COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.296  -0.109  -0.116  1.00  0.00           C  
HETATM    2  C   UNL     1     -11.462  -1.332  -0.139  1.00  0.00           C  
HETATM    3  C   UNL     1     -12.344  -1.336  -1.392  1.00  0.00           C  
HETATM    4  C   UNL     1     -13.271  -2.555  -1.332  1.00  0.00           C  
HETATM    5  C   UNL     1     -14.052  -2.519  -0.044  1.00  0.00           C  
HETATM    6  C   UNL     1     -12.339  -1.363   1.085  1.00  0.00           C  
HETATM    7  C   UNL     1     -11.134   1.134  -0.110  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.002   2.083  -0.094  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.897   3.462  -0.077  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.644   4.062  -0.065  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.499   3.296  -0.069  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.583   1.901  -0.084  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.115   1.781  -0.075  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.019   0.714  -0.082  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.647   1.393  -0.069  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.296   0.927  -0.063  1.00  0.00           C  
HETATM   17  C   UNL     1       0.713  -0.224  -0.072  1.00  0.00           C  
HETATM   18  C   UNL     1       2.134   0.344  -0.059  1.00  0.00           C  
HETATM   19  C   UNL     1       3.143  -0.806  -0.068  1.00  0.00           C  
HETATM   20  C   UNL     1       5.494  -1.272  -0.062  1.00  0.00           C  
HETATM   21  C   UNL     1       6.865  -0.594  -0.049  1.00  0.00           C  
HETATM   22  C   UNL     1       7.962  -1.661  -0.056  1.00  0.00           C  
HETATM   23  C   UNL     1      10.396  -1.759  -0.046  1.00  0.00           C  
HETATM   24  C   UNL     1      11.722  -1.103  -0.033  1.00  0.00           C  
HETATM   25  C   UNL     1      11.815   0.289  -0.012  1.00  0.00           C  
HETATM   26  C   UNL     1      13.054   0.895   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      14.204   0.124  -0.009  1.00  0.00           C  
HETATM   28  C   UNL     1      14.118  -1.257  -0.030  1.00  0.00           C  
HETATM   29  C   UNL     1      12.885  -1.874  -0.037  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.834   1.289  -0.098  1.00  0.00           C  
HETATM   31  N   UNL     1     -10.642  -0.118  -0.122  1.00  0.00           N  
HETATM   32  N   UNL     1     -13.549  -1.944   1.059  1.00  0.00           N  
HETATM   33  N   UNL     1      -6.428   1.132  -0.088  1.00  0.00           N  
HETATM   34  N   UNL     1       9.275  -1.011  -0.043  1.00  0.00           N  
HETATM   35  N   UNL     1      16.219   1.099   1.592  1.00  0.00           N  
HETATM   36  O   UNL     1      -8.581  -1.092  -0.128  1.00  0.00           O  
HETATM   37  O   UNL     1     -11.946  -0.853   2.112  1.00  0.00           O  
HETATM   38  O   UNL     1     -15.156  -3.018  -0.004  1.00  0.00           O  
HETATM   39  O   UNL     1      -1.623   0.396  -0.075  1.00  0.00           O  
HETATM   40  O   UNL     1       4.470  -0.275  -0.056  1.00  0.00           O  
HETATM   41  O   UNL     1      16.698  -0.029  -0.551  1.00  0.00           O  
HETATM   42  O   UNL     1      15.590   2.211  -0.520  1.00  0.00           O  
HETATM   43  O   UNL     1      10.318  -2.972  -0.060  1.00  0.00           O  
HETATM   44  O   UNL     1     -12.311   1.433  -0.111  1.00  0.00           O  
HETATM   45  S   UNL     1      15.783   0.905   0.006  1.00  0.00           S  
HETATM   46  H   UNL     1     -10.815  -2.209  -0.146  1.00  0.00           H  
HETATM   47  H   UNL     1     -12.940  -0.424  -1.424  1.00  0.00           H  
HETATM   48  H   UNL     1     -11.716  -1.394  -2.281  1.00  0.00           H  
HETATM   49  H   UNL     1     -13.960  -2.530  -2.176  1.00  0.00           H  
HETATM   50  H   UNL     1     -12.677  -3.467  -1.374  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.788   4.072  -0.075  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.566   5.139  -0.053  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.531   3.775  -0.059  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.021   2.393   0.822  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.014   2.413  -0.958  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.120   0.083   0.801  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.113   0.103  -0.979  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.546   2.024  -0.951  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.553   2.004   0.829  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.153   1.529   0.834  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.146   1.548  -0.946  1.00  0.00           H  
HETATM   62  H   UNL     1       0.562  -0.845   0.811  1.00  0.00           H  
HETATM   63  H   UNL     1       0.570  -0.826  -0.969  1.00  0.00           H  
HETATM   64  H   UNL     1       2.284   0.966  -0.942  1.00  0.00           H  
HETATM   65  H   UNL     1       2.276   0.946   0.838  1.00  0.00           H  
HETATM   66  H   UNL     1       2.992  -1.428   0.815  1.00  0.00           H  
HETATM   67  H   UNL     1       3.000  -1.408  -0.965  1.00  0.00           H  
HETATM   68  H   UNL     1       5.400  -1.884  -0.960  1.00  0.00           H  
HETATM   69  H   UNL     1       5.392  -1.903   0.820  1.00  0.00           H  
HETATM   70  H   UNL     1       6.967   0.038  -0.932  1.00  0.00           H  
HETATM   71  H   UNL     1       6.959   0.018   0.848  1.00  0.00           H  
HETATM   72  H   UNL     1       7.860  -2.292   0.827  1.00  0.00           H  
HETATM   73  H   UNL     1       7.868  -2.272  -0.953  1.00  0.00           H  
HETATM   74  H   UNL     1      10.918   0.891  -0.005  1.00  0.00           H  
HETATM   75  H   UNL     1      13.128   1.972   0.016  1.00  0.00           H  
HETATM   76  H   UNL     1      15.019  -1.852  -0.038  1.00  0.00           H  
HETATM   77  H   UNL     1      12.820  -2.952  -0.049  1.00  0.00           H  
HETATM   78  H   UNL     1     -14.080  -1.949   1.870  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.491   0.164  -0.099  1.00  0.00           H  
HETATM   80  H   UNL     1       9.337  -0.043  -0.032  1.00  0.00           H  
HETATM   81  H   UNL     1      17.157   1.090   1.841  1.00  0.00           H  
HETATM   82  H   UNL     1      15.538   1.221   2.271  1.00  0.00           H  
CONECT    1   36   36   31   30                                       
CONECT    2    6    3   31   46                                       
CONECT    3    4    2   47   48                                       
CONECT    4    5    3   49   50                                       
CONECT    5   38   38   32    4                                       
CONECT    6   32   37   37    2                                       
CONECT    7   31   44   44    8                                       
CONECT    8   30    7    9    9                                       
CONECT    9    8    8   10   51                                       
CONECT   10   11   11    9   52                                       
CONECT   11   12   10   10   53                                       
CONECT   12   33   30   30   11                                       
CONECT   13   33   14   54   55                                       
CONECT   14   13   15   56   57                                       
CONECT   15   14   39   58   59                                       
CONECT   16   17   39   60   61                                       
CONECT   17   18   16   62   63                                       
CONECT   18   19   17   64   65                                       
CONECT   19   40   18   66   67                                       
CONECT   20   21   40   68   69                                       
CONECT   21   22   20   70   71                                       
CONECT   22   34   21   72   73                                       
CONECT   23   34   43   43   24                                       
CONECT   24   23   29   29   25                                       
CONECT   25   24   26   26   74                                       
CONECT   26   25   25   27   75                                       
CONECT   27   28   28   26   45                                       
CONECT   28   29   27   27   76                                       
CONECT   29   24   24   28   77                                       
CONECT   30    1   12   12    8                                       
CONECT   31    2    1    7                                            
CONECT   32    5    6   78                                            
CONECT   33   13   12   79                                            
CONECT   34   22   23   80                                            
CONECT   35   45   81   82                                            
CONECT   36    1    1                                                 
CONECT   37    6    6                                                 
CONECT   38    5    5                                                 
CONECT   39   15   16                                                 
CONECT   40   20   19                                                 
CONECT   41   45   45                                                 
CONECT   42   45   45                                                 
CONECT   43   23   23                                                 
CONECT   44    7    7                                                 
CONECT   45   27   35   41   41                                       
CONECT   45   42   42                                                 
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   22                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   28                                                      
CONECT   77   29                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   35                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
