COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.765  -2.368  -0.483  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.306  -1.919  -0.594  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.936  -1.083   0.633  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.757   0.208   0.637  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.387   1.044   1.863  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.897   1.388   1.815  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.075   0.097   1.811  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.446  -0.739   0.584  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.167   0.007  -0.603  1.00  0.00           O  
HETATM   10  C   UNL     1      -3.636  -2.010   0.580  1.00  0.00           C  
HETATM   11  O   UNL     1      -4.098  -3.022   1.051  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.265  -2.019  -0.006  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.740  -0.976  -0.337  1.00  0.00           O  
HETATM   14  N   UNL     1      -1.609  -3.185  -0.168  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.286  -4.466   0.080  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.132  -5.353  -1.159  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.648  -5.484  -1.506  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.073  -4.102  -1.827  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.206  -3.201  -0.602  1.00  0.00           C  
HETATM   20  C   UNL     1       0.229  -1.802  -0.957  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.249  -1.247  -1.918  1.00  0.00           O  
HETATM   22  O   UNL     1       1.146  -1.173  -0.206  1.00  0.00           O  
HETATM   23  C   UNL     1       1.517   0.172  -0.607  1.00  0.00           C  
HETATM   24  C   UNL     1       2.968   0.443  -0.203  1.00  0.00           C  
HETATM   25  C   UNL     1       3.897  -0.484  -0.989  1.00  0.00           C  
HETATM   26  C   UNL     1       5.326  -0.217  -0.592  1.00  0.00           C  
HETATM   27  C   UNL     1       5.893  -0.918   0.457  1.00  0.00           C  
HETATM   28  C   UNL     1       6.069   0.723  -1.281  1.00  0.00           C  
HETATM   29  C   UNL     1       7.381   0.971  -0.920  1.00  0.00           C  
HETATM   30  C   UNL     1       7.953   0.277   0.133  1.00  0.00           C  
HETATM   31  O   UNL     1       9.243   0.520   0.489  1.00  0.00           O  
HETATM   32  C   UNL     1       9.950   1.505  -0.267  1.00  0.00           C  
HETATM   33  C   UNL     1       7.206  -0.674   0.823  1.00  0.00           C  
HETATM   34  O   UNL     1       7.765  -1.361   1.855  1.00  0.00           O  
HETATM   35  C   UNL     1       6.940  -2.322   2.517  1.00  0.00           C  
HETATM   36  C   UNL     1       0.612   1.166   0.074  1.00  0.00           C  
HETATM   37  C   UNL     1       0.150   2.267  -0.620  1.00  0.00           C  
HETATM   38  C   UNL     1       0.241   0.973   1.392  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.589   1.883   2.020  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.049   2.989   1.331  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.683   3.182   0.008  1.00  0.00           C  
HETATM   42  O   UNL     1      -1.133   4.270  -0.672  1.00  0.00           O  
HETATM   43  C   UNL     1      -1.982   5.173   0.040  1.00  0.00           C  
HETATM   44  C   UNL     1      -2.380   6.309  -0.867  1.00  0.00           C  
HETATM   45  O   UNL     1      -1.977   6.341  -2.006  1.00  0.00           O  
HETATM   46  O   UNL     1      -3.181   7.284  -0.410  1.00  0.00           O  
HETATM   47  H   UNL     1      -8.029  -2.964  -1.357  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.893  -2.968   0.418  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.411  -1.492  -0.432  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.659  -2.795  -0.645  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.178  -1.319  -1.495  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.148  -1.652   1.538  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.545   0.777  -0.268  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.819  -0.037   0.672  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.972   1.964   1.866  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.599   0.475   2.769  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.684   1.957   0.910  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.633   1.984   2.688  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.013   0.343   1.776  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.287  -0.472   2.716  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.239   0.260  -0.700  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.833  -4.958   0.941  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.344  -4.288   0.274  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.546  -6.340  -0.953  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.664  -4.903  -1.997  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.112  -5.911  -0.658  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.534  -6.135  -2.373  1.00  0.00           H  
HETATM   68  H   UNL     1       0.978  -4.199  -2.098  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.624  -3.664  -2.660  1.00  0.00           H  
HETATM   70  H   UNL     1       0.421  -3.587   0.202  1.00  0.00           H  
HETATM   71  H   UNL     1       1.416   0.270  -1.688  1.00  0.00           H  
HETATM   72  H   UNL     1       3.218   1.481  -0.424  1.00  0.00           H  
HETATM   73  H   UNL     1       3.089   0.259   0.864  1.00  0.00           H  
HETATM   74  H   UNL     1       3.647  -1.522  -0.769  1.00  0.00           H  
HETATM   75  H   UNL     1       3.776  -0.300  -2.057  1.00  0.00           H  
HETATM   76  H   UNL     1       5.312  -1.655   0.991  1.00  0.00           H  
HETATM   77  H   UNL     1       5.624   1.265  -2.102  1.00  0.00           H  
HETATM   78  H   UNL     1       7.960   1.706  -1.460  1.00  0.00           H  
HETATM   79  H   UNL     1      10.965   1.600   0.119  1.00  0.00           H  
HETATM   80  H   UNL     1       9.987   1.202  -1.314  1.00  0.00           H  
HETATM   81  H   UNL     1       9.438   2.464  -0.184  1.00  0.00           H  
HETATM   82  H   UNL     1       7.506  -2.797   3.318  1.00  0.00           H  
HETATM   83  H   UNL     1       6.067  -1.822   2.937  1.00  0.00           H  
HETATM   84  H   UNL     1       6.617  -3.078   1.802  1.00  0.00           H  
HETATM   85  H   UNL     1       0.438   2.416  -1.650  1.00  0.00           H  
HETATM   86  H   UNL     1       0.599   0.108   1.932  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.879   1.729   3.049  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.698   3.700   1.822  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.875   4.645   0.374  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.449   5.568   0.904  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.408   7.991  -1.029  1.00  0.00           H  
CONECT    1    2   47   48   49                                       
CONECT    2    3    1   50   51                                       
CONECT    3    4    8    2   52                                       
CONECT    4    5    3   53   54                                       
CONECT    5    6    4   55   56                                       
CONECT    6    5    7   57   58                                       
CONECT    7    6    8   59   60                                       
CONECT    8    7    9    3   10                                       
CONECT    9    8   61                                                 
CONECT   10    8   12   11   11                                       
CONECT   11   10   10                                                 
CONECT   12   10   14   13   13                                       
CONECT   13   12   12                                                 
CONECT   14   15   12   19                                            
CONECT   15   14   16   62   63                                       
CONECT   16   15   17   64   65                                       
CONECT   17   16   18   66   67                                       
CONECT   18   17   19   68   69                                       
CONECT   19   20   14   18   70                                       
CONECT   20   22   21   21   19                                       
CONECT   21   20   20                                                 
CONECT   22   23   20                                                 
CONECT   23   36   24   22   71                                       
CONECT   24   25   23   72   73                                       
CONECT   25   26   24   74   75                                       
CONECT   26   25   28   28   27                                       
CONECT   27   26   33   33   76                                       
CONECT   28   26   26   29   77                                       
CONECT   29   28   30   30   78                                       
CONECT   30   29   29   33   31                                       
CONECT   31   30   32                                                 
CONECT   32   31   79   80   81                                       
CONECT   33   27   27   30   34                                       
CONECT   34   33   35                                                 
CONECT   35   34   82   83   84                                       
CONECT   36   37   37   38   23                                       
CONECT   37   41   36   36   85                                       
CONECT   38   39   39   36   86                                       
CONECT   39   40   38   38   87                                       
CONECT   40   41   41   39   88                                       
CONECT   41   42   40   40   37                                       
CONECT   42   43   41                                                 
CONECT   43   44   42   89   90                                       
CONECT   44   45   45   46   43                                       
CONECT   45   44   44                                                 
CONECT   46   44   91                                                 
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61    9                                                      
CONECT   62   15                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   25                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   32                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   35                                                      
CONECT   83   35                                                      
CONECT   84   35                                                      
CONECT   85   37                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   40                                                      
CONECT   89   43                                                      
CONECT   90   43                                                      
CONECT   91   46                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
