COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.227  -4.301  -2.873  1.00  0.00           C  
HETATM    2  C   UNL     1       3.117  -3.729  -1.458  1.00  0.00           C  
HETATM    3  C   UNL     1       2.173  -2.525  -1.467  1.00  0.00           C  
HETATM    4  N   UNL     1       2.084  -1.966  -0.110  1.00  0.00           N  
HETATM    5  C   UNL     1       1.141  -0.840  -0.065  1.00  0.00           C  
HETATM    6  C   UNL     1       1.554   0.201  -1.073  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.285   3.121  -2.402  1.00  0.00           C  
HETATM    8  C   UNL     1       0.108   4.556  -2.047  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.996   3.084  -3.757  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.170   2.534  -1.324  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.980   2.264   0.081  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.407   1.152   0.670  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.351  -0.178   0.790  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.840  -2.409   0.068  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.569  -2.808   0.442  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.693  -1.894   0.995  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.166   0.721   0.237  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.529   1.430  -0.786  1.00  0.00           C  
HETATM   19  C   UNL     1       3.411  -1.561   0.376  1.00  0.00           C  
HETATM   20  C   UNL     1       3.289  -1.019   1.801  1.00  0.00           C  
HETATM   21  C   UNL     1       2.901   2.687   1.245  1.00  0.00           C  
HETATM   22  C   UNL     1       1.079  -0.410   3.498  1.00  0.00           C  
HETATM   23  C   UNL     1       4.345  -2.774   0.369  1.00  0.00           C  
HETATM   24  O   UNL     1       2.645   0.138  -1.599  1.00  0.00           O  
HETATM   25  N   UNL     1       0.710   1.203  -1.391  1.00  0.00           N  
HETATM   26  C   UNL     1       0.956   2.214  -2.423  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.355   2.912  -0.882  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.127   0.417   1.771  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.083  -0.579   1.169  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.231  -1.092   0.242  1.00  0.00           C  
HETATM   31  F   UNL     1      -6.700  -3.303  -0.468  1.00  0.00           F  
HETATM   32  N   UNL     1       2.658   0.308   1.768  1.00  0.00           N  
HETATM   33  C   UNL     1       3.613   1.334   1.323  1.00  0.00           C  
HETATM   34  O   UNL     1       2.331   2.994   2.521  1.00  0.00           O  
HETATM   35  C   UNL     1       1.396   2.016   2.985  1.00  0.00           C  
HETATM   36  C   UNL     1       2.094   0.656   3.080  1.00  0.00           C  
HETATM   37  N   UNL     1       4.445  -3.307  -0.996  1.00  0.00           N1+
HETATM   38  H   UNL     1       3.899  -5.159  -2.867  1.00  0.00           H  
HETATM   39  H   UNL     1       2.241  -4.614  -3.216  1.00  0.00           H  
HETATM   40  H   UNL     1       3.619  -3.537  -3.544  1.00  0.00           H  
HETATM   41  H   UNL     1       2.725  -4.493  -0.787  1.00  0.00           H  
HETATM   42  H   UNL     1       2.557  -1.766  -2.148  1.00  0.00           H  
HETATM   43  H   UNL     1       1.183  -2.841  -1.796  1.00  0.00           H  
HETATM   44  H   UNL     1       0.138  -1.197  -0.301  1.00  0.00           H  
HETATM   45  H   UNL     1       1.146  -0.402   0.933  1.00  0.00           H  
HETATM   46  H   UNL     1       0.812   4.934  -2.789  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.782   5.185  -2.037  1.00  0.00           H  
HETATM   48  H   UNL     1       0.575   4.571  -1.062  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.306   2.062  -3.977  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.872   3.731  -3.726  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.315   3.432  -4.534  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.948   2.605   0.414  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.655   0.850   0.926  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.263  -3.835   0.307  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.701  -2.205   1.288  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.697  -0.145   0.682  1.00  0.00           H  
HETATM   57  H   UNL     1       3.816  -0.787  -0.275  1.00  0.00           H  
HETATM   58  H   UNL     1       2.678  -1.696   2.397  1.00  0.00           H  
HETATM   59  H   UNL     1       4.281  -0.938   2.245  1.00  0.00           H  
HETATM   60  H   UNL     1       3.618   3.460   0.971  1.00  0.00           H  
HETATM   61  H   UNL     1       2.111   2.640   0.495  1.00  0.00           H  
HETATM   62  H   UNL     1       0.281  -0.463   2.758  1.00  0.00           H  
HETATM   63  H   UNL     1       1.576  -1.378   3.566  1.00  0.00           H  
HETATM   64  H   UNL     1       0.658  -0.150   4.469  1.00  0.00           H  
HETATM   65  H   UNL     1       5.333  -2.473   0.715  1.00  0.00           H  
HETATM   66  H   UNL     1       3.946  -3.543   1.031  1.00  0.00           H  
HETATM   67  H   UNL     1       1.062   1.741  -3.399  1.00  0.00           H  
HETATM   68  H   UNL     1       1.849   2.790  -2.182  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.401  -0.106   2.394  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.681   1.130   2.381  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.222  -0.779  -0.050  1.00  0.00           H  
HETATM   72  H   UNL     1       3.999   1.069   0.338  1.00  0.00           H  
HETATM   73  H   UNL     1       4.437   1.396   2.033  1.00  0.00           H  
HETATM   74  H   UNL     1       1.026   2.304   3.968  1.00  0.00           H  
HETATM   75  H   UNL     1       0.563   1.949   2.286  1.00  0.00           H  
HETATM   76  H   UNL     1       2.893   0.708   3.819  1.00  0.00           H  
HETATM   77  H   UNL     1       5.071  -4.098  -1.002  1.00  0.00           H  
HETATM   78  H   UNL     1       4.803  -2.591  -1.611  1.00  0.00           H  
CONECT    1    2   38   39   40                                       
CONECT    2    3    1   37   41                                       
CONECT    3    4    2   42   43                                       
CONECT    4    5    3   19                                            
CONECT    5    6    4   44   45                                       
CONECT    6   25   24   24    5                                       
CONECT    7    8    9   10   26                                       
CONECT    8    7   46   47   48                                       
CONECT    9    7   49   50   51                                       
CONECT   10   27    7   18   18                                       
CONECT   11   27   27   12   52                                       
CONECT   12   11   28   17   17                                       
CONECT   13   29   29   30   53                                       
CONECT   14   15   31   30   30                                       
CONECT   15   16   16   14   54                                       
CONECT   16   15   15   29   55                                       
CONECT   17   12   12   18   56                                       
CONECT   18   10   10   17   25                                       
CONECT   19    4   20   23   57                                       
CONECT   20   32   19   58   59                                       
CONECT   21   34   33   60   61                                       
CONECT   22   36   62   63   64                                       
CONECT   23   19   37   65   66                                       
CONECT   24    6    6                                                 
CONECT   25   18   26    6                                            
CONECT   26    7   25   67   68                                       
CONECT   27   11   11   10                                            
CONECT   28   29   12   69   70                                       
CONECT   29   16   28   13   13                                       
CONECT   30   14   14   13   71                                       
CONECT   31   14                                                      
CONECT   32   36   33   20                                            
CONECT   33   21   32   72   73                                       
CONECT   34   35   21                                                 
CONECT   35   34   36   74   75                                       
CONECT   36   35   22   32   76                                       
CONECT   37    2   23   77   78                                       
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   11                                                      
CONECT   53   13                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   30                                                      
CONECT   72   33                                                      
CONECT   73   33                                                      
CONECT   74   35                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   37                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
