COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.036   1.984  -0.744  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.017   1.113  -0.606  1.00  0.00           C  
HETATM    3  C   UNL     1       0.961   0.914  -1.736  1.00  0.00           C  
HETATM    4  O   UNL     1       0.114   0.490   0.426  1.00  0.00           O  
HETATM    5  N   UNL     1       1.965  -0.091  -1.356  1.00  0.00           N  
HETATM    6  C   UNL     1       1.902  -1.208  -2.316  1.00  0.00           C  
HETATM    7  C   UNL     1       0.466  -1.153  -2.895  1.00  0.00           C  
HETATM    8  C   UNL     1       0.223   0.377  -2.980  1.00  0.00           C  
HETATM    9  O   UNL     1       0.413  -1.753  -4.191  1.00  0.00           O  
HETATM   10  C   UNL     1       2.804  -0.005  -0.305  1.00  0.00           C  
HETATM   11  C   UNL     1       3.852  -1.066  -0.089  1.00  0.00           C  
HETATM   12  O   UNL     1       2.716   0.926   0.467  1.00  0.00           O  
HETATM   13  N   UNL     1       5.097  -0.438   0.360  1.00  0.00           N  
HETATM   14  C   UNL     1       3.367  -2.054   0.974  1.00  0.00           C  
HETATM   15  C   UNL     1       2.007  -2.619   0.561  1.00  0.00           C  
HETATM   16  C   UNL     1       4.375  -3.197   1.107  1.00  0.00           C  
HETATM   17  C   UNL     1       3.233  -1.332   2.317  1.00  0.00           C  
HETATM   18  C   UNL     1       6.278  -1.052   0.144  1.00  0.00           C  
HETATM   19  O   UNL     1       6.309  -2.124  -0.423  1.00  0.00           O  
HETATM   20  C   UNL     1       8.874  -1.026   0.130  1.00  0.00           C  
HETATM   21  C   UNL     1       8.432  -1.191   1.586  1.00  0.00           C  
HETATM   22  C   UNL     1       7.559  -0.406   0.605  1.00  0.00           C  
HETATM   23  F   UNL     1       7.515   0.985   0.750  1.00  0.00           F  
HETATM   24  C   UNL     1      -1.921   2.260   0.391  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.492   3.674   0.259  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.049   1.262   0.402  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.637   0.872  -0.788  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.670  -0.042  -0.784  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.123  -0.573   0.424  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.526  -0.176   1.621  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.490   0.734   1.603  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.231  -1.553   0.435  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.252  -2.723   1.110  1.00  0.00           C  
HETATM   34  N   UNL     1      -7.358  -3.416   0.955  1.00  0.00           N  
HETATM   35  C   UNL     1      -8.271  -2.910   0.194  1.00  0.00           C  
HETATM   36  S   UNL     1      -7.761  -1.400  -0.424  1.00  0.00           S  
HETATM   37  C   UNL     1      -5.106  -3.193   1.969  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.377   4.680   0.381  1.00  0.00           C  
HETATM   39  N   UNL     1      -1.656   5.998   0.386  1.00  0.00           N  
HETATM   40  O   UNL     1      -0.228   4.303   0.475  1.00  0.00           O  
HETATM   41  C   UNL     1      -0.572   6.976   0.504  1.00  0.00           C  
HETATM   42  H   UNL     1      -1.181   2.431  -1.592  1.00  0.00           H  
HETATM   43  H   UNL     1       1.450   1.858  -1.974  1.00  0.00           H  
HETATM   44  H   UNL     1       2.637  -1.068  -3.110  1.00  0.00           H  
HETATM   45  H   UNL     1       2.069  -2.157  -1.806  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.246  -1.625  -2.219  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.842   0.602  -2.924  1.00  0.00           H  
HETATM   48  H   UNL     1       0.657   0.786  -3.892  1.00  0.00           H  
HETATM   49  H   UNL     1       0.655  -2.689  -4.202  1.00  0.00           H  
HETATM   50  H   UNL     1       4.030  -1.597  -1.024  1.00  0.00           H  
HETATM   51  H   UNL     1       5.072   0.419   0.813  1.00  0.00           H  
HETATM   52  H   UNL     1       2.118  -3.206  -0.350  1.00  0.00           H  
HETATM   53  H   UNL     1       1.621  -3.255   1.358  1.00  0.00           H  
HETATM   54  H   UNL     1       1.311  -1.799   0.382  1.00  0.00           H  
HETATM   55  H   UNL     1       4.470  -3.710   0.150  1.00  0.00           H  
HETATM   56  H   UNL     1       5.345  -2.793   1.401  1.00  0.00           H  
HETATM   57  H   UNL     1       4.030  -3.900   1.865  1.00  0.00           H  
HETATM   58  H   UNL     1       2.887  -2.036   3.074  1.00  0.00           H  
HETATM   59  H   UNL     1       4.202  -0.929   2.611  1.00  0.00           H  
HETATM   60  H   UNL     1       2.515  -0.518   2.222  1.00  0.00           H  
HETATM   61  H   UNL     1       9.706  -0.351  -0.070  1.00  0.00           H  
HETATM   62  H   UNL     1       8.813  -1.902  -0.516  1.00  0.00           H  
HETATM   63  H   UNL     1       8.080  -2.175   1.897  1.00  0.00           H  
HETATM   64  H   UNL     1       8.973  -0.624   2.343  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.356   2.182   1.320  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.974   3.782  -0.712  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.224   3.845   1.049  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.286   1.285  -1.723  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.128  -0.345  -1.714  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.872  -0.584   2.559  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.024   1.039   2.529  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.575   6.300   0.311  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.039   6.816   1.442  1.00  0.00           H  
HETATM   74  H   UNL     1       0.119   6.856  -0.330  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.988   7.984   0.490  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.223  -3.374  -0.018  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.279  -2.892   3.002  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.032  -4.279   1.914  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.177  -2.747   1.611  1.00  0.00           H  
CONECT    1    2   24   42                                            
CONECT    2    3    4    4    1                                       
CONECT    3    5    8    2   43                                       
CONECT    4    2    2                                                 
CONECT    5   10    6    3                                            
CONECT    6    5    7   44   45                                       
CONECT    7    6    9    8   46                                       
CONECT    8    7    3   47   48                                       
CONECT    9    7   49                                                 
CONECT   10   11   12   12    5                                       
CONECT   11   14   13   10   50                                       
CONECT   12   10   10                                                 
CONECT   13   18   11   51                                            
CONECT   14   16   15   11   17                                       
CONECT   15   14   52   53   54                                       
CONECT   16   14   55   56   57                                       
CONECT   17   14   58   59   60                                       
CONECT   18   22   19   19   13                                       
CONECT   19   18   18                                                 
CONECT   20   21   22   61   62                                       
CONECT   21   20   22   63   64                                       
CONECT   22   21   20   18   23                                       
CONECT   23   22                                                      
CONECT   24    1   25   26   65                                       
CONECT   25   24   38   66   67                                       
CONECT   26   24   31   31   27                                       
CONECT   27   26   28   28   68                                       
CONECT   28   27   27   29   69                                       
CONECT   29   30   30   28   32                                       
CONECT   30   31   29   29   70                                       
CONECT   31   26   26   30   71                                       
CONECT   32   29   36   33   33                                       
CONECT   33   32   32   37   34                                       
CONECT   34   33   35   35                                            
CONECT   35   36   34   34   76                                       
CONECT   36   32   35                                                 
CONECT   37   33   77   78   79                                       
CONECT   38   25   40   40   39                                       
CONECT   39   38   41   72                                            
CONECT   40   38   38                                                 
CONECT   41   39   73   74   75                                       
CONECT   42    1                                                      
CONECT   43    3                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   11                                                      
CONECT   51   13                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   39                                                      
CONECT   73   41                                                      
CONECT   74   41                                                      
CONECT   75   41                                                      
CONECT   76   35                                                      
CONECT   77   37                                                      
CONECT   78   37                                                      
CONECT   79   37                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
