COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.901   2.807   0.999  1.00  0.00           C  
HETATM    2  C   UNL     1       6.205   1.337   0.703  1.00  0.00           C  
HETATM    3  C   UNL     1       4.924   0.511   0.849  1.00  0.00           C  
HETATM    4  O   UNL     1       3.970   0.910  -0.168  1.00  0.00           O  
HETATM    5  C   UNL     1       3.055   1.860   0.075  1.00  0.00           C  
HETATM    6  O   UNL     1       3.059   2.455   1.127  1.00  0.00           O  
HETATM    7  C   UNL     1       2.002   2.190  -0.961  1.00  0.00           C  
HETATM    8  C   UNL     1       2.045   3.698  -1.236  1.00  0.00           C  
HETATM    9  C   UNL     1       0.649   1.820  -0.422  1.00  0.00           C  
HETATM   10  O   UNL     1       0.403   2.103   0.741  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.417   1.132  -1.219  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.146   1.105  -2.713  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.768  -0.232  -0.651  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.090  -0.592  -1.080  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.995  -0.098  -0.090  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.031   1.327  -0.150  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.797   1.786   0.962  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.705   3.311   1.048  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.261   1.375   0.787  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.347  -0.155   0.735  1.00  0.00           C  
HETATM   21  N   UNL     1      -6.723  -0.560   0.417  1.00  0.00           N  
HETATM   22  C   UNL     1      -6.762  -2.026   0.503  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.575  -0.051   1.500  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.393  -0.662  -0.352  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.855  -0.230  -1.633  1.00  0.00           O  
HETATM   26  C   UNL     1       0.190  -1.363  -1.032  1.00  0.00           C  
HETATM   27  C   UNL     1       1.628  -0.865  -1.040  1.00  0.00           C  
HETATM   28  C   UNL     1       0.013  -2.488  -0.013  1.00  0.00           C  
HETATM   29  C   UNL     1       1.037  -3.607  -0.082  1.00  0.00           C  
HETATM   30  C   UNL     1       1.432  -3.976  -1.503  1.00  0.00           C  
HETATM   31  C   UNL     1       2.225  -3.309   0.786  1.00  0.00           C  
HETATM   32  O   UNL     1       2.205  -3.667   1.953  1.00  0.00           O  
HETATM   33  C   UNL     1       3.410  -2.610   0.292  1.00  0.00           C  
HETATM   34  C   UNL     1       4.085  -1.805   1.105  1.00  0.00           C  
HETATM   35  C   UNL     1       5.267  -0.977   0.692  1.00  0.00           C  
HETATM   36  C   UNL     1       5.679  -1.248  -0.751  1.00  0.00           C  
HETATM   37  H   UNL     1       6.813   3.395   0.895  1.00  0.00           H  
HETATM   38  H   UNL     1       5.151   3.171   0.296  1.00  0.00           H  
HETATM   39  H   UNL     1       5.522   2.901   2.016  1.00  0.00           H  
HETATM   40  H   UNL     1       6.584   1.242  -0.315  1.00  0.00           H  
HETATM   41  H   UNL     1       6.954   0.972   1.405  1.00  0.00           H  
HETATM   42  H   UNL     1       4.497   0.676   1.838  1.00  0.00           H  
HETATM   43  H   UNL     1       2.232   1.655  -1.876  1.00  0.00           H  
HETATM   44  H   UNL     1       3.032   3.972  -1.609  1.00  0.00           H  
HETATM   45  H   UNL     1       1.291   3.952  -1.982  1.00  0.00           H  
HETATM   46  H   UNL     1       1.841   4.242  -0.314  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.338   1.760  -1.090  1.00  0.00           H  
HETATM   48  H   UNL     1       0.840   0.676  -2.896  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.903   0.498  -3.209  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.178   2.121  -3.107  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.789  -0.161   0.448  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.657  -0.411   0.898  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.404   1.347   1.879  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.096   3.751   0.130  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.291   3.663   1.897  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.664   3.605   1.177  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.846   1.745   1.629  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.649   1.794  -0.141  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.058  -0.570   1.701  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.768  -2.377   0.273  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.057  -2.451  -0.212  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.489  -2.338   1.511  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.578   1.039   1.478  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.592  -0.420   1.366  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.187  -0.395   2.459  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.356  -1.751  -0.326  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.228  -0.570  -2.286  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.079  -1.730  -2.026  1.00  0.00           H  
HETATM   69  H   UNL     1       1.917  -0.570  -0.031  1.00  0.00           H  
HETATM   70  H   UNL     1       2.286  -1.661  -1.389  1.00  0.00           H  
HETATM   71  H   UNL     1       1.711  -0.007  -1.707  1.00  0.00           H  
HETATM   72  H   UNL     1       0.042  -2.045   0.995  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.992  -2.915  -0.140  1.00  0.00           H  
HETATM   74  H   UNL     1       0.551  -4.511   0.355  1.00  0.00           H  
HETATM   75  H   UNL     1       1.948  -3.136  -1.967  1.00  0.00           H  
HETATM   76  H   UNL     1       2.093  -4.843  -1.483  1.00  0.00           H  
HETATM   77  H   UNL     1       0.537  -4.216  -2.078  1.00  0.00           H  
HETATM   78  H   UNL     1       3.727  -2.786  -0.725  1.00  0.00           H  
HETATM   79  H   UNL     1       3.753  -1.742   2.145  1.00  0.00           H  
HETATM   80  H   UNL     1       6.112  -1.207   1.352  1.00  0.00           H  
HETATM   81  H   UNL     1       4.848  -1.011  -1.417  1.00  0.00           H  
HETATM   82  H   UNL     1       6.537  -0.627  -1.007  1.00  0.00           H  
HETATM   83  H   UNL     1       5.945  -2.299  -0.862  1.00  0.00           H  
CONECT    1    2   37   38   39                                       
CONECT    2    1    3   40   41                                       
CONECT    3    2    4   35   42                                       
CONECT    4    3    5                                                 
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8    9   43                                       
CONECT    8    7   44   45   46                                       
CONECT    9    7   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   13   47                                       
CONECT   12   11   48   49   50                                       
CONECT   13   11   14   26   51                                       
CONECT   14   13   15                                                 
CONECT   15   14   16   24   52                                       
CONECT   16   15   17                                                 
CONECT   17   16   18   19   53                                       
CONECT   18   17   54   55   56                                       
CONECT   19   17   20   57   58                                       
CONECT   20   19   21   24   59                                       
CONECT   21   20   22   23                                            
CONECT   22   21   60   61   62                                       
CONECT   23   21   63   64   65                                       
CONECT   24   15   20   25   66                                       
CONECT   25   24   67                                                 
CONECT   26   13   27   28   68                                       
CONECT   27   26   69   70   71                                       
CONECT   28   26   29   72   73                                       
CONECT   29   28   30   31   74                                       
CONECT   30   29   75   76   77                                       
CONECT   31   29   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   34   34   78                                       
CONECT   34   33   33   35   79                                       
CONECT   35    3   34   36   80                                       
CONECT   36   35   81   82   83                                       
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   15                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
