COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.867  -3.046   0.214  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.464   0.207  -0.665  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.520   2.448  -0.993  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.474   4.723  -1.387  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.928   1.852  -1.022  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.074   0.314   1.396  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.616   1.094   0.333  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.247   0.092   2.498  1.00  0.00           C  
HETATM    9  C   UNL     1       1.465   1.416   1.473  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.830  -0.945   2.287  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.432  -0.270   1.358  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.228  -0.054   0.292  1.00  0.00           N  
HETATM   13  C   UNL     1      -4.574  -0.632   0.254  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.500  -2.043  -0.270  1.00  0.00           C  
HETATM   15  N   UNL     1      -5.434  -2.945   0.090  1.00  0.00           N  
HETATM   16  C   UNL     1      -5.322  -4.353  -0.322  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.646  -4.779  -0.965  1.00  0.00           C  
HETATM   18  N   UNL     1      -7.751  -4.488  -0.041  1.00  0.00           N  
HETATM   19  C   UNL     1      -6.592  -2.549   0.905  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.599  -2.366  -1.015  1.00  0.00           O  
HETATM   21  C   UNL     1      -5.630   1.609  -0.074  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.584   3.884  -0.468  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.883   4.127  -1.416  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.818   2.691  -1.941  1.00  0.00           C  
HETATM   25  C   UNL     1       0.650   1.640   0.378  1.00  0.00           C  
HETATM   26  C   UNL     1       1.019   0.639   2.528  1.00  0.00           C  
HETATM   27  C   UNL     1       2.849   2.011   1.512  1.00  0.00           C  
HETATM   28  N   UNL     1       3.800   1.076   0.907  1.00  0.00           N  
HETATM   29  C   UNL     1       5.107   1.398   0.831  1.00  0.00           C  
HETATM   30  C   UNL     1       6.060   0.461   0.224  1.00  0.00           C  
HETATM   31  C   UNL     1       7.431   0.654   0.076  1.00  0.00           C  
HETATM   32  N   UNL     1       8.151   1.763   0.473  1.00  0.00           N  
HETATM   33  N   UNL     1       7.924  -0.449  -0.529  1.00  0.00           N  
HETATM   34  C   UNL     1       9.267  -0.669  -0.865  1.00  0.00           C  
HETATM   35  C   UNL     1      10.065   0.393  -1.269  1.00  0.00           C  
HETATM   36  C   UNL     1      11.389   0.174  -1.595  1.00  0.00           C  
HETATM   37  C   UNL     1      11.920  -1.100  -1.518  1.00  0.00           C  
HETATM   38  C   UNL     1      11.128  -2.160  -1.116  1.00  0.00           C  
HETATM   39  C   UNL     1       9.803  -1.947  -0.789  1.00  0.00           C  
HETATM   40  N   UNL     1       6.867  -1.336  -0.762  1.00  0.00           N  
HETATM   41  C   UNL     1       5.760  -0.812  -0.316  1.00  0.00           C  
HETATM   42  O   UNL     1       5.496   2.466   1.266  1.00  0.00           O  
HETATM   43  H   UNL     1      -7.997  -2.519  -0.731  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.726  -2.858   0.857  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.003   0.281  -1.650  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.441  -0.266  -0.756  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.104   2.448  -2.000  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.520   5.746  -1.013  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.058   4.723  -2.395  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.883   0.829  -1.395  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.344   1.852  -0.014  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.251   1.269  -0.522  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.596  -0.507   3.326  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.911   0.485  -0.449  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.995  -0.639   1.260  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.513  -4.459  -1.045  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.122  -4.975   0.550  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.794  -4.227  -1.894  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.621  -5.847  -1.177  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.646  -5.000   0.821  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.623  -1.463   0.993  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.514  -2.997   1.895  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.091   1.536   0.911  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.652   2.083   0.017  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.000   3.884   0.540  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.580   4.308  -0.447  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.298   4.127  -0.408  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.517   4.725  -2.071  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.403   2.691  -2.948  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.822   2.266  -1.961  1.00  0.00           H  
HETATM   71  H   UNL     1       1.004   2.247  -0.442  1.00  0.00           H  
HETATM   72  H   UNL     1       1.660   0.469   3.380  1.00  0.00           H  
HETATM   73  H   UNL     1       2.857   2.949   0.956  1.00  0.00           H  
HETATM   74  H   UNL     1       3.134   2.200   2.547  1.00  0.00           H  
HETATM   75  H   UNL     1       3.490   0.225   0.560  1.00  0.00           H  
HETATM   76  H   UNL     1       7.700   2.506   0.902  1.00  0.00           H  
HETATM   77  H   UNL     1       9.109   1.798   0.323  1.00  0.00           H  
HETATM   78  H   UNL     1       9.651   1.388  -1.330  1.00  0.00           H  
HETATM   79  H   UNL     1      12.011   0.999  -1.909  1.00  0.00           H  
HETATM   80  H   UNL     1      12.956  -1.269  -1.774  1.00  0.00           H  
HETATM   81  H   UNL     1      11.545  -3.154  -1.057  1.00  0.00           H  
HETATM   82  H   UNL     1       9.186  -2.774  -0.470  1.00  0.00           H  
HETATM   83  H   UNL     1       4.782  -1.267  -0.358  1.00  0.00           H  
CONECT    1   19   18   43   44                                       
CONECT    2   21   13   45   46                                       
CONECT    3    5   21   22   47                                       
CONECT    4   23   22   48   49                                       
CONECT    5   24    3   50   51                                       
CONECT    6    7    7    8   11                                       
CONECT    7   25    6    6   52                                       
CONECT    8   26   26    6   53                                       
CONECT    9   27   25   25   26                                       
CONECT   10   11   11                                                 
CONECT   11    6   10   10   12                                       
CONECT   12   11   13   54                                            
CONECT   13   12    2   14   55                                       
CONECT   14   13   20   20   15                                       
CONECT   15   14   19   16                                            
CONECT   16   15   17   56   57                                       
CONECT   17   16   18   58   59                                       
CONECT   18    1   17   60                                            
CONECT   19   15    1   61   62                                       
CONECT   20   14   14                                                 
CONECT   21    3    2   63   64                                       
CONECT   22    3    4   65   66                                       
CONECT   23   24    4   67   68                                       
CONECT   24    5   23   69   70                                       
CONECT   25    9    9    7   71                                       
CONECT   26    9    8    8   72                                       
CONECT   27   28    9   73   74                                       
CONECT   28   29   27   75                                            
CONECT   29   30   28   42   42                                       
CONECT   30   41   31   31   29                                       
CONECT   31   33   30   30   32                                       
CONECT   32   31   76   77                                            
CONECT   33   40   34   31                                            
CONECT   34   35   35   39   33                                       
CONECT   35   36   34   34   78                                       
CONECT   36   37   37   35   79                                       
CONECT   37   36   36   38   80                                       
CONECT   38   37   39   39   81                                       
CONECT   39   38   38   34   82                                       
CONECT   40   33   41   41                                            
CONECT   41   40   40   30   83                                       
CONECT   42   29   29                                                 
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   32                                                      
CONECT   77   32                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   38                                                      
CONECT   82   39                                                      
CONECT   83   41                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
