COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.459  -2.246   0.671  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.119   1.362  -0.754  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.816  -1.919   0.829  1.00  0.00           C  
HETATM    4  C   UNL     1     -10.101  -2.456   1.418  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.030  -0.712   0.248  1.00  0.00           C  
HETATM    6  C   UNL     1     -11.222  -1.628   0.755  1.00  0.00           C  
HETATM    7  C   UNL     1     -12.363  -1.363   1.740  1.00  0.00           C  
HETATM    8  C   UNL     1     -11.743  -2.323  -0.505  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.487  -0.318   0.398  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.569   0.955  -1.015  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.877  -1.210   0.006  1.00  0.00           C  
HETATM   12  O   UNL     1       2.685   2.901   1.351  1.00  0.00           O  
HETATM   13  C   UNL     1       1.715   2.483   0.740  1.00  0.00           C  
HETATM   14  C   UNL     1       1.316   1.135   0.887  1.00  0.00           C  
HETATM   15  N   UNL     1       2.030   0.275   1.731  1.00  0.00           N  
HETATM   16  C   UNL     1       3.374   0.008   1.479  1.00  0.00           C  
HETATM   17  N   UNL     1       4.070  -0.715   2.342  1.00  0.00           N  
HETATM   18  C   UNL     1       5.345  -0.991   2.144  1.00  0.00           C  
HETATM   19  C   UNL     1       6.004  -0.529   1.014  1.00  0.00           C  
HETATM   20  N   UNL     1       7.357  -0.828   0.812  1.00  0.00           N  
HETATM   21  C   UNL     1       8.165   0.399   0.759  1.00  0.00           C  
HETATM   22  C   UNL     1       7.961   1.199   2.047  1.00  0.00           C  
HETATM   23  C   UNL     1       9.643   0.028   0.617  1.00  0.00           C  
HETATM   24  N   UNL     1       9.829  -0.774  -0.601  1.00  0.00           N  
HETATM   25  C   UNL     1      11.248  -1.087  -0.813  1.00  0.00           C  
HETATM   26  C   UNL     1      11.551  -1.811  -2.132  1.00  0.00           C  
HETATM   27  O   UNL     1      12.487  -2.632  -1.421  1.00  0.00           O  
HETATM   28  C   UNL     1      11.696  -2.437  -0.239  1.00  0.00           C  
HETATM   29  C   UNL     1       9.021  -2.001  -0.549  1.00  0.00           C  
HETATM   30  C   UNL     1       7.543  -1.630  -0.406  1.00  0.00           C  
HETATM   31  C   UNL     1       5.303   0.235   0.083  1.00  0.00           C  
HETATM   32  C   UNL     1       3.967   0.500   0.321  1.00  0.00           C  
HETATM   33  C   UNL     1       0.228   0.681   0.198  1.00  0.00           C  
HETATM   34  N   UNL     1       1.024   3.309  -0.067  1.00  0.00           N  
HETATM   35  C   UNL     1       1.446   4.705  -0.205  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.059   2.867  -0.756  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.472   1.571  -0.646  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.657   1.101  -1.405  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.576   0.853  -2.779  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.698   0.416  -3.450  1.00  0.00           C  
HETATM   41  N   UNL     1      -3.840   0.230  -2.815  1.00  0.00           N  
HETATM   42  C   UNL     1      -2.879   0.889  -0.765  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.022   1.135   0.715  1.00  0.00           C  
HETATM   44  O   UNL     1      -3.447   2.481   0.935  1.00  0.00           O  
HETATM   45  C   UNL     1      -3.963   0.453  -1.515  1.00  0.00           C  
HETATM   46  N   UNL     1      -5.191   0.242  -0.892  1.00  0.00           N  
HETATM   47  C   UNL     1      -5.491  -0.995  -0.430  1.00  0.00           C  
HETATM   48  O   UNL     1      -4.658  -1.881  -0.378  1.00  0.00           O  
HETATM   49  N   UNL     1      -7.863  -0.275  -0.273  1.00  0.00           N  
HETATM   50  H   UNL     1      -6.969  -3.145   1.015  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.839   2.141  -1.463  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.041   1.763   0.257  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.217  -3.512   1.176  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.111  -2.312   2.499  1.00  0.00           H  
HETATM   55  H   UNL     1     -11.975  -0.833   2.610  1.00  0.00           H  
HETATM   56  H   UNL     1     -13.128  -0.756   1.256  1.00  0.00           H  
HETATM   57  H   UNL     1     -12.797  -2.311   2.056  1.00  0.00           H  
HETATM   58  H   UNL     1     -12.477  -1.684  -0.996  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.913  -2.512  -1.185  1.00  0.00           H  
HETATM   60  H   UNL     1     -12.211  -3.268  -0.231  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.601   0.410   1.201  1.00  0.00           H  
HETATM   62  H   UNL     1     -10.868   0.087  -0.539  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.237   1.748  -0.679  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.714   0.782  -2.081  1.00  0.00           H  
HETATM   65  H   UNL     1       1.588  -0.136   2.490  1.00  0.00           H  
HETATM   66  H   UNL     1       5.882  -1.584   2.870  1.00  0.00           H  
HETATM   67  H   UNL     1       7.857   1.001  -0.096  1.00  0.00           H  
HETATM   68  H   UNL     1       8.175   0.565   2.907  1.00  0.00           H  
HETATM   69  H   UNL     1       8.634   2.057   2.052  1.00  0.00           H  
HETATM   70  H   UNL     1       6.929   1.547   2.100  1.00  0.00           H  
HETATM   71  H   UNL     1      10.241   0.936   0.549  1.00  0.00           H  
HETATM   72  H   UNL     1       9.958  -0.551   1.485  1.00  0.00           H  
HETATM   73  H   UNL     1      11.916  -0.255  -0.590  1.00  0.00           H  
HETATM   74  H   UNL     1      10.700  -2.366  -2.525  1.00  0.00           H  
HETATM   75  H   UNL     1      12.018  -1.170  -2.880  1.00  0.00           H  
HETATM   76  H   UNL     1      12.292  -2.345   0.669  1.00  0.00           H  
HETATM   77  H   UNL     1      10.883  -3.156  -0.139  1.00  0.00           H  
HETATM   78  H   UNL     1       9.166  -2.571  -1.466  1.00  0.00           H  
HETATM   79  H   UNL     1       9.329  -2.603   0.306  1.00  0.00           H  
HETATM   80  H   UNL     1       6.945  -2.538  -0.338  1.00  0.00           H  
HETATM   81  H   UNL     1       7.228  -1.051  -1.274  1.00  0.00           H  
HETATM   82  H   UNL     1       5.791   0.608  -0.805  1.00  0.00           H  
HETATM   83  H   UNL     1       3.393   1.089  -0.380  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.092  -0.346   0.296  1.00  0.00           H  
HETATM   85  H   UNL     1       2.325   4.882   0.415  1.00  0.00           H  
HETATM   86  H   UNL     1       1.689   4.910  -1.247  1.00  0.00           H  
HETATM   87  H   UNL     1       0.638   5.363   0.116  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.599   3.547  -1.398  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.646   1.002  -3.308  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.642   0.222  -4.511  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.760   0.448   1.128  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.061   0.973   1.204  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.560   2.710   1.868  1.00  0.00           H  
CONECT    1   11   11    3   50                                       
CONECT    2   46   10   51   52                                       
CONECT    3    5    5    1    4                                       
CONECT    4    3    6   53   54                                       
CONECT    5   49    9    3    3                                       
CONECT    6    9    7    4    8                                       
CONECT    7    6   55   56   57                                       
CONECT    8    6   58   59   60                                       
CONECT    9    5    6   61   62                                       
CONECT   10    2   49   63   64                                       
CONECT   11   47   49    1    1                                       
CONECT   12   13   13                                                 
CONECT   13   14   12   12   34                                       
CONECT   14   15   33   33   13                                       
CONECT   15   16   14   65                                            
CONECT   16   32   32   17   15                                       
CONECT   17   18   18   16                                            
CONECT   18   19   17   17   66                                       
CONECT   19   20   31   31   18                                       
CONECT   20   21   30   19                                            
CONECT   21   23   22   20   67                                       
CONECT   22   21   68   69   70                                       
CONECT   23   24   21   71   72                                       
CONECT   24   25   23   29                                            
CONECT   25   26   28   24   73                                       
CONECT   26   27   25   74   75                                       
CONECT   27   26   28                                                 
CONECT   28   27   25   76   77                                       
CONECT   29   24   30   78   79                                       
CONECT   30   29   20   80   81                                       
CONECT   31   19   19   32   82                                       
CONECT   32   31   16   16   83                                       
CONECT   33   14   14   37   84                                       
CONECT   34   13   36   35                                            
CONECT   35   34   85   86   87                                       
CONECT   36   34   37   37   88                                       
CONECT   37   33   36   36   38                                       
CONECT   38   37   39   39   42                                       
CONECT   39   38   38   40   89                                       
CONECT   40   39   41   41   90                                       
CONECT   41   40   40   45                                            
CONECT   42   38   43   45   45                                       
CONECT   43   42   44   91   92                                       
CONECT   44   43   93                                                 
CONECT   45   42   42   41   46                                       
CONECT   46   45    2   47                                            
CONECT   47   46   48   48   11                                       
CONECT   48   47   47                                                 
CONECT   49   10   11    5                                            
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    2                                                      
CONECT   53    4                                                      
CONECT   54    4                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58    8                                                      
CONECT   59    8                                                      
CONECT   60    8                                                      
CONECT   61    9                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   10                                                      
CONECT   65   15                                                      
CONECT   66   18                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   23                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   26                                                      
CONECT   76   28                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   29                                                      
CONECT   80   30                                                      
CONECT   81   30                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   33                                                      
CONECT   85   35                                                      
CONECT   86   35                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   39                                                      
CONECT   90   40                                                      
CONECT   91   43                                                      
CONECT   92   43                                                      
CONECT   93   44                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
