39   38   40   78   79                                       
CONECT   40   39   41   44                                            
CONECT   41   40   42   80   81                                       
CONECT   42   41   43   82   83                                       
CONECT   43   42   44   84   85                                       
CONECT   44   40   43   86   87                                       
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57   10                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   17                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   30                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   35                                                      
CONECT   76   38                                                      
CONECT   77   38                                                      
CONECT   78   39                                                      
CONECT   79   39                                                      
CONECT   80   41                                                      
CONECT   81   41                                                      
CONECT   82   42                                                      
CONECT   83   42                                                      
CONECT   84   43                                                      
CONECT   85   43                                                      
CONECT   86   44                                                      
CONECT   87   44                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
