COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.617  -1.852   0.107  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.927  -1.594  -1.071  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.458  -0.712  -2.004  1.00  0.00           C  
HETATM    4  N   UNL     1       6.188  -1.167   2.138  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.852  -2.463  -0.299  1.00  0.00           C  
HETATM    6  C   UNL     1       0.487  -3.027  -0.571  1.00  0.00           C  
HETATM    7  N   UNL     1       4.492  -1.993   0.800  1.00  0.00           N  
HETATM    8  C   UNL     1       0.874  -3.309  -1.882  1.00  0.00           C  
HETATM    9  C   UNL     1       2.125  -3.835  -2.133  1.00  0.00           C  
HETATM   10  C   UNL     1       2.998  -4.084  -1.090  1.00  0.00           C  
HETATM   11  C   UNL     1       2.621  -3.806   0.217  1.00  0.00           C  
HETATM   12  N   UNL     1       5.456   0.075   0.299  1.00  0.00           N  
HETATM   13  C   UNL     1       1.370  -3.273   0.480  1.00  0.00           C  
HETATM   14  C   UNL     1       4.392  -3.088   1.545  1.00  0.00           C  
HETATM   15  C   UNL     1       5.232  -3.236   2.648  1.00  0.00           C  
HETATM   16  N   UNL     1       7.236   3.249  -0.151  1.00  0.00           N  
HETATM   17  O   UNL     1       8.503   3.812  -1.883  1.00  0.00           O  
HETATM   18  C   UNL     1       8.061   4.101  -0.791  1.00  0.00           C  
HETATM   19  C   UNL     1       8.436   5.412  -0.150  1.00  0.00           C  
HETATM   20  C   UNL     1       9.376   6.184  -1.079  1.00  0.00           C  
HETATM   21  C   UNL     1       6.795   1.937  -0.657  1.00  0.00           C  
HETATM   22  C   UNL     1       6.632   3.472   1.171  1.00  0.00           C  
HETATM   23  C   UNL     1       5.790   2.223   1.507  1.00  0.00           C  
HETATM   24  C   UNL     1       6.428   1.126   0.611  1.00  0.00           C  
HETATM   25  C   UNL     1       5.377  -1.053   1.097  1.00  0.00           C  
HETATM   26  C   UNL     1       6.142  -2.232   2.923  1.00  0.00           C  
HETATM   27  O   UNL     1       3.485  -4.047   1.239  1.00  0.00           O  
HETATM   28  C   UNL     1       4.362  -4.658  -1.373  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.187  -2.218   0.844  1.00  0.00           O  
HETATM   30  N   UNL     1      -1.702  -2.221  -1.317  1.00  0.00           N  
HETATM   31  C   UNL     1      -4.668  -0.095  -1.758  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.244   0.862  -2.769  1.00  0.00           C  
HETATM   33  F   UNL     1      -6.536   0.452  -3.115  1.00  0.00           F  
HETATM   34  F   UNL     1      -5.294   2.147  -2.219  1.00  0.00           F  
HETATM   35  F   UNL     1      -4.437   0.874  -3.912  1.00  0.00           F  
HETATM   36  C   UNL     1      -4.827  -1.231   0.347  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.352  -0.354  -0.584  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.673   0.321  -0.319  1.00  0.00           C  
HETATM   39  N   UNL     1      -6.440   1.724   0.052  1.00  0.00           N  
HETATM   40  C   UNL     1      -5.671   1.817   1.301  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.497   1.235   2.450  1.00  0.00           C  
HETATM   42  N   UNL     1      -7.766   1.968   2.560  1.00  0.00           N  
HETATM   43  C   UNL     1      -8.555   1.487   3.701  1.00  0.00           C  
HETATM   44  C   UNL     1      -9.739   2.428   3.935  1.00  0.00           C  
HETATM   45  C   UNL     1      -8.534   1.875   1.311  1.00  0.00           C  
HETATM   46  C   UNL     1      -7.708   2.457   0.161  1.00  0.00           C  
HETATM   47  H   UNL     1      -3.209  -2.541   0.832  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.924  -0.510  -2.920  1.00  0.00           H  
HETATM   49  H   UNL     1       0.195  -3.117  -2.700  1.00  0.00           H  
HETATM   50  H   UNL     1       2.424  -4.054  -3.148  1.00  0.00           H  
HETATM   51  H   UNL     1       4.867   0.170  -0.466  1.00  0.00           H  
HETATM   52  H   UNL     1       1.077  -3.056   1.497  1.00  0.00           H  
HETATM   53  H   UNL     1       5.174  -4.115   3.273  1.00  0.00           H  
HETATM   54  H   UNL     1       7.535   6.001   0.026  1.00  0.00           H  
HETATM   55  H   UNL     1       8.938   5.223   0.799  1.00  0.00           H  
HETATM   56  H   UNL     1       9.646   7.133  -0.615  1.00  0.00           H  
HETATM   57  H   UNL     1      10.276   5.595  -1.255  1.00  0.00           H  
HETATM   58  H   UNL     1       8.874   6.373  -2.028  1.00  0.00           H  
HETATM   59  H   UNL     1       5.922   2.052  -1.299  1.00  0.00           H  
HETATM   60  H   UNL     1       7.604   1.448  -1.199  1.00  0.00           H  
HETATM   61  H   UNL     1       7.414   3.604   1.919  1.00  0.00           H  
HETATM   62  H   UNL     1       5.992   4.354   1.142  1.00  0.00           H  
HETATM   63  H   UNL     1       5.890   1.962   2.560  1.00  0.00           H  
HETATM   64  H   UNL     1       4.743   2.383   1.248  1.00  0.00           H  
HETATM   65  H   UNL     1       7.319   0.705   1.077  1.00  0.00           H  
HETATM   66  H   UNL     1       6.807  -2.316   3.770  1.00  0.00           H  
HETATM   67  H   UNL     1       5.072  -3.847  -1.533  1.00  0.00           H  
HETATM   68  H   UNL     1       4.685  -5.261  -0.524  1.00  0.00           H  
HETATM   69  H   UNL     1       4.315  -5.282  -2.265  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.463  -2.482  -2.220  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.366  -1.435   1.260  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.289   0.281  -1.217  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.185  -0.190   0.497  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.742   1.256   1.199  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.443   2.863   1.510  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.701   0.182   2.254  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.940   1.330   3.383  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.925   0.484   3.490  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.928   1.464   4.593  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.325   2.071   4.782  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.370   3.431   4.146  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.366   2.451   3.043  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.762   0.829   1.101  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.463   2.436   1.412  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.504   3.510   0.358  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.265   2.362  -0.771  1.00  0.00           H  
CONECT    1    2    2   36   47                                       
CONECT    2    3   30    1    1                                       
CONECT    3   31   31    2   48                                       
CONECT    4   25   25   26                                            
CONECT    5   29   29    6   30                                       
CONECT    6   13    5    8    8                                       
CONECT    7   25   14   14                                            
CONECT    8    6    6    9   49                                       
CONECT    9   10   10    8   50                                       
CONECT   10   11   28    9    9                                       
CONECT   11   27   13   13   10                                       
CONECT   12   24   25   51                                            
CONECT   13   11   11    6   52                                       
CONECT   14    7    7   15   27                                       
CONECT   15   26   26   14   53                                       
CONECT   16   21   18   22                                            
CONECT   17   18   18                                                 
CONECT   18   19   17   17   16                                       
CONECT   19   20   18   54   55                                       
CONECT   20   19   56   57   58                                       
CONECT   21   16   24   59   60                                       
CONECT   22   16   23   61   62                                       
CONECT   23   24   22   63   64                                       
CONECT   24   21   12   23   65                                       
CONECT   25   12    4    4    7                                       
CONECT   26    4   15   15   66                                       
CONECT   27   14   11                                                 
CONECT   28   10   67   68   69                                       
CONECT   29    5    5                                                 
CONECT   30    5    2   70                                            
CONECT   31   32    3    3   37                                       
CONECT   32   33   34   35   31                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
CONECT   36   37   37    1   71                                       
CONECT   37   31   36   36   38                                       
CONECT   38   37   39   72   73                                       
CONECT   39   38   40   46                                            
CONECT   40   41   39   74   75                                       
CONECT   41   40   42   76   77                                       
CONECT   42   41   45   43                                            
CONECT   43   42   44   78   79                                       
CONECT   44   43   80   81   82                                       
CONECT   45   42   46   83   84                                       
CONECT   46   39   45   85   86                                       
CONECT   47    1                                                      
CONECT   48    3                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   15                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   26                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   30                                                      
CONECT   71   36                                                      
CONECT   72   38                                                      
CONECT   73   38                                                      
CONECT   74   40                                                      
CONECT   75   40                                                      
CONECT   76   41                                                      
CONECT   77   41                                                      
CONECT   78   43                                                      
CONECT   79   43                                                      
CONECT   80   44                                                      
CONECT   81   44                                                      
CONECT   82   44                                                      
CONECT   83   45                                                      
CONECT   84   45                                                      
CONECT   85   46                                                      
CONECT   86   46                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
