COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.370  -3.575   2.516  1.00  0.00           C  
HETATM    2  C   UNL     1       4.857  -2.853   1.442  1.00  0.00           C  
HETATM    3  C   UNL     1       5.754  -1.822   1.652  1.00  0.00           C  
HETATM    4  C   UNL     1       6.284  -1.036   0.481  1.00  0.00           C  
HETATM    5  C   UNL     1       5.367   0.159   0.212  1.00  0.00           C  
HETATM    6  C   UNL     1       7.306   1.579  -0.471  1.00  0.00           C  
HETATM    7  C   UNL     1       1.593  -0.041  -0.394  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.693   0.622   0.129  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.976   3.098  -0.181  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.767   1.746   0.453  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.759   0.904   0.855  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.224   1.016   0.812  1.00  0.00           C  
HETATM   13  C   UNL     1      -9.997   0.040   1.276  1.00  0.00           C  
HETATM   14  C   UNL     1      -9.373  -1.204   1.857  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.867  -1.320   1.901  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.114  -0.304   1.418  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.669  -0.100   1.313  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.471   1.133   0.726  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.161   1.738   0.430  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.098   2.875   0.003  1.00  0.00           O  
HETATM   21  N   UNL     1      -3.031   1.032   0.634  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.725   1.671   0.452  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.329   2.397   1.739  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.016  -0.545   0.058  1.00  0.00           O  
HETATM   25  N   UNL     1       0.589   0.979  -0.080  1.00  0.00           N  
HETATM   26  C   UNL     1       1.579  -0.324  -1.898  1.00  0.00           C  
HETATM   27  C   UNL     1       0.256  -0.934  -2.282  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.795  -0.120  -2.660  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.009  -0.677  -3.013  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.173  -2.055  -2.988  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.366  -2.605  -3.335  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.462  -4.030  -3.286  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.116  -2.869  -2.609  1.00  0.00           C  
HETATM   34  C   UNL     1       0.098  -2.308  -2.262  1.00  0.00           C  
HETATM   35  C   UNL     1       2.957   0.454   0.012  1.00  0.00           C  
HETATM   36  O   UNL     1       3.079   1.551   0.514  1.00  0.00           O  
HETATM   37  N   UNL     1       4.041  -0.322  -0.183  1.00  0.00           N  
HETATM   38  C   UNL     1       4.776  -3.263   3.800  1.00  0.00           C  
HETATM   39  C   UNL     1       5.672  -2.231   4.009  1.00  0.00           C  
HETATM   40  C   UNL     1       6.164  -1.513   2.935  1.00  0.00           C  
HETATM   41  C   UNL     1       5.957   1.011  -0.914  1.00  0.00           C  
HETATM   42  O   UNL     1       5.064   2.085  -1.216  1.00  0.00           O  
HETATM   43  C   UNL     1       7.097   2.529   0.710  1.00  0.00           C  
HETATM   44  C   UNL     1       7.944   2.343  -1.633  1.00  0.00           C  
HETATM   45  O   UNL     1       9.260   2.760  -1.263  1.00  0.00           O  
HETATM   46  H   UNL     1       3.670  -4.381   2.352  1.00  0.00           H  
HETATM   47  H   UNL     1       4.536  -3.095   0.439  1.00  0.00           H  
HETATM   48  H   UNL     1       7.289  -0.679   0.709  1.00  0.00           H  
HETATM   49  H   UNL     1       6.317  -1.675  -0.401  1.00  0.00           H  
HETATM   50  H   UNL     1       5.281   0.762   1.116  1.00  0.00           H  
HETATM   51  H   UNL     1       7.962   0.763  -0.169  1.00  0.00           H  
HETATM   52  H   UNL     1       1.362  -0.957   0.150  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.935   3.869   0.587  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.193   3.277  -0.919  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.949   3.123  -0.671  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.678   1.904   0.398  1.00  0.00           H  
HETATM   57  H   UNL     1     -11.071   0.138   1.238  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.739  -1.309   2.878  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.750  -2.056   1.290  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.398  -2.201   2.312  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.900  -0.789   1.631  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.082   0.101   0.901  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.782   2.388  -0.367  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.272   1.680   2.558  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.357   2.872   1.604  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.075   3.156   1.973  1.00  0.00           H  
HETATM   67  H   UNL     1       0.848   1.912  -0.023  1.00  0.00           H  
HETATM   68  H   UNL     1       1.722   0.608  -2.444  1.00  0.00           H  
HETATM   69  H   UNL     1       2.384  -1.016  -2.144  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.668   0.952  -2.680  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.831  -0.041  -3.308  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.729  -4.467  -3.965  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.266  -4.372  -2.270  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.464  -4.337  -3.586  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.241  -3.942  -2.588  1.00  0.00           H  
HETATM   76  H   UNL     1       0.922  -2.942  -1.971  1.00  0.00           H  
HETATM   77  H   UNL     1       3.943  -1.200  -0.584  1.00  0.00           H  
HETATM   78  H   UNL     1       4.393  -3.824   4.639  1.00  0.00           H  
HETATM   79  H   UNL     1       5.989  -1.987   5.012  1.00  0.00           H  
HETATM   80  H   UNL     1       6.864  -0.708   3.099  1.00  0.00           H  
HETATM   81  H   UNL     1       6.096   0.394  -1.802  1.00  0.00           H  
HETATM   82  H   UNL     1       4.186   1.798  -1.505  1.00  0.00           H  
HETATM   83  H   UNL     1       8.059   2.934   1.026  1.00  0.00           H  
HETATM   84  H   UNL     1       6.441   3.345   0.408  1.00  0.00           H  
HETATM   85  H   UNL     1       6.642   1.985   1.538  1.00  0.00           H  
HETATM   86  H   UNL     1       8.001   1.694  -2.507  1.00  0.00           H  
HETATM   87  H   UNL     1       7.339   3.218  -1.869  1.00  0.00           H  
HETATM   88  H   UNL     1       9.725   3.252  -1.954  1.00  0.00           H  
CONECT    1    2    2   38   46                                       
CONECT    2    3    1    1   47                                       
CONECT    3    4   40   40    2                                       
CONECT    4    5    3   48   49                                       
CONECT    5   41    4   37   50                                       
CONECT    6   41   43   44   51                                       
CONECT    7   35   26   25   52                                       
CONECT    8   25   24   24   22                                       
CONECT    9   10   53   54   55                                       
CONECT   10   18    9   11   11                                       
CONECT   11   10   10   16   12                                       
CONECT   12   11   13   13   56                                       
CONECT   13   12   12   14   57                                       
CONECT   14   15   13   58   59                                       
CONECT   15   16   16   14   60                                       
CONECT   16   17   11   15   15                                       
CONECT   17   18   18   16   61                                       
CONECT   18   19   17   17   10                                       
CONECT   19   21   20   20   18                                       
CONECT   20   19   19                                                 
CONECT   21   22   19   62                                            
CONECT   22    8   23   21   63                                       
CONECT   23   22   64   65   66                                       
CONECT   24    8    8                                                 
CONECT   25    7    8   67                                            
CONECT   26    7   27   68   69                                       
CONECT   27   26   34   28   28                                       
CONECT   28   27   27   29   70                                       
CONECT   29   28   30   30   71                                       
CONECT   30   33   29   29   31                                       
CONECT   31   30   32                                                 
CONECT   32   31   72   73   74                                       
CONECT   33   34   34   30   75                                       
CONECT   34   27   33   33   76                                       
CONECT   35   37   36   36    7                                       
CONECT   36   35   35                                                 
CONECT   37    5   35   77                                            
CONECT   38   39   39    1   78                                       
CONECT   39   40   38   38   79                                       
CONECT   40    3    3   39   80                                       
CONECT   41    6   42    5   81                                       
CONECT   42   41   82                                                 
CONECT   43    6   83   84   85                                       
CONECT   44    6   45   86   87                                       
CONECT   45   44   88                                                 
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55    9                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   17                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   32                                                      
CONECT   73   32                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
CONECT   81   41                                                      
CONECT   82   42                                                      
CONECT   83   43                                                      
CONECT   84   43                                                      
CONECT   85   43                                                      
CONECT   86   44                                                      
CONECT   87   44                                                      
CONECT   88   45                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
