COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.318   2.483  -3.927  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.816   1.459  -2.907  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.356   1.756  -2.560  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.865   0.748  -1.610  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.488   1.043  -1.193  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.492   2.197  -0.225  1.00  0.00           C  
HETATM    7  C   UNL     1       2.255   3.685   1.753  1.00  0.00           C  
HETATM    8  C   UNL     1       2.806   5.080   1.453  1.00  0.00           C  
HETATM    9  C   UNL     1       2.479   3.330   3.224  1.00  0.00           C  
HETATM   10  C   UNL     1       2.906   2.656   0.854  1.00  0.00           C  
HETATM   11  C   UNL     1       4.551   1.366  -0.121  1.00  0.00           C  
HETATM   12  C   UNL     1       3.627   0.725  -0.925  1.00  0.00           C  
HETATM   13  C   UNL     1       3.043  -2.522  -1.237  1.00  0.00           C  
HETATM   14  C   UNL     1       4.235  -4.108   0.106  1.00  0.00           C  
HETATM   15  C   UNL     1       5.323  -3.253   0.147  1.00  0.00           C  
HETATM   16  C   UNL     1       5.272  -2.037  -0.507  1.00  0.00           C  
HETATM   17  C   UNL     1       2.291   1.070  -0.829  1.00  0.00           C  
HETATM   18  C   UNL     1       1.919   2.062   0.085  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.965  -0.603  -2.182  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.464  -1.627  -1.162  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.990  -0.780   2.220  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.882  -2.244   2.520  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.809  -1.806   1.742  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.307  -2.220   0.418  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.426  -0.900  -2.529  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.528   2.779   0.021  1.00  0.00           O  
HETATM   27  N   UNL     1       0.655   2.583   0.368  1.00  0.00           N  
HETATM   28  C   UNL     1       0.759   3.613   1.406  1.00  0.00           C  
HETATM   29  N   UNL     1       4.170   2.296   0.731  1.00  0.00           N  
HETATM   30  C   UNL     1       4.071  -0.338  -1.898  1.00  0.00           C  
HETATM   31  C   UNL     1       4.130  -1.669  -1.194  1.00  0.00           C  
HETATM   32  C   UNL     1       3.094  -3.740  -0.587  1.00  0.00           C  
HETATM   33  F   UNL     1       4.284  -5.297   0.744  1.00  0.00           F  
HETATM   34  N   UNL     1      -2.228  -1.493   0.081  1.00  0.00           N  
HETATM   35  C   UNL     1      -1.941  -0.544   1.162  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.235  -0.210   3.447  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.302  -0.649   4.213  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.123  -1.661   3.747  1.00  0.00           C  
HETATM   39  O   UNL     1      -3.798  -3.095  -0.268  1.00  0.00           O  
HETATM   40  N   UNL     1      -3.916   0.109  -3.479  1.00  0.00           N  
HETATM   41  H   UNL     1      -5.357   2.270  -4.175  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.244   3.484  -3.502  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.709   2.425  -4.829  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.424   1.517  -2.004  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.753   1.725  -3.467  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.284   2.746  -2.109  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.059   0.165  -0.710  1.00  0.00           H  
HETATM   48  H   UNL     1       0.108   1.304  -2.068  1.00  0.00           H  
HETATM   49  H   UNL     1       2.268   5.819   2.047  1.00  0.00           H  
HETATM   50  H   UNL     1       3.866   5.114   1.704  1.00  0.00           H  
HETATM   51  H   UNL     1       2.676   5.301   0.393  1.00  0.00           H  
HETATM   52  H   UNL     1       2.119   2.318   3.413  1.00  0.00           H  
HETATM   53  H   UNL     1       3.543   3.385   3.454  1.00  0.00           H  
HETATM   54  H   UNL     1       1.934   4.032   3.855  1.00  0.00           H  
HETATM   55  H   UNL     1       5.595   1.101  -0.191  1.00  0.00           H  
HETATM   56  H   UNL     1       2.151  -2.233  -1.774  1.00  0.00           H  
HETATM   57  H   UNL     1       6.214  -3.538   0.688  1.00  0.00           H  
HETATM   58  H   UNL     1       6.121  -1.370  -0.475  1.00  0.00           H  
HETATM   59  H   UNL     1       1.550   0.584  -1.446  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.357  -0.660  -3.085  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.595  -2.632  -1.563  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.407  -1.451  -0.960  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.523  -3.036   2.162  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.498  -1.890  -2.980  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.029  -0.869  -1.622  1.00  0.00           H  
HETATM   66  H   UNL     1       0.181   3.324   2.284  1.00  0.00           H  
HETATM   67  H   UNL     1       0.413   4.573   1.023  1.00  0.00           H  
HETATM   68  H   UNL     1       3.361  -0.394  -2.723  1.00  0.00           H  
HETATM   69  H   UNL     1       5.058  -0.086  -2.284  1.00  0.00           H  
HETATM   70  H   UNL     1       2.244  -4.406  -0.621  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.007   0.479   0.790  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.948  -0.731   1.571  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.595   0.579   3.814  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.494  -0.201   5.177  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.953  -1.999   4.349  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.862  -0.094  -3.765  1.00  0.00           H  
CONECT    1    2   41   42   43                                       
CONECT    2    3    1   40   44                                       
CONECT    3    4    2   45   46                                       
CONECT    4    5    3   19                                            
CONECT    5    6    4   47   48                                       
CONECT    6   27   26   26    5                                       
CONECT    7    9    8   10   28                                       
CONECT    8    7   49   50   51                                       
CONECT    9    7   52   53   54                                       
CONECT   10   29    7   18   18                                       
CONECT   11   29   29   12   55                                       
CONECT   12   11   30   17   17                                       
CONECT   13   32   32   31   56                                       
CONECT   14   32   33   15   15                                       
CONECT   15   14   14   16   57                                       
CONECT   16   31   31   15   58                                       
CONECT   17   12   12   18   59                                       
CONECT   18   10   10   17   27                                       
CONECT   19    4   20   25   60                                       
CONECT   20   34   19   61   62                                       
CONECT   21   36   36   23   35                                       
CONECT   22   38   23   23   63                                       
CONECT   23   22   22   21   24                                       
CONECT   24   23   39   39   34                                       
CONECT   25   19   40   64   65                                       
CONECT   26    6    6                                                 
CONECT   27   18   28    6                                            
CONECT   28    7   27   66   67                                       
CONECT   29   11   11   10                                            
CONECT   30   31   12   68   69                                       
CONECT   31   13   30   16   16                                       
CONECT   32   13   13   14   70                                       
CONECT   33   14                                                      
CONECT   34   24   35   20                                            
CONECT   35   21   34   71   72                                       
CONECT   36   37   21   21   73                                       
CONECT   37   38   38   36   74                                       
CONECT   38   37   37   22   75                                       
CONECT   39   24   24                                                 
CONECT   40    2   25   76                                            
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55   11                                                      
CONECT   56   13                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   22                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   28                                                      
CONECT   67   28                                                      
CONECT   68   30                                                      
CONECT   69   30                                                      
CONECT   70   32                                                      
CONECT   71   35                                                      
CONECT   72   35                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
CONECT   76   40                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
