COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.474   0.707  -0.526  1.00  0.00           N  
HETATM    2  CA  UNL     1       0.310   0.090  -0.750  1.00  0.00           C  
HETATM    3  C   UNL     1       0.114  -1.344  -0.493  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.965  -1.859  -0.712  1.00  0.00           O  
HETATM    5  OXT UNL     1       1.132  -2.088  -0.015  1.00  0.00           O  
HETATM    6  C   UNL     1     -10.566  -1.160  -0.067  1.00  0.00           C  
HETATM    7  C   UNL     1     -11.693  -1.467  -0.184  1.00  0.00           C  
HETATM    8  C   UNL     1       9.710  -5.279   0.254  1.00  0.00           C  
HETATM    9  C   UNL     1       8.438  -5.772  -0.001  1.00  0.00           C  
HETATM   10  C   UNL     1       7.155   4.510   0.713  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.720  -0.304   1.298  1.00  0.00           C  
HETATM   12  C   UNL     1       7.312   3.143   0.617  1.00  0.00           C  
HETATM   13  C   UNL     1       5.905   5.075   0.550  1.00  0.00           C  
HETATM   14  C   UNL     1       9.917  -3.933   0.417  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.393   0.051   1.432  1.00  0.00           C  
HETATM   16  C   UNL     1       7.371  -4.908  -0.098  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.996  -0.540  -0.868  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.191  -0.785   0.075  1.00  0.00           C  
HETATM   19  C   UNL     1       6.205   2.338   0.351  1.00  0.00           C  
HETATM   20  C   UNL     1       4.797   4.280   0.288  1.00  0.00           C  
HETATM   21  C   UNL     1       4.941   2.916   0.182  1.00  0.00           C  
HETATM   22  C   UNL     1       8.838  -3.028   0.328  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.528  -0.067   0.350  1.00  0.00           C  
HETATM   24  C   UNL     1       7.564  -3.537   0.059  1.00  0.00           C  
HETATM   25  C   UNL     1       7.734  -1.057   0.313  1.00  0.00           C  
HETATM   26  C   UNL     1       6.367   0.873   0.248  1.00  0.00           C  
HETATM   27  C   UNL     1       3.459   4.950   0.107  1.00  0.00           C  
HETATM   28  C   UNL     1       3.769   2.010  -0.089  1.00  0.00           C  
HETATM   29  C   UNL     1       2.337   3.922   0.248  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.675   0.883  -1.229  1.00  0.00           C  
HETATM   31  C   UNL     1       1.525   1.974  -0.789  1.00  0.00           C  
HETATM   32  C   UNL     1     -15.358  -0.966  -0.418  1.00  0.00           C  
HETATM   33  C   UNL     1     -13.855  -0.280   1.352  1.00  0.00           C  
HETATM   34  C   UNL     1     -13.106  -1.852  -0.330  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.077   0.444  -1.564  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.968   0.594  -0.329  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.391   0.149  -0.670  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.319  -0.901  -1.008  1.00  0.00           C  
HETATM   39  N   UNL     1       8.850  -1.686   0.451  1.00  0.00           N  
HETATM   40  N   UNL     1       7.583   0.315   0.410  1.00  0.00           N  
HETATM   41  N   UNL     1       2.639   2.778  -0.622  1.00  0.00           N  
HETATM   42  N   UNL     1     -13.962  -0.690  -0.055  1.00  0.00           N  
HETATM   43  O   UNL     1       5.403   0.170   0.016  1.00  0.00           O  
HETATM   44  O   UNL     1      -5.223   0.289   0.484  1.00  0.00           O  
HETATM   45  S   UNL     1       6.427  -2.192   0.007  1.00  0.00           S  
HETATM   46  S   UNL     1      -0.037   2.517  -1.392  1.00  0.00           S  
HETATM   47  F   UNL     1      -6.934   0.512   2.616  1.00  0.00           F  
HETATM   48  HXT UNL     1       0.955  -3.026   0.138  1.00  0.00           H  
HETATM   49  H   UNL     1      10.543  -5.962   0.329  1.00  0.00           H  
HETATM   50  H   UNL     1       8.286  -6.834  -0.125  1.00  0.00           H  
HETATM   51  H   UNL     1       8.009   5.139   0.920  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.392  -0.213   2.138  1.00  0.00           H  
HETATM   53  H   UNL     1       8.288   2.699   0.747  1.00  0.00           H  
HETATM   54  H   UNL     1       5.788   6.146   0.627  1.00  0.00           H  
HETATM   55  H   UNL     1      10.912  -3.563   0.615  1.00  0.00           H  
HETATM   56  H   UNL     1       6.382  -5.293  -0.297  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.321  -0.629  -1.707  1.00  0.00           H  
HETATM   58  H   UNL     1       3.337   5.725   0.865  1.00  0.00           H  
HETATM   59  H   UNL     1       3.412   5.404  -0.883  1.00  0.00           H  
HETATM   60  H   UNL     1       4.062   1.251  -0.814  1.00  0.00           H  
HETATM   61  H   UNL     1       3.467   1.525   0.839  1.00  0.00           H  
HETATM   62  H   UNL     1       2.273   3.588   1.284  1.00  0.00           H  
HETATM   63  H   UNL     1       1.390   4.370  -0.054  1.00  0.00           H  
HETATM   64  H   UNL     1     -15.969  -0.089  -0.204  1.00  0.00           H  
HETATM   65  H   UNL     1     -15.417  -1.199  -1.481  1.00  0.00           H  
HETATM   66  H   UNL     1     -15.723  -1.814   0.161  1.00  0.00           H  
HETATM   67  H   UNL     1     -14.232  -1.077   1.992  1.00  0.00           H  
HETATM   68  H   UNL     1     -12.811  -0.082   1.594  1.00  0.00           H  
HETATM   69  H   UNL     1     -14.443   0.624   1.512  1.00  0.00           H  
HETATM   70  H   UNL     1     -13.284  -2.201  -1.347  1.00  0.00           H  
HETATM   71  H   UNL     1     -13.340  -2.651   0.374  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.468   1.064  -2.371  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.066  -0.599  -1.880  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.577  -0.025   0.478  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.979   1.637  -0.014  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.782   0.768  -1.477  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.380  -0.894  -0.985  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.681  -1.269  -1.957  1.00  0.00           H  
HETATM   79  H   UNL     1       8.353   0.876   0.595  1.00  0.00           H  
CONECT    1    2   31   31                                            
CONECT    2    3    1   30   30                                       
CONECT    3    4    4    5    2                                       
CONECT    4    3    3                                                 
CONECT    5    3   48                                                 
CONECT    6   18    7    7    7                                       
CONECT    7    6    6    6   34                                       
CONECT    8   14   14    9   49                                       
CONECT    9   16   16    8   50                                       
CONECT   10   13   12   12   51                                       
CONECT   11   18   18   15   52                                       
CONECT   12   10   10   19   53                                       
CONECT   13   20   20   10   54                                       
CONECT   14   22    8    8   55                                       
CONECT   15   23   23   11   47                                       
CONECT   16   24    9    9   56                                       
CONECT   17   38   38   23   57                                       
CONECT   18   38    6   11   11                                       
CONECT   19   21   21   12   26                                       
CONECT   20   27   13   13   21                                       
CONECT   21   20   28   19   19                                       
CONECT   22   39   24   24   14                                       
CONECT   23   17   44   15   15                                       
CONECT   24   45   22   22   16                                       
CONECT   25   40   39   39   45                                       
CONECT   26   19   43   43   40                                       
CONECT   27   29   20   58   59                                       
CONECT   28   41   21   60   61                                       
CONECT   29   27   41   62   63                                       
CONECT   30    2    2   35   46                                       
CONECT   31    1    1   41   46                                       
CONECT   32   42   64   65   66                                       
CONECT   33   42   67   68   69                                       
CONECT   34   42    7   70   71                                       
CONECT   35   36   30   72   73                                       
CONECT   36   37   35   74   75                                       
CONECT   37   36   44   76   77                                       
CONECT   38   17   17   18   78                                       
CONECT   39   25   25   22                                            
CONECT   40   26   25   79                                            
CONECT   41   29   31   28                                            
CONECT   42   32   33   34                                            
CONECT   43   26   26                                                 
CONECT   44   37   23                                                 
CONECT   45   25   24                                                 
CONECT   46   31   30                                                 
CONECT   47   15                                                      
CONECT   48    5                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   27                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   33                                                      
CONECT   69   33                                                      
CONECT   70   34                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   40                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
