COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.120  -1.254   0.377  1.00  0.00           C  
HETATM    2  O   UNL     1       1.809  -2.230   0.298  1.00  0.00           O  
HETATM    3  C   UNL     1       8.307  -1.566   0.117  1.00  0.00           C  
HETATM    4  C   UNL     1       6.922  -2.212   0.186  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.805   0.173   0.822  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.937  -1.846  -0.385  1.00  0.00           C  
HETATM    7  C   UNL     1       8.451  -0.807  -1.204  1.00  0.00           C  
HETATM    8  C   UNL     1       7.377   0.279  -1.288  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.355  -1.268  -0.488  1.00  0.00           C  
HETATM   10  C   UNL     1       4.463  -1.771   0.171  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.450  -2.111   1.574  1.00  0.00           C  
HETATM   12  C   UNL     1       9.381  -2.652   0.201  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.287  -2.068   0.178  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.686  -2.559   1.432  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.671  -0.683  -1.691  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.281   0.073   0.919  1.00  0.00           C  
HETATM   17  C   UNL     1       1.079   0.014   0.316  1.00  0.00           C  
HETATM   18  C   UNL     1       2.134  -1.062   0.275  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.921  -0.887  -2.252  1.00  0.00           C  
HETATM   20  C   UNL     1       1.179   0.874  -0.946  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.853  -1.677  -1.603  1.00  0.00           C  
HETATM   22  C   UNL     1       0.208   2.022  -0.849  1.00  0.00           C  
HETATM   23  C   UNL     1       0.445   3.311  -0.193  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.036   2.060  -1.351  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.738   4.054  -0.359  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.583   0.159   1.746  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.707  -1.877   0.529  1.00  0.00           C  
HETATM   28  C   UNL     1       5.848  -1.125   0.102  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.545  -2.268  -0.395  1.00  0.00           C  
HETATM   30  C   UNL     1       1.526   3.866   0.492  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.814   5.340   0.167  1.00  0.00           C  
HETATM   32  C   UNL     1       1.430   5.131   1.000  1.00  0.00           C  
HETATM   33  C   UNL     1       0.265   5.869   0.840  1.00  0.00           C  
HETATM   34  C   UNL     1       5.991  -0.367  -1.219  1.00  0.00           C  
HETATM   35  N   UNL     1      -2.479  -0.526   1.060  1.00  0.00           N  
HETATM   36  N   UNL     1       3.438  -0.726   0.211  1.00  0.00           N  
HETATM   37  N   UNL     1      -0.247  -0.605   0.382  1.00  0.00           N  
HETATM   38  N   UNL     1      10.709  -2.025   0.255  1.00  0.00           N  
HETATM   39  N   UNL     1      -1.618   3.266  -1.066  1.00  0.00           N  
HETATM   40  O   UNL     1      -1.132   1.226   1.276  1.00  0.00           O  
HETATM   41  H   UNL     1       8.427  -0.872   0.949  1.00  0.00           H  
HETATM   42  H   UNL     1       6.803  -2.906  -0.646  1.00  0.00           H  
HETATM   43  H   UNL     1       6.820  -2.752   1.127  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.593   0.788  -0.052  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.661   0.585   1.357  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.179  -2.861  -0.702  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.724  -1.233  -1.260  1.00  0.00           H  
HETATM   48  H   UNL     1       9.438  -0.347  -1.254  1.00  0.00           H  
HETATM   49  H   UNL     1       8.332  -1.501  -2.036  1.00  0.00           H  
HETATM   50  H   UNL     1       7.496   0.973  -0.456  1.00  0.00           H  
HETATM   51  H   UNL     1       7.479   0.819  -2.229  1.00  0.00           H  
HETATM   52  H   UNL     1       4.309  -2.397  -0.708  1.00  0.00           H  
HETATM   53  H   UNL     1       4.392  -2.384   1.070  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.791  -2.323   2.402  1.00  0.00           H  
HETATM   55  H   UNL     1       9.225  -3.249   1.099  1.00  0.00           H  
HETATM   56  H   UNL     1       9.318  -3.294  -0.678  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.189  -3.200   2.141  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.945  -0.066  -2.199  1.00  0.00           H  
HETATM   59  H   UNL     1       1.233   0.640   1.195  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.169  -0.428  -3.198  1.00  0.00           H  
HETATM   61  H   UNL     1       2.193   1.263  -1.042  1.00  0.00           H  
HETATM   62  H   UNL     1       0.938   0.267  -1.819  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.826  -1.832  -2.044  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.509   1.259  -1.900  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.289   1.183   1.979  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.826  -0.372   2.667  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.882  -2.569   1.353  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.836  -2.200  -0.041  1.00  0.00           H  
HETATM   69  H   UNL     1       5.967  -0.431   0.934  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.276  -2.884   0.107  1.00  0.00           H  
HETATM   71  H   UNL     1       2.436   3.298   0.621  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.716   5.922   0.047  1.00  0.00           H  
HETATM   73  H   UNL     1       2.267   5.561   1.530  1.00  0.00           H  
HETATM   74  H   UNL     1       0.205   6.867   1.247  1.00  0.00           H  
HETATM   75  H   UNL     1       5.226   0.407  -1.279  1.00  0.00           H  
HETATM   76  H   UNL     1       5.872  -1.061  -2.051  1.00  0.00           H  
HETATM   77  H   UNL     1       3.697   0.209   0.192  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.381  -1.502   0.039  1.00  0.00           H  
HETATM   79  H   UNL     1      10.771  -1.375   1.024  1.00  0.00           H  
HETATM   80  H   UNL     1      11.436  -2.722   0.311  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.516   3.526  -1.324  1.00  0.00           H  
CONECT    1    5    9   11    6                                       
CONECT    2   18   18                                                 
CONECT    3   12    4    7   41                                       
CONECT    4    3   28   42   43                                       
CONECT    5   26    1   44   45                                       
CONECT    6    1   27   46   47                                       
CONECT    7    3    8   48   49                                       
CONECT    8    7   34   50   51                                       
CONECT    9   15   15    1   13                                       
CONECT   10   28   36   52   53                                       
CONECT   11    1   14   14   54                                       
CONECT   12   38    3   55   56                                       
CONECT   13    9   29   29   14                                       
CONECT   14   11   11   13   57                                       
CONECT   15   19    9    9   58                                       
CONECT   16   37   35   40   40                                       
CONECT   17   20   18   37   59                                       
CONECT   18    2    2   17   36                                       
CONECT   19   15   21   21   60                                       
CONECT   20   22   17   61   62                                       
CONECT   21   19   19   29   63                                       
CONECT   22   23   20   24   24                                       
CONECT   23   30   30   25   22                                       
CONECT   24   22   22   39   64                                       
CONECT   25   31   31   23   39                                       
CONECT   26    5   35   65   66                                       
CONECT   27   35    6   67   68                                       
CONECT   28    4   10   34   69                                       
CONECT   29   21   13   13   70                                       
CONECT   30   32   23   23   71                                       
CONECT   31   33   25   25   72                                       
CONECT   32   33   33   30   73                                       
CONECT   33   32   32   31   74                                       
CONECT   34   28    8   75   76                                       
CONECT   35   26   16   27                                            
CONECT   36   18   10   77                                            
CONECT   37   17   16   78                                            
CONECT   38   12   79   80                                            
CONECT   39   25   24   81                                            
CONECT   40   16   16                                                 
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   17                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   24                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   36                                                      
CONECT   78   37                                                      
CONECT   79   38                                                      
CONECT   80   38                                                      
CONECT   81   39                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
