COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.747   0.475  -1.856  1.00  0.00           C  
HETATM    2  C   UNL     1       0.091   1.369  -2.498  1.00  0.00           C  
HETATM    3  C   UNL     1       0.198   1.361  -3.877  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.531   0.458  -4.623  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.379  -0.447  -3.982  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.479  -0.435  -2.589  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.857   0.492  -0.353  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.976   1.448   0.064  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.086   1.465   1.567  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.902   0.595   2.193  1.00  0.00           N  
HETATM   11  O   UNL     1      -1.439   2.262   2.213  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.672   2.797  -0.418  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.545   3.419  -0.016  1.00  0.00           C  
HETATM   14  O   UNL     1       0.216   2.861   0.744  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.232   4.807  -0.513  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.009   0.611   3.654  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.808  -0.084   4.260  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.432  -1.284   3.806  1.00  0.00           N  
HETATM   19  O   UNL     1      -1.190   0.441   5.161  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.169  -1.932   2.709  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.522  -2.408   3.241  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.276  -1.956   4.403  1.00  0.00           C  
HETATM   23  C   UNL     1       0.974  -1.557   3.663  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.555  -1.300   3.159  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.276  -0.131   4.086  1.00  0.00           C  
HETATM   26  C   UNL     1       1.399  -2.302   2.577  1.00  0.00           C  
HETATM   27  C   UNL     1       2.541  -1.938   1.893  1.00  0.00           C  
HETATM   28  C   UNL     1       3.272  -0.825   2.303  1.00  0.00           C  
HETATM   29  C   UNL     1       2.841  -0.082   3.401  1.00  0.00           C  
HETATM   30  C   UNL     1       1.695  -0.451   4.075  1.00  0.00           C  
HETATM   31  C   UNL     1       4.503  -0.432   1.574  1.00  0.00           C  
HETATM   32  C   UNL     1       4.777   0.913   1.339  1.00  0.00           C  
HETATM   33  C   UNL     1       5.927   1.273   0.666  1.00  0.00           C  
HETATM   34  C   UNL     1       6.801   0.300   0.215  1.00  0.00           C  
HETATM   35  C   UNL     1       6.531  -1.037   0.441  1.00  0.00           C  
HETATM   36  C   UNL     1       5.387  -1.408   1.118  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.164  -1.416  -4.774  1.00  0.00           C  
HETATM   38  O   UNL     1      -3.053  -2.222  -4.163  1.00  0.00           O  
HETATM   39  O   UNL     1      -2.008  -1.486  -5.977  1.00  0.00           O  
HETATM   40  C   UNL     1      -0.413   0.449  -6.125  1.00  0.00           C  
HETATM   41  C   UNL     1       0.506  -0.664  -6.550  1.00  0.00           C  
HETATM   42  O   UNL     1       0.762  -0.864  -7.853  1.00  0.00           O  
HETATM   43  O   UNL     1       1.015  -1.379  -5.719  1.00  0.00           O  
HETATM   44  H   UNL     1       0.665   2.078  -1.919  1.00  0.00           H  
HETATM   45  H   UNL     1       0.854   2.062  -4.371  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.132  -1.133  -2.088  1.00  0.00           H  
HETATM   47  H   UNL     1       0.086   0.827   0.075  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.083  -0.511   0.005  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.920   1.113  -0.364  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.419  -0.042   1.677  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.281   3.243  -1.026  1.00  0.00           H  
HETATM   52  H   UNL     1       0.711   5.142  -0.083  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.153   4.794  -1.600  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.029   5.488  -0.214  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.051   1.642   4.007  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.600  -2.786   2.340  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.324  -1.218   1.900  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.409  -2.717   4.280  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.861  -3.259   2.650  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.409  -3.036   4.336  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.187  -1.665   5.450  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.532  -1.715   3.408  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.589  -0.930   2.134  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.145  -0.502   5.102  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.121   0.556   4.062  1.00  0.00           H  
HETATM   66  H   UNL     1       0.832  -3.165   2.260  1.00  0.00           H  
HETATM   67  H   UNL     1       2.870  -2.518   1.043  1.00  0.00           H  
HETATM   68  H   UNL     1       3.404   0.781   3.723  1.00  0.00           H  
HETATM   69  H   UNL     1       1.361   0.123   4.925  1.00  0.00           H  
HETATM   70  H   UNL     1       4.095   1.673   1.690  1.00  0.00           H  
HETATM   71  H   UNL     1       6.143   2.316   0.487  1.00  0.00           H  
HETATM   72  H   UNL     1       7.697   0.586  -0.314  1.00  0.00           H  
HETATM   73  H   UNL     1       7.217  -1.792   0.087  1.00  0.00           H  
HETATM   74  H   UNL     1       5.178  -2.452   1.295  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.567  -2.857  -4.681  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.398   0.295  -6.566  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.009   1.404  -6.463  1.00  0.00           H  
HETATM   78  H   UNL     1       1.353  -1.579  -8.126  1.00  0.00           H  
CONECT    1    2    2    6    7                                       
CONECT    2    1    1    3   44                                       
CONECT    3    2    4    4   45                                       
CONECT    4    3    3    5   40                                       
CONECT    5    4    6    6   37                                       
CONECT    6    1    5    5   46                                       
CONECT    7    1    8   47   48                                       
CONECT    8    7    9   12   49                                       
CONECT    9    8   10   11   11                                       
CONECT   10    9   16   50                                            
CONECT   11    9    9                                                 
CONECT   12    8   13   51                                            
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   52   53   54                                       
CONECT   16   10   17   25   55                                       
CONECT   17   16   18   19   19                                       
CONECT   18   17   20   22                                            
CONECT   19   17   17                                                 
CONECT   20   18   21   56   57                                       
CONECT   21   20   24   58   59                                       
CONECT   22   18   23   60   61                                       
CONECT   23   22   26   30   30                                       
CONECT   24   21   25   62   63                                       
CONECT   25   16   24   64   65                                       
CONECT   26   23   27   27   66                                       
CONECT   27   26   26   28   67                                       
CONECT   28   27   29   29   31                                       
CONECT   29   28   28   30   68                                       
CONECT   30   23   23   29   69                                       
CONECT   31   28   32   36   36                                       
CONECT   32   31   33   33   70                                       
CONECT   33   32   32   34   71                                       
CONECT   34   33   35   35   72                                       
CONECT   35   34   34   36   73                                       
CONECT   36   31   31   35   74                                       
CONECT   37    5   38   39   39                                       
CONECT   38   37   75                                                 
CONECT   39   37   37                                                 
CONECT   40    4   41   76   77                                       
CONECT   41   40   42   43   43                                       
CONECT   42   41   78                                                 
CONECT   43   41   41                                                 
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50   10                                                      
CONECT   51   12                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   38                                                      
CONECT   76   40                                                      
CONECT   77   40                                                      
CONECT   78   42                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
