COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.988   1.981  -4.064  1.00  0.00           C  
HETATM    2  C   UNL     1       4.103   1.001  -2.925  1.00  0.00           C  
HETATM    3  O   UNL     1       3.728  -0.138  -3.069  1.00  0.00           O  
HETATM    4  C   UNL     1       4.687   1.441  -1.607  1.00  0.00           C  
HETATM    5  C   UNL     1       6.205   1.571  -1.740  1.00  0.00           C  
HETATM    6  C   UNL     1       6.776   2.128  -0.461  1.00  0.00           C  
HETATM    7  O   UNL     1       6.043   2.394   0.461  1.00  0.00           O  
HETATM    8  O   UNL     1       8.098   2.328  -0.347  1.00  0.00           O  
HETATM    9  N   UNL     1       4.369   0.449  -0.577  1.00  0.00           N  
HETATM   10  C   UNL     1       3.190   0.507   0.073  1.00  0.00           C  
HETATM   11  O   UNL     1       2.392   1.379  -0.195  1.00  0.00           O  
HETATM   12  C   UNL     1       2.864  -0.514   1.133  1.00  0.00           C  
HETATM   13  C   UNL     1       2.875  -1.898   0.532  1.00  0.00           C  
HETATM   14  C   UNL     1       2.176  -2.897   1.031  1.00  0.00           C  
HETATM   15  C   UNL     1       2.354  -4.243   0.373  1.00  0.00           C  
HETATM   16  C   UNL     1       1.045  -5.027   0.384  1.00  0.00           C  
HETATM   17  C   UNL     1       0.522  -5.083   1.822  1.00  0.00           C  
HETATM   18  C   UNL     1       0.107  -3.681   2.250  1.00  0.00           C  
HETATM   19  C   UNL     1       1.274  -2.709   2.217  1.00  0.00           C  
HETATM   20  N   UNL     1       0.752  -1.338   2.190  1.00  0.00           N  
HETATM   21  N   UNL     1       1.518  -0.272   1.658  1.00  0.00           N  
HETATM   22  C   UNL     1       0.782   0.833   1.760  1.00  0.00           C  
HETATM   23  O   UNL     1       1.112   1.945   1.398  1.00  0.00           O  
HETATM   24  N   UNL     1      -0.396   0.502   2.334  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.488   1.434   2.627  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.432   1.506   1.425  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.637   2.382   1.776  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.518   2.556   0.537  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.705   3.418   0.882  1.00  0.00           C  
HETATM   30  O   UNL     1      -5.833   3.849   2.004  1.00  0.00           O  
HETATM   31  O   UNL     1      -6.620   3.708  -0.056  1.00  0.00           O  
HETATM   32  N   UNL     1      -2.891   0.158   1.083  1.00  0.00           N  
HETATM   33  C   UNL     1      -3.293  -0.118  -0.174  1.00  0.00           C  
HETATM   34  O   UNL     1      -3.276   0.750  -1.021  1.00  0.00           O  
HETATM   35  C   UNL     1      -3.765  -1.505  -0.526  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.156  -1.549  -1.981  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.215  -1.876  -2.939  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.573  -1.915  -4.274  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.872  -1.627  -4.650  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.812  -1.301  -3.691  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.456  -1.267  -2.356  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.408  -0.824   2.596  1.00  0.00           C  
HETATM   43  O   UNL     1      -1.319  -1.440   3.114  1.00  0.00           O  
HETATM   44  H   UNL     1       3.023   2.486  -4.012  1.00  0.00           H  
HETATM   45  H   UNL     1       4.787   2.719  -3.990  1.00  0.00           H  
HETATM   46  H   UNL     1       4.070   1.449  -5.011  1.00  0.00           H  
HETATM   47  H   UNL     1       4.263   2.405  -1.327  1.00  0.00           H  
HETATM   48  H   UNL     1       6.638   0.589  -1.934  1.00  0.00           H  
HETATM   49  H   UNL     1       6.442   2.241  -2.566  1.00  0.00           H  
HETATM   50  H   UNL     1       8.417   2.688   0.492  1.00  0.00           H  
HETATM   51  H   UNL     1       5.008  -0.249  -0.363  1.00  0.00           H  
HETATM   52  H   UNL     1       3.593  -0.455   1.941  1.00  0.00           H  
HETATM   53  H   UNL     1       3.481  -2.078  -0.343  1.00  0.00           H  
HETATM   54  H   UNL     1       2.678  -4.099  -0.658  1.00  0.00           H  
HETATM   55  H   UNL     1       3.115  -4.808   0.912  1.00  0.00           H  
HETATM   56  H   UNL     1       0.314  -4.528  -0.253  1.00  0.00           H  
HETATM   57  H   UNL     1       1.221  -6.039   0.019  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.339  -5.749   1.872  1.00  0.00           H  
HETATM   59  H   UNL     1       1.307  -5.451   2.482  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.672  -3.321   1.578  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.290  -3.722   3.264  1.00  0.00           H  
HETATM   62  H   UNL     1       1.860  -2.832   3.128  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.038   1.086   3.501  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.077   2.424   2.826  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.905   1.938   0.574  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.214   1.905   2.568  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.291   3.358   2.116  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.941   3.033  -0.255  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.864   1.580   0.197  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.363   4.264   0.212  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.905  -0.536   1.760  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.963  -2.220  -0.344  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.628  -1.763   0.089  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.200  -2.100  -2.646  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.838  -2.170  -5.023  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.151  -1.657  -5.693  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.827  -1.076  -3.985  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.191  -1.012  -1.607  1.00  0.00           H  
CONECT    1    2   44   45   46                                       
CONECT    2    1    4    3    3                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    9   47                                       
CONECT    5    4    6   48   49                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6   50                                                 
CONECT    9    4   10   51                                            
CONECT   10    9   12   11   11                                       
CONECT   11   10   10                                                 
CONECT   12   10   21   13   52                                       
CONECT   13   12   14   14   53                                       
CONECT   14   13   13   19   15                                       
CONECT   15   14   16   54   55                                       
CONECT   16   15   17   56   57                                       
CONECT   17   16   18   58   59                                       
CONECT   18   17   19   60   61                                       
CONECT   19   14   18   20   62                                       
CONECT   20   19   21   42                                            
CONECT   21   12   20   22                                            
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   42                                            
CONECT   25   24   26   63   64                                       
CONECT   26   25   27   32   65                                       
CONECT   27   26   28   66   67                                       
CONECT   28   27   29   68   69                                       
CONECT   29   28   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   70                                                 
CONECT   32   26   33   71                                            
CONECT   33   32   35   34   34                                       
CONECT   34   33   33                                                 
CONECT   35   33   36   72   73                                       
CONECT   36   35   37   37   41                                       
CONECT   37   36   36   38   74                                       
CONECT   38   37   39   39   75                                       
CONECT   39   38   38   40   76                                       
CONECT   40   39   41   41   77                                       
CONECT   41   36   40   40   78                                       
CONECT   42   20   24   43   43                                       
CONECT   43   42   42                                                 
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   35                                                      
CONECT   73   35                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   40                                                      
CONECT   78   41                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
