COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.651   1.054  -0.060  1.00  0.00           C  
HETATM    2  C   UNL     1       1.722   0.185   0.139  1.00  0.00           C  
HETATM    3  C   UNL     1       1.500  -1.152   0.429  1.00  0.00           C  
HETATM    4  O   UNL     1       0.653   2.382  -0.361  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.635   2.940  -0.051  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.641   0.563   0.041  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.873  -0.779   0.332  1.00  0.00           C  
HETATM    8  C   UNL     1       0.209  -1.643   0.525  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.581   1.726  -0.211  1.00  0.00           C  
HETATM   10  C   UNL     1       0.053   2.814   2.351  1.00  0.00           C  
HETATM   11  C   UNL     1       0.026   3.288   3.649  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.729   4.409   3.961  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.757   4.877   5.236  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.455   5.051   2.968  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.425   4.573   1.673  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.667   3.459   1.363  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.518   1.603  -1.790  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.044   1.548  -3.073  1.00  0.00           C  
HETATM   19  O   UNL     1      -5.389   1.486  -3.254  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.196   1.556  -4.170  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.824   1.620  -3.982  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.990   1.629  -5.055  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.303   1.675  -2.697  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.150   1.666  -1.605  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.253  -1.287   0.432  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.473  -2.581   0.712  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.222  -2.705   0.710  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.448  -4.044   1.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -7.720  -4.512   1.093  1.00  0.00           O  
HETATM   30  C   UNL     1      -5.376  -4.907   1.196  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.084  -4.437   1.104  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.853  -3.089   0.812  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.934  -2.226   0.610  1.00  0.00           C  
HETATM   34  C   UNL     1       5.348  -0.366  -1.055  1.00  0.00           C  
HETATM   35  O   UNL     1       4.076  -0.979  -0.837  1.00  0.00           O  
HETATM   36  C   UNL     1       3.861  -1.417   0.507  1.00  0.00           C  
HETATM   37  O   UNL     1       2.555  -1.986   0.619  1.00  0.00           O  
HETATM   38  C   UNL     1       4.911  -2.469   0.872  1.00  0.00           C  
HETATM   39  O   UNL     1       4.734  -2.868   2.233  1.00  0.00           O  
HETATM   40  C   UNL     1       6.309  -1.870   0.691  1.00  0.00           C  
HETATM   41  O   UNL     1       7.295  -2.868   0.959  1.00  0.00           O  
HETATM   42  C   UNL     1       6.458  -1.377  -0.752  1.00  0.00           C  
HETATM   43  O   UNL     1       7.732  -0.750  -0.913  1.00  0.00           O  
HETATM   44  C   UNL     1       5.454   0.086  -2.513  1.00  0.00           C  
HETATM   45  O   UNL     1       4.493   1.113  -2.764  1.00  0.00           O  
HETATM   46  H   UNL     1       2.734   0.556   0.066  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.894   3.730  -0.757  1.00  0.00           H  
HETATM   48  H   UNL     1       0.039  -2.686   0.748  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.378   1.752   0.532  1.00  0.00           H  
HETATM   50  H   UNL     1       0.641   1.941   2.108  1.00  0.00           H  
HETATM   51  H   UNL     1       0.592   2.786   4.419  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.070   5.529   5.431  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.044   5.924   3.209  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.991   5.073   0.900  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.178   1.601  -0.936  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.816   2.351  -3.329  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.604   1.513  -5.169  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.787   2.514  -5.388  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.234   1.724  -2.550  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.087  -0.618   0.280  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.639  -3.250   0.864  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.058  -2.038   0.559  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.081  -4.836   0.256  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.556  -5.948   1.421  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.252  -5.108   1.256  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.760  -1.186   0.381  1.00  0.00           H  
HETATM   67  H   UNL     1       5.453   0.497  -0.398  1.00  0.00           H  
HETATM   68  H   UNL     1       3.947  -0.567   1.184  1.00  0.00           H  
HETATM   69  H   UNL     1       4.799  -3.336   0.221  1.00  0.00           H  
HETATM   70  H   UNL     1       3.867  -3.253   2.420  1.00  0.00           H  
HETATM   71  H   UNL     1       6.438  -1.033   1.377  1.00  0.00           H  
HETATM   72  H   UNL     1       7.259  -3.225   1.857  1.00  0.00           H  
HETATM   73  H   UNL     1       6.377  -2.222  -1.436  1.00  0.00           H  
HETATM   74  H   UNL     1       8.482  -1.332  -0.732  1.00  0.00           H  
HETATM   75  H   UNL     1       6.456   0.472  -2.701  1.00  0.00           H  
HETATM   76  H   UNL     1       5.261  -0.762  -3.171  1.00  0.00           H  
HETATM   77  H   UNL     1       4.503   1.448  -3.671  1.00  0.00           H  
CONECT    1    2    2    6    4                                       
CONECT    2    3    1    1   46                                       
CONECT    3   37    8    8    2                                       
CONECT    4    1    5                                                 
CONECT    5    4    9   16   47                                       
CONECT    6    7    7    1    9                                       
CONECT    7    8   25    6    6                                       
CONECT    8    3    3    7   48                                       
CONECT    9    6   24    5   49                                       
CONECT   10   16   11   11   50                                       
CONECT   11   10   10   12   51                                       
CONECT   12   14   14   11   13                                       
CONECT   13   12   52                                                 
CONECT   14   15   12   12   53                                       
CONECT   15   16   16   14   54                                       
CONECT   16    5   15   15   10                                       
CONECT   17   18   18   24   55                                       
CONECT   18   19   17   17   20                                       
CONECT   19   18   56                                                 
CONECT   20   18   21   21   57                                       
CONECT   21   20   20   23   22                                       
CONECT   22   21   58                                                 
CONECT   23   24   24   21   59                                       
CONECT   24   17    9   23   23                                       
CONECT   25   26   26    7   60                                       
CONECT   26   32   25   25   61                                       
CONECT   27   28   28   33   62                                       
CONECT   28   30   29   27   27                                       
CONECT   29   28   63                                                 
CONECT   30   31   31   28   64                                       
CONECT   31   30   30   32   65                                       
CONECT   32   31   26   33   33                                       
CONECT   33   32   32   27   66                                       
CONECT   34   42   44   35   67                                       
CONECT   35   34   36                                                 
CONECT   36   38   35   37   68                                       
CONECT   37   36    3                                                 
CONECT   38   40   39   36   69                                       
CONECT   39   38   70                                                 
CONECT   40   41   42   38   71                                       
CONECT   41   40   72                                                 
CONECT   42   43   40   34   73                                       
CONECT   43   42   74                                                 
CONECT   44   34   45   75   76                                       
CONECT   45   44   77                                                 
CONECT   46    2                                                      
CONECT   47    5                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   17                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   33                                                      
CONECT   67   34                                                      
CONECT   68   36                                                      
CONECT   69   38                                                      
CONECT   70   39                                                      
CONECT   71   40                                                      
CONECT   72   41                                                      
CONECT   73   42                                                      
CONECT   74   43                                                      
CONECT   75   44                                                      
CONECT   76   44                                                      
CONECT   77   45                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
