COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.523   0.712  -1.297  1.00  0.00           C  
HETATM    2  C   UNL     1       5.699  -0.476  -2.267  1.00  0.00           C  
HETATM    3  C   UNL     1       7.168  -0.784  -2.406  1.00  0.00           C  
HETATM    4  C   UNL     1       7.644  -1.865  -1.416  1.00  0.00           C  
HETATM    5  C   UNL     1       7.032  -1.675  -0.018  1.00  0.00           C  
HETATM    6  C   UNL     1       6.999  -0.221   0.381  1.00  0.00           C  
HETATM    7  N   UNL     1       5.668   0.318   0.037  1.00  0.00           N  
HETATM    8  C   UNL     1       5.287   1.403   0.951  1.00  0.00           C  
HETATM    9  C   UNL     1       3.762   1.518   0.997  1.00  0.00           C  
HETATM   10  O   UNL     1       3.210   0.319   1.544  1.00  0.00           O  
HETATM   11  C   UNL     1       1.857   0.257   1.655  1.00  0.00           C  
HETATM   12  C   UNL     1       1.254  -0.877   2.178  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.122  -0.937   2.290  1.00  0.00           C  
HETATM   14  C   UNL     1       1.077   1.332   1.252  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.298   1.267   1.367  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.897   0.132   1.883  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.397   0.064   2.006  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.963  -0.494   0.775  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.187  -1.836   0.541  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.978  -2.981   1.301  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.309  -4.217   0.791  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.853  -4.335  -0.486  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.173  -5.563  -0.974  1.00  0.00           O  
HETATM   24  C   UNL     1      -4.069  -3.211  -1.257  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.737  -1.951  -0.749  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.831  -0.592  -1.279  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.359  -0.191  -2.633  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.357   0.241  -0.319  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.269   1.712  -0.434  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.770   2.294  -1.601  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.689   3.667  -1.704  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.104   4.470  -0.650  1.00  0.00           C  
HETATM   33  O   UNL     1      -3.024   5.822  -0.756  1.00  0.00           O  
HETATM   34  C   UNL     1      -3.602   3.895   0.512  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.690   2.523   0.621  1.00  0.00           C  
HETATM   36  H   UNL     1       6.270   1.472  -1.526  1.00  0.00           H  
HETATM   37  H   UNL     1       4.530   1.138  -1.435  1.00  0.00           H  
HETATM   38  H   UNL     1       5.180  -1.349  -1.873  1.00  0.00           H  
HETATM   39  H   UNL     1       5.286  -0.215  -3.242  1.00  0.00           H  
HETATM   40  H   UNL     1       7.362  -1.127  -3.423  1.00  0.00           H  
HETATM   41  H   UNL     1       7.738   0.129  -2.229  1.00  0.00           H  
HETATM   42  H   UNL     1       7.358  -2.845  -1.798  1.00  0.00           H  
HETATM   43  H   UNL     1       8.730  -1.820  -1.337  1.00  0.00           H  
HETATM   44  H   UNL     1       6.014  -2.066  -0.019  1.00  0.00           H  
HETATM   45  H   UNL     1       7.625  -2.230   0.709  1.00  0.00           H  
HETATM   46  H   UNL     1       7.167  -0.129   1.454  1.00  0.00           H  
HETATM   47  H   UNL     1       7.770   0.327  -0.161  1.00  0.00           H  
HETATM   48  H   UNL     1       5.666   1.186   1.950  1.00  0.00           H  
HETATM   49  H   UNL     1       5.712   2.342   0.597  1.00  0.00           H  
HETATM   50  H   UNL     1       3.481   2.366   1.622  1.00  0.00           H  
HETATM   51  H   UNL     1       3.378   1.668  -0.012  1.00  0.00           H  
HETATM   52  H   UNL     1       1.859  -1.713   2.496  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.591  -1.821   2.697  1.00  0.00           H  
HETATM   54  H   UNL     1       1.545   2.218   0.849  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.905   2.102   1.053  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.664  -0.573   2.849  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.795   1.066   2.167  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.556  -2.901   2.292  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.144  -5.103   1.387  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.454  -5.996  -1.454  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.491  -3.305  -2.247  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.431  -0.006  -2.564  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.854   0.715  -2.966  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.174  -0.994  -3.347  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.446   1.671  -2.421  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.303   4.118  -2.606  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.816   6.235  -1.125  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.924   4.523   1.329  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.081   2.077   1.523  1.00  0.00           H  
CONECT    1    2    7   36   37                                       
CONECT    2    3    1   38   39                                       
CONECT    3    4    2   40   41                                       
CONECT    4    3    5   42   43                                       
CONECT    5    4    6   44   45                                       
CONECT    6    5    7   46   47                                       
CONECT    7    6    1    8                                            
CONECT    8    7    9   48   49                                       
CONECT    9    8   10   50   51                                       
CONECT   10    9   11                                                 
CONECT   11   10   14   14   12                                       
CONECT   12   11   13   13   52                                       
CONECT   13   12   12   16   53                                       
CONECT   14   11   11   15   54                                       
CONECT   15   14   16   16   55                                       
CONECT   16   15   15   13   17                                       
CONECT   17   16   18   56   57                                       
CONECT   18   19   28   17                                            
CONECT   19   25   25   20   18                                       
CONECT   20   21   21   19   58                                       
CONECT   21   22   20   20   59                                       
CONECT   22   23   24   24   21                                       
CONECT   23   22   60                                                 
CONECT   24   22   22   25   61                                       
CONECT   25   24   26   19   19                                       
CONECT   26   25   27   28   28                                       
CONECT   27   26   62   63   64                                       
CONECT   28   26   26   18   29                                       
CONECT   29   28   35   35   30                                       
CONECT   30   29   31   31   65                                       
CONECT   31   30   30   32   66                                       
CONECT   32   34   34   33   31                                       
CONECT   33   32   67                                                 
CONECT   34   35   32   32   68                                       
CONECT   35   29   29   34   69                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   27                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
