COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.903  -2.809  -0.177  1.00  0.00           C  
HETATM    2  C   UNL     1       3.916  -1.253   0.001  1.00  0.00           C  
HETATM    3  C   UNL     1       3.601  -3.467  -0.989  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.299   0.039  -0.386  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.250   1.593  -0.484  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.063   2.244   0.527  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.578  -1.608  -0.305  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.782  -3.892  -1.177  1.00  0.00           C  
HETATM    9  C   UNL     1       1.287  -3.092  -1.932  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.390   3.022   1.659  1.00  0.00           C  
HETATM   11  C   UNL     1       2.245  -2.739  -0.813  1.00  0.00           C  
HETATM   12  C   UNL     1       2.662  -1.255  -0.917  1.00  0.00           C  
HETATM   13  C   UNL     1       3.398  -1.364   1.441  1.00  0.00           C  
HETATM   14  C   UNL     1       4.083   1.136   0.096  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.971   2.952   1.508  1.00  0.00           O  
HETATM   16  C   UNL     1      -5.581   2.422   0.616  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.911   3.802   0.441  1.00  0.00           O  
HETATM   18  O   UNL     1      -7.670   1.695  -0.363  1.00  0.00           O  
HETATM   19  O   UNL     1      -3.739   0.857   0.644  1.00  0.00           O  
HETATM   20  O   UNL     1      -3.887  -1.339  -0.186  1.00  0.00           O  
HETATM   21  C   UNL     1      -5.826   0.128  -0.333  1.00  0.00           C  
HETATM   22  O   UNL     1      -6.387  -0.643  -1.398  1.00  0.00           O  
HETATM   23  O   UNL     1       0.453   1.817  -1.867  1.00  0.00           O  
HETATM   24  C   UNL     1       1.433   2.856  -1.885  1.00  0.00           C  
HETATM   25  C   UNL     1       2.417   2.649  -0.732  1.00  0.00           C  
HETATM   26  C   UNL     1       3.392   3.829  -0.675  1.00  0.00           C  
HETATM   27  O   UNL     1       2.669   5.033  -0.408  1.00  0.00           O  
HETATM   28  C   UNL     1       4.411   3.586   0.442  1.00  0.00           C  
HETATM   29  O   UNL     1       5.368   4.646   0.455  1.00  0.00           O  
HETATM   30  O   UNL     1       3.148   1.439  -0.942  1.00  0.00           O  
HETATM   31  C   UNL     1       5.124   2.254   0.186  1.00  0.00           C  
HETATM   32  O   UNL     1       6.026   1.982   1.261  1.00  0.00           O  
HETATM   33  O   UNL     1      -1.801  -0.720  -0.568  1.00  0.00           O  
HETATM   34  C   UNL     1      -2.076  -3.015  -0.112  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.529  -3.547   1.246  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.584  -3.140  -0.314  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.102  -2.509  -1.619  1.00  0.00           C  
HETATM   38  C   UNL     1       4.633  -2.545  -0.364  1.00  0.00           C  
HETATM   39  C   UNL     1       2.708  -2.704   1.664  1.00  0.00           C  
HETATM   40  C   UNL     1       1.724  -3.085   0.570  1.00  0.00           C  
HETATM   41  C   UNL     1       0.286  -2.675   0.849  1.00  0.00           C  
HETATM   42  C   UNL     1       0.185  -1.175   1.097  1.00  0.00           C  
HETATM   43  C   UNL     1      -0.185  -3.405   2.119  1.00  0.00           C  
HETATM   44  C   UNL     1      -1.648  -3.067   2.390  1.00  0.00           C  
HETATM   45  O   UNL     1       4.736  -0.101  -0.198  1.00  0.00           O  
HETATM   46  H   UNL     1       6.288  -3.792  -0.405  1.00  0.00           H  
HETATM   47  H   UNL     1       6.564  -2.044   0.201  1.00  0.00           H  
HETATM   48  H   UNL     1       3.572  -4.420  -0.468  1.00  0.00           H  
HETATM   49  H   UNL     1       3.802  -3.610  -2.047  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.948   0.386  -1.357  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.940   1.963  -1.462  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.708   2.620  -0.433  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.532  -3.526  -2.173  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.449  -4.925  -1.076  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.861  -3.842  -1.032  1.00  0.00           H  
HETATM   56  H   UNL     1       1.651  -2.670  -2.869  1.00  0.00           H  
HETATM   57  H   UNL     1       1.212  -4.175  -2.020  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.708   4.064   1.623  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.676   2.588   2.618  1.00  0.00           H  
HETATM   60  H   UNL     1       1.907  -0.561  -0.585  1.00  0.00           H  
HETATM   61  H   UNL     1       2.951  -1.014  -1.952  1.00  0.00           H  
HETATM   62  H   UNL     1       4.250  -1.287   2.127  1.00  0.00           H  
HETATM   63  H   UNL     1       2.717  -0.543   1.651  1.00  0.00           H  
HETATM   64  H   UNL     1       3.556   1.051   1.046  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.479   3.425   2.194  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.930   2.084   1.591  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.858   3.988   0.486  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.159   1.189  -1.027  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.181  -0.257   0.623  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.155  -1.582  -1.367  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.206   1.884  -2.572  1.00  0.00           H  
HETATM   72  H   UNL     1       1.972   2.832  -2.832  1.00  0.00           H  
HETATM   73  H   UNL     1       0.940   3.822  -1.773  1.00  0.00           H  
HETATM   74  H   UNL     1       1.869   2.585   0.207  1.00  0.00           H  
HETATM   75  H   UNL     1       3.911   3.920  -1.629  1.00  0.00           H  
HETATM   76  H   UNL     1       3.225   5.822  -0.358  1.00  0.00           H  
HETATM   77  H   UNL     1       3.897   3.547   1.403  1.00  0.00           H  
HETATM   78  H   UNL     1       6.045   4.556   1.140  1.00  0.00           H  
HETATM   79  H   UNL     1       5.679   2.312  -0.750  1.00  0.00           H  
HETATM   80  H   UNL     1       6.714   2.651   1.377  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.560  -3.220   1.427  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.524  -4.642   1.219  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.377  -4.236  -0.423  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.027  -1.430  -1.527  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.775  -2.756  -2.437  1.00  0.00           H  
HETATM   86  H   UNL     1       3.473  -3.484   1.732  1.00  0.00           H  
HETATM   87  H   UNL     1       2.186  -2.673   2.623  1.00  0.00           H  
HETATM   88  H   UNL     1       1.702  -4.209   0.597  1.00  0.00           H  
HETATM   89  H   UNL     1       0.413  -0.638   0.177  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.826  -0.928   1.421  1.00  0.00           H  
HETATM   91  H   UNL     1       0.895  -0.886   1.872  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.077  -4.479   1.968  1.00  0.00           H  
HETATM   93  H   UNL     1       0.427  -3.091   2.962  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.781  -2.003   2.559  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.956  -3.585   3.312  1.00  0.00           H  
CONECT    1   38   38   46   47                                       
CONECT    2   13   38   12   45                                       
CONECT    3   11   38   48   49                                       
CONECT    4   20   19   21   50                                       
CONECT    5   21   16   18   51                                       
CONECT    6   19   10   16   52                                       
CONECT    7   33   33   34   20                                       
CONECT    8   34   53   54   55                                       
CONECT    9   11   37   56   57                                       
CONECT   10   15    6   58   59                                       
CONECT   11   40    3    9   12                                       
CONECT   12   11    2   60   61                                       
CONECT   13   39    2   62   63                                       
CONECT   14   45   30   31   64                                       
CONECT   15   10   65                                                 
CONECT   16    6    5   17   66                                       
CONECT   17   16   67                                                 
CONECT   18    5   68                                                 
CONECT   19    4    6                                                 
CONECT   20    7    4                                                 
CONECT   21    4   22    5   69                                       
CONECT   22   21   70                                                 
CONECT   23   24   71                                                 
CONECT   24   23   25   72   73                                       
CONECT   25   30   24   26   74                                       
CONECT   26   25   28   27   75                                       
CONECT   27   26   76                                                 
CONECT   28   31   26   29   77                                       
CONECT   29   28   78                                                 
CONECT   30   14   25                                                 
CONECT   31   14   32   28   79                                       
CONECT   32   31   80                                                 
CONECT   33    7    7                                                 
CONECT   34   35    8    7   36                                       
CONECT   35   44   34   81   82                                       
CONECT   36   34   41   37   83                                       
CONECT   37   36    9   84   85                                       
CONECT   38    3    2    1    1                                       
CONECT   39   40   13   86   87                                       
CONECT   40   41   39   11   88                                       
CONECT   41   43   42   40   36                                       
CONECT   42   41   89   90   91                                       
CONECT   43   44   41   92   93                                       
CONECT   44   35   43   94   95                                       
CONECT   45    2   14                                                 
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   13                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   35                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   37                                                      
CONECT   85   37                                                      
CONECT   86   39                                                      
CONECT   87   39                                                      
CONECT   88   40                                                      
CONECT   89   42                                                      
CONECT   90   42                                                      
CONECT   91   42                                                      
CONECT   92   43                                                      
CONECT   93   43                                                      
CONECT   94   44                                                      
CONECT   95   44                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
