COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.330   1.837   0.543  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.337  -0.567   0.234  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.279   2.944   0.974  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.306   4.278   0.871  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.607  -1.884   0.171  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.125   1.841   1.124  1.00  0.00           C  
HETATM    7  C   UNL     1       2.501   2.284  -1.569  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.057  -1.956  -1.651  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.755  -2.141  -0.305  1.00  0.00           C  
HETATM   10  C   UNL     1     -10.210  -1.111   0.694  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.737  -1.403   0.891  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.941  -1.723  -0.299  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.565  -1.988  -1.495  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.473  -1.758  -0.213  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.718  -0.517   0.050  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.390   0.711   0.110  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.707   1.867   0.357  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.641   0.610   0.481  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.181   0.618   0.683  1.00  0.00           C  
HETATM   20  C   UNL     1       0.565   2.033  -0.202  1.00  0.00           C  
HETATM   21  C   UNL     1       4.024   2.334  -1.433  1.00  0.00           C  
HETATM   22  C   UNL     1       5.848   0.942  -0.802  1.00  0.00           C  
HETATM   23  C   UNL     1       6.422  -0.334  -0.340  1.00  0.00           C  
HETATM   24  C   UNL     1       7.886  -0.406  -0.177  1.00  0.00           C  
HETATM   25  C   UNL     1       8.702   0.784  -0.480  1.00  0.00           C  
HETATM   26  C   UNL     1       8.105   1.879  -0.887  1.00  0.00           C  
HETATM   27  C   UNL     1       6.648   1.957  -1.051  1.00  0.00           C  
HETATM   28  C   UNL     1       8.449  -1.510   0.230  1.00  0.00           C  
HETATM   29  C   UNL     1       9.911  -1.590   0.395  1.00  0.00           C  
HETATM   30  C   UNL     1      10.733  -0.406   0.094  1.00  0.00           C  
HETATM   31  C   UNL     1      10.164   0.711  -0.318  1.00  0.00           C  
HETATM   32  C   UNL     1       7.625  -2.696   0.532  1.00  0.00           C  
HETATM   33  C   UNL     1       8.320  -3.912   0.988  1.00  0.00           C  
HETATM   34  C   UNL     1       9.630  -3.900   1.109  1.00  0.00           C  
HETATM   35  C   UNL     1      10.446  -2.716   0.807  1.00  0.00           C  
HETATM   36  C   UNL     1       5.685  -1.386  -0.073  1.00  0.00           C  
HETATM   37  C   UNL     1       6.322  -2.637   0.389  1.00  0.00           C  
HETATM   38  N   UNL     1      -3.610   2.991   0.796  1.00  0.00           N  
HETATM   39  N   UNL     1      -1.575   1.803   0.919  1.00  0.00           N  
HETATM   40  O   UNL     1      -7.812  -2.289  -2.563  1.00  0.00           O  
HETATM   41  O   UNL     1      -5.881  -2.811  -0.358  1.00  0.00           O  
HETATM   42  O   UNL     1      -1.539  -0.413   0.640  1.00  0.00           O  
HETATM   43  O   UNL     1      -1.685   3.982   1.194  1.00  0.00           O  
HETATM   44  O   UNL     1       1.904   2.098  -0.258  1.00  0.00           O  
HETATM   45  O   UNL     1      -0.088   2.128  -1.214  1.00  0.00           O  
HETATM   46  O   UNL     1       4.503   1.068  -0.977  1.00  0.00           O  
HETATM   47  O   UNL     1      -8.233  -1.374   1.994  1.00  0.00           O  
HETATM   48  H   UNL     1      -4.619   4.463   1.898  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.635   5.073   0.546  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.182   4.254   0.223  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.323  -2.093  -0.860  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.712  -1.834   0.792  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.259  -2.678   0.536  1.00  0.00           H  
HETATM   54  H   UNL     1       0.203   0.903   1.572  1.00  0.00           H  
HETATM   55  H   UNL     1       0.126   2.668   1.788  1.00  0.00           H  
HETATM   56  H   UNL     1       2.144   3.219  -2.001  1.00  0.00           H  
HETATM   57  H   UNL     1       2.220   1.454  -2.217  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.364  -2.755  -2.326  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.351  -0.996  -2.076  1.00  0.00           H  
HETATM   60  H   UNL     1     -11.829  -1.995  -0.428  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.564  -3.147   0.069  1.00  0.00           H  
HETATM   62  H   UNL     1     -10.338  -0.105   0.295  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.737  -1.202   1.644  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.460   0.742  -0.034  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.237   2.807   0.409  1.00  0.00           H  
HETATM   66  H   UNL     1       4.467   2.562  -2.403  1.00  0.00           H  
HETATM   67  H   UNL     1       4.300   3.107  -0.716  1.00  0.00           H  
HETATM   68  H   UNL     1       8.704   2.751  -1.109  1.00  0.00           H  
HETATM   69  H   UNL     1       6.214   2.886  -1.390  1.00  0.00           H  
HETATM   70  H   UNL     1      11.806  -0.451   0.212  1.00  0.00           H  
HETATM   71  H   UNL     1      10.773   1.576  -0.537  1.00  0.00           H  
HETATM   72  H   UNL     1       7.760  -4.806   1.221  1.00  0.00           H  
HETATM   73  H   UNL     1      10.127  -4.798   1.445  1.00  0.00           H  
HETATM   74  H   UNL     1      11.517  -2.774   0.928  1.00  0.00           H  
HETATM   75  H   UNL     1       4.613  -1.337  -0.191  1.00  0.00           H  
HETATM   76  H   UNL     1       5.715  -3.503   0.608  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.859  -2.369  -2.419  1.00  0.00           H  
CONECT    1   18   18   17   38                                       
CONECT    2    5   15   15   18                                       
CONECT    3   39   38   43   43                                       
CONECT    4   38   48   49   50                                       
CONECT    5    2   51   52   53                                       
CONECT    6   39   20   54   55                                       
CONECT    7   44   21   56   57                                       
CONECT    8   13    9   58   59                                       
CONECT    9    8   10   60   61                                       
CONECT   10   11    9   62   63                                       
CONECT   11   12   47   47   10                                       
CONECT   12   13   13   14   11                                       
CONECT   13   40    8   12   12                                       
CONECT   14   41   41   12   15                                       
CONECT   15   14    2    2   16                                       
CONECT   16   15   17   17   64                                       
CONECT   17   16   16    1   65                                       
CONECT   18    2   19    1    1                                       
CONECT   19   42   42   18   39                                       
CONECT   20   44    6   45   45                                       
CONECT   21    7   46   66   67                                       
CONECT   22   46   27   27   23                                       
CONECT   23   22   36   36   24                                       
CONECT   24   23   25   28   28                                       
CONECT   25   26   26   24   31                                       
CONECT   26   27   25   25   68                                       
CONECT   27   22   22   26   69                                       
CONECT   28   24   24   32   29                                       
CONECT   29   28   30   35   35                                       
CONECT   30   31   31   29   70                                       
CONECT   31   25   30   30   71                                       
CONECT   32   37   37   28   33                                       
CONECT   33   32   34   34   72                                       
CONECT   34   33   33   35   73                                       
CONECT   35   29   29   34   74                                       
CONECT   36   23   23   37   75                                       
CONECT   37   36   32   32   76                                       
CONECT   38    1    3    4                                            
CONECT   39   19    6    3                                            
CONECT   40   13   77                                                 
CONECT   41   14   14                                                 
CONECT   42   19   19                                                 
CONECT   43    3    3                                                 
CONECT   44   20    7                                                 
CONECT   45   20   20                                                 
CONECT   46   21   22                                                 
CONECT   47   11   11                                                 
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58    8                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61    9                                                      
CONECT   62   10                                                      
CONECT   63   10                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
CONECT   77   40                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
