COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.547  -1.733  -0.200  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.580  -0.474  -0.895  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.941   0.670  -1.118  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.756   1.417  -0.691  1.00  0.00           C  
HETATM    5  C   UNL     1       5.436   0.598   0.531  1.00  0.00           C  
HETATM    6  C   UNL     1       6.727  -0.114   0.841  1.00  0.00           C  
HETATM    7  C   UNL     1       8.716  -1.258  -0.146  1.00  0.00           C  
HETATM    8  C   UNL     1      10.814  -0.139   0.435  1.00  0.00           C  
HETATM    9  C   UNL     1      12.657  -0.370  -1.127  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.838  -4.039   0.250  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.978  -2.729   0.600  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.624  -2.525   1.228  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.809  -1.969  -0.755  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.834  -0.459  -0.449  1.00  0.00           C  
HETATM   15  C   UNL     1       0.633   1.529  -1.329  1.00  0.00           C  
HETATM   16  C   UNL     1       2.320  -0.250  -1.272  1.00  0.00           C  
HETATM   17  C   UNL     1       3.218   0.663  -0.477  1.00  0.00           C  
HETATM   18  C   UNL     1       7.421  -0.504  -0.465  1.00  0.00           C  
HETATM   19  C   UNL     1      11.367  -0.558  -0.862  1.00  0.00           C  
HETATM   20  C   UNL     1       8.936   0.075   1.991  1.00  0.00           C  
HETATM   21  C   UNL     1       7.639   0.814   1.648  1.00  0.00           C  
HETATM   22  C   UNL     1       0.211  -0.698  -2.440  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.161  -0.723  -1.758  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.806   1.844  -0.449  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.626   3.917   0.642  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.339   5.260   0.822  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.465   4.190   0.548  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.773   2.836   0.365  1.00  0.00           C  
HETATM   29  F   UNL     1      -3.489  -1.189   1.622  1.00  0.00           F  
HETATM   30  F   UNL     1      -3.497  -3.356   2.346  1.00  0.00           F  
HETATM   31  N   UNL     1      -7.504  -5.227   0.482  1.00  0.00           N  
HETATM   32  N   UNL     1      -5.646  -3.851   0.799  1.00  0.00           N  
HETATM   33  N   UNL     1      -7.415  -3.115  -0.506  1.00  0.00           N  
HETATM   34  N   UNL     1      -1.641   0.655  -1.581  1.00  0.00           N  
HETATM   35  N   UNL     1       1.103   0.176  -1.664  1.00  0.00           N  
HETATM   36  N   UNL     1       4.474  -0.029  -0.176  1.00  0.00           N  
HETATM   37  N   UNL     1       9.536  -0.430   0.749  1.00  0.00           N  
HETATM   38  N   UNL     1      -3.553   1.828  -0.895  1.00  0.00           N  
HETATM   39  N   UNL     1      -5.441   3.047  -0.219  1.00  0.00           N  
HETATM   40  N   UNL     1      -5.446   0.701  -0.226  1.00  0.00           N  
HETATM   41  O   UNL     1      11.511   0.469   1.225  1.00  0.00           O  
HETATM   42  O   UNL     1       5.262   1.735   0.916  1.00  0.00           O  
HETATM   43  O   UNL     1       2.692  -1.368  -1.557  1.00  0.00           O  
HETATM   44  O   UNL     1      -6.644   5.033   1.362  1.00  0.00           O  
HETATM   45  H   UNL     1      -0.675   0.905   0.268  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.166   2.415  -0.536  1.00  0.00           H  
HETATM   47  H   UNL     1       6.516  -1.011   1.423  1.00  0.00           H  
HETATM   48  H   UNL     1       8.478  -2.201   0.345  1.00  0.00           H  
HETATM   49  H   UNL     1       9.262  -1.454  -1.069  1.00  0.00           H  
HETATM   50  H   UNL     1      13.298   0.091  -0.390  1.00  0.00           H  
HETATM   51  H   UNL     1      13.063  -0.677  -2.079  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.847  -2.770   0.504  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.281  -1.224  -1.378  1.00  0.00           H  
HETATM   54  H   UNL     1       0.571   2.131  -2.236  1.00  0.00           H  
HETATM   55  H   UNL     1       1.323   1.996  -0.626  1.00  0.00           H  
HETATM   56  H   UNL     1       3.429   1.561  -1.059  1.00  0.00           H  
HETATM   57  H   UNL     1       2.723   0.940   0.453  1.00  0.00           H  
HETATM   58  H   UNL     1       6.761  -1.146  -1.050  1.00  0.00           H  
HETATM   59  H   UNL     1       7.654   0.394  -1.036  1.00  0.00           H  
HETATM   60  H   UNL     1      10.726  -1.019  -1.599  1.00  0.00           H  
HETATM   61  H   UNL     1       9.629   0.761   2.479  1.00  0.00           H  
HETATM   62  H   UNL     1       8.717  -0.758   2.659  1.00  0.00           H  
HETATM   63  H   UNL     1       7.870   1.700   1.057  1.00  0.00           H  
HETATM   64  H   UNL     1       7.135   1.110   2.567  1.00  0.00           H  
HETATM   65  H   UNL     1       0.623  -1.707  -2.470  1.00  0.00           H  
HETATM   66  H   UNL     1       0.112  -0.313  -3.455  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.866  -1.277  -2.377  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.074  -1.205  -0.784  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.654   4.081   0.178  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.491   3.444   1.614  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.767   5.887   1.506  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.425   5.759  -0.143  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.614   4.657  -0.425  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.430   4.044   1.033  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.673   2.345   1.333  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.368   2.211  -0.301  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.098  -5.910   1.039  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.377  -5.379   0.088  1.00  0.00           H  
HETATM   79  H   UNL     1       4.613  -0.938  -0.484  1.00  0.00           H  
CONECT    1   13   13   11   14                                       
CONECT    2   14   14    3                                            
CONECT    3    2   34   38   38                                       
CONECT    4   34   15   45   46                                       
CONECT    5   36   42   42    6                                       
CONECT    6    5   21   18   47                                       
CONECT    7   18   37   48   49                                       
CONECT    8   19   41   41   37                                       
CONECT    9   19   19   50   51                                       
CONECT   10   31   33   33   32                                       
CONECT   11   32   32    1   12                                       
CONECT   12   11   29   30   52                                       
CONECT   13   33    1    1   53                                       
CONECT   14    1    2    2   40                                       
CONECT   15   35    4   54   55                                       
CONECT   16   17   35   43   43                                       
CONECT   17   36   16   56   57                                       
CONECT   18    6    7   58   59                                       
CONECT   19    9    9    8   60                                       
CONECT   20   21   37   61   62                                       
CONECT   21    6   20   63   64                                       
CONECT   22   23   35   65   66                                       
CONECT   23   22   34   67   68                                       
CONECT   24   40   40   38   39                                       
CONECT   25   39   26   69   70                                       
CONECT   26   44   25   71   72                                       
CONECT   27   28   44   73   74                                       
CONECT   28   27   39   75   76                                       
CONECT   29   12                                                      
CONECT   30   12                                                      
CONECT   31   10   77   78                                            
CONECT   32   10   11   11                                            
CONECT   33   10   10   13                                            
CONECT   34   23    3    4                                            
CONECT   35   22   16   15                                            
CONECT   36   17    5   79                                            
CONECT   37    8   20    7                                            
CONECT   38    3    3   24                                            
CONECT   39   28   24   25                                            
CONECT   40   14   24   24                                            
CONECT   41    8    8                                                 
CONECT   42    5    5                                                 
CONECT   43   16   16                                                 
CONECT   44   27   26                                                 
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
CONECT   79   36                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
