COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.858  -3.070  -0.628  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.083   3.752   0.552  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.047   2.802   0.496  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.433   1.575   0.177  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.844   3.134   0.284  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.119   0.380  -0.016  1.00  0.00           C  
HETATM    7  C   UNL     1       3.810   2.928  -0.366  1.00  0.00           C  
HETATM    8  C   UNL     1       2.866   3.875  -0.161  1.00  0.00           C  
HETATM    9  C   UNL     1       1.587   3.168  -0.027  1.00  0.00           C  
HETATM   10  C   UNL     1       3.113   1.634  -0.359  1.00  0.00           C  
HETATM   11  C   UNL     1       3.765   0.408  -0.482  1.00  0.00           C  
HETATM   12  C   UNL     1       3.812  -2.115  -0.572  1.00  0.00           C  
HETATM   13  C   UNL     1       0.366   3.805   0.237  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.522   3.024   0.710  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.208   3.230  -0.642  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.683   3.452  -0.428  1.00  0.00           C  
HETATM   17  C   UNL     1       3.084   5.364  -0.084  1.00  0.00           C  
HETATM   18  C   UNL     1       3.012  -5.152   0.709  1.00  0.00           C  
HETATM   19  C   UNL     1       3.231  -6.641   0.638  1.00  0.00           C  
HETATM   20  C   UNL     1       5.287   3.156  -0.564  1.00  0.00           C  
HETATM   21  C   UNL     1       6.010   3.007   0.776  1.00  0.00           C  
HETATM   22  C   UNL     1       7.486   3.235   0.579  1.00  0.00           C  
HETATM   23  C   UNL     1       3.107  -0.825  -0.515  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.591  -2.273  -0.563  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.090  -2.622   0.841  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.579  -2.849   0.802  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.385  -4.454  -0.986  1.00  0.00           C  
HETATM   28  C   UNL     1       3.077  -4.559  -0.700  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.298   5.210   0.864  1.00  0.00           C  
HETATM   30  C   UNL     1       5.303  -2.329  -0.568  1.00  0.00           C  
HETATM   31  C   UNL     1       1.566  -2.372  -0.600  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.102  -2.045  -0.525  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.144  -2.992  -0.710  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.885  -2.366  -0.598  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.460  -0.815  -0.292  1.00  0.00           C  
HETATM   36  C   UNL     1       0.325  -3.025  -0.695  1.00  0.00           C  
HETATM   37  N   UNL     1       1.796  -1.066  -0.492  1.00  0.00           N  
HETATM   38  N   UNL     1      -1.103  -1.021  -0.376  1.00  0.00           N  
HETATM   39  N   UNL     1      -1.077   1.791   0.085  1.00  0.00           N  
HETATM   40  N   UNL     1       1.809   1.864  -0.185  1.00  0.00           N  
HETATM   41  O   UNL     1      -7.491   3.656  -1.480  1.00  0.00           O  
HETATM   42  O   UNL     1      -7.139   3.447   0.692  1.00  0.00           O  
HETATM   43  O   UNL     1       3.419  -7.174  -0.430  1.00  0.00           O  
HETATM   44  O   UNL     1       3.216  -7.377   1.761  1.00  0.00           O  
HETATM   45  O   UNL     1       7.916   3.491  -0.521  1.00  0.00           O  
HETATM   46  O   UNL     1       8.324   3.154   1.625  1.00  0.00           O  
HETATM   47  O   UNL     1      -7.180  -2.744  -0.241  1.00  0.00           O  
HETATM   48  O   UNL     1      -7.238  -3.170   1.927  1.00  0.00           O  
HETATM   49  H   UNL     1      -4.204   0.379   0.057  1.00  0.00           H  
HETATM   50  H   UNL     1       4.855   0.410  -0.552  1.00  0.00           H  
HETATM   51  H   UNL     1       0.368   4.879   0.415  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.952   2.155   1.207  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.670   3.908   1.330  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.778   4.099  -1.140  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.061   2.346  -1.262  1.00  0.00           H  
HETATM   56  H   UNL     1       2.990   5.797  -1.080  1.00  0.00           H  
HETATM   57  H   UNL     1       2.338   5.807   0.576  1.00  0.00           H  
HETATM   58  H   UNL     1       4.081   5.565   0.307  1.00  0.00           H  
HETATM   59  H   UNL     1       2.033  -4.949   1.144  1.00  0.00           H  
HETATM   60  H   UNL     1       3.786  -4.701   1.330  1.00  0.00           H  
HETATM   61  H   UNL     1       5.676   2.423  -1.270  1.00  0.00           H  
HETATM   62  H   UNL     1       5.450   4.161  -0.955  1.00  0.00           H  
HETATM   63  H   UNL     1       5.620   3.740   1.483  1.00  0.00           H  
HETATM   64  H   UNL     1       5.846   2.003   1.168  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.816  -3.095  -1.243  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.089  -1.367  -0.911  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.593  -3.527   1.188  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.866  -1.800   1.521  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.449  -4.615  -2.062  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.562  -5.041  -0.580  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.319  -4.763  -0.517  1.00  0.00           H  
HETATM   72  H   UNL     1       2.303  -5.011  -1.320  1.00  0.00           H  
HETATM   73  H   UNL     1       4.055  -4.762  -1.135  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.339   5.729   0.852  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.957   5.649   0.115  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.752   5.309   1.850  1.00  0.00           H  
HETATM   77  H   UNL     1       5.673  -2.330  -1.593  1.00  0.00           H  
HETATM   78  H   UNL     1       5.784  -1.526  -0.009  1.00  0.00           H  
HETATM   79  H   UNL     1       5.532  -3.286  -0.099  1.00  0.00           H  
HETATM   80  H   UNL     1       0.320  -4.103  -0.851  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.403   1.116  -0.090  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.430   3.794  -1.293  1.00  0.00           H  
HETATM   83  H   UNL     1       3.361  -8.328   1.665  1.00  0.00           H  
HETATM   84  H   UNL     1       9.262   3.308   1.448  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.193  -3.306   1.853  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.417  -0.340  -0.295  1.00  0.00           H  
CONECT    1   12   12   31   28                                       
CONECT    2   29    5    3    3                                       
CONECT    3    2    2   14    4                                       
CONECT    4    3   39    6    6                                       
CONECT    5   13   13    2   39                                       
CONECT    6    4    4   35   49                                       
CONECT    7    8    8   20   10                                       
CONECT    8   17    7    7    9                                       
CONECT    9    8   13   40   40                                       
CONECT   10    7   40   11   11                                       
CONECT   11   10   10   23   50                                       
CONECT   12   23   30    1    1                                       
CONECT   13    9    5    5   51                                       
CONECT   14   15    3   52   53                                       
CONECT   15   14   16   54   55                                       
CONECT   16   15   42   42   41                                       
CONECT   17    8   56   57   58                                       
CONECT   18   19   28   59   60                                       
CONECT   19   43   43   44   18                                       
CONECT   20    7   21   61   62                                       
CONECT   21   20   22   63   64                                       
CONECT   22   21   45   45   46                                       
CONECT   23   11   37   37   12                                       
CONECT   24   32   25   65   66                                       
CONECT   25   24   26   67   68                                       
CONECT   26   25   47   47   48                                       
CONECT   27   33   69   70   71                                       
CONECT   28    1   18   72   73                                       
CONECT   29    2   74   75   76                                       
CONECT   30   12   77   78   79                                       
CONECT   31   37    1   36   36                                       
CONECT   32   35   35   33   24                                       
CONECT   33   34   34   32   27                                       
CONECT   34   38   36   33   33                                       
CONECT   35    6   38   32   32                                       
CONECT   36   31   31   34   80                                       
CONECT   37   23   23   31                                            
CONECT   38   35   34   86                                            
CONECT   39    5    4   81                                            
CONECT   40    9    9   10                                            
CONECT   41   16   82                                                 
CONECT   42   16   16                                                 
CONECT   43   19   19                                                 
CONECT   44   19   83                                                 
CONECT   45   22   22                                                 
CONECT   46   22   84                                                 
CONECT   47   26   26                                                 
CONECT   48   26   85                                                 
CONECT   49    6                                                      
CONECT   50   11                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   30                                                      
CONECT   80   36                                                      
CONECT   81   39                                                      
CONECT   82   41                                                      
CONECT   83   44                                                      
CONECT   84   46                                                      
CONECT   85   48                                                      
CONECT   86   38                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
