COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -6.045  -3.583   1.389  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.861  -3.829   2.060  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.626  -3.002   0.182  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.652  -3.538   1.456  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.308  -2.679  -0.473  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.825  -1.308   0.003  1.00  0.00           C  
HETATM    7  C   UNL     1       0.860  -2.203   0.235  1.00  0.00           C  
HETATM    8  C   UNL     1       6.821   3.247   0.994  1.00  0.00           C  
HETATM    9  C   UNL     1       2.332  -1.981  -0.115  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.019  -3.047   0.116  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.810  -2.751  -0.486  1.00  0.00           C  
HETATM   12  C   UNL     1       3.796  -0.035  -0.197  1.00  0.00           C  
HETATM   13  C   UNL     1       4.237   1.311   0.317  1.00  0.00           C  
HETATM   14  C   UNL     1       5.422   1.811  -0.512  1.00  0.00           C  
HETATM   15  C   UNL     1       5.863   3.157   0.002  1.00  0.00           C  
HETATM   16  C   UNL     1       5.312   4.321  -0.513  1.00  0.00           C  
HETATM   17  C   UNL     1       5.748   5.537  -0.009  1.00  0.00           C  
HETATM   18  C   UNL     1       6.710   5.548   0.983  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.769  -0.242  -0.492  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.799   1.086  -0.272  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.973   1.220   0.701  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.917   2.285   0.206  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.959   1.958  -0.640  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.661   4.150  -0.729  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.646   4.551   0.118  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.753   3.605   0.598  1.00  0.00           C  
HETATM   27  C   UNL     1       3.181  -3.078   0.531  1.00  0.00           C  
HETATM   28  C   UNL     1       4.614  -2.931   0.087  1.00  0.00           C  
HETATM   29  C   UNL     1       5.487  -2.146   0.816  1.00  0.00           C  
HETATM   30  C   UNL     1       6.801  -2.011   0.409  1.00  0.00           C  
HETATM   31  C   UNL     1       7.242  -2.661  -0.729  1.00  0.00           C  
HETATM   32  C   UNL     1       6.369  -3.446  -1.459  1.00  0.00           C  
HETATM   33  C   UNL     1       5.056  -3.586  -1.048  1.00  0.00           C  
HETATM   34  N   UNL     1       7.208   4.421   1.454  1.00  0.00           N  
HETATM   35  N   UNL     1       2.761  -0.673   0.385  1.00  0.00           N  
HETATM   36  N   UNL     1      -3.882   0.051   0.209  1.00  0.00           N  
HETATM   37  N   UNL     1      -8.789   2.885  -1.077  1.00  0.00           N  
HETATM   38  O   UNL     1       4.372  -0.544  -1.135  1.00  0.00           O  
HETATM   39  O   UNL     1      -2.526   0.352  -1.521  1.00  0.00           O  
HETATM   40  S   UNL     1      -0.162  -0.993  -0.650  1.00  0.00           S  
HETATM   41  H   UNL     1      -6.989  -3.815   1.859  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.881  -4.247   3.055  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.727  -3.729   1.980  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.573  -3.437  -0.204  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.435  -2.664  -1.555  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.797  -1.291   1.093  1.00  0.00           H  
HETATM   47  H   UNL     1       0.565  -3.211  -0.058  1.00  0.00           H  
HETATM   48  H   UNL     1       0.719  -2.081   1.309  1.00  0.00           H  
HETATM   49  H   UNL     1       7.254   2.346   1.401  1.00  0.00           H  
HETATM   50  H   UNL     1       2.457  -2.015  -1.198  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.944  -2.860  -0.410  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.791  -2.332  -1.481  1.00  0.00           H  
HETATM   53  H   UNL     1       3.412   2.019   0.237  1.00  0.00           H  
HETATM   54  H   UNL     1       6.246   1.103  -0.432  1.00  0.00           H  
HETATM   55  H   UNL     1       4.562   4.281  -1.289  1.00  0.00           H  
HETATM   56  H   UNL     1       5.345   6.463  -0.390  1.00  0.00           H  
HETATM   57  H   UNL     1       7.055   6.491   1.381  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.174   0.810  -1.257  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.501   0.269   0.766  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.598   1.496   1.687  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.096   0.932  -0.947  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.361   4.881  -1.107  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.547   5.589   0.400  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.950   3.889   1.262  1.00  0.00           H  
HETATM   65  H   UNL     1       3.126  -2.988   1.616  1.00  0.00           H  
HETATM   66  H   UNL     1       2.805  -4.055   0.228  1.00  0.00           H  
HETATM   67  H   UNL     1       5.143  -1.638   1.705  1.00  0.00           H  
HETATM   68  H   UNL     1       7.483  -1.398   0.979  1.00  0.00           H  
HETATM   69  H   UNL     1       8.268  -2.555  -1.048  1.00  0.00           H  
HETATM   70  H   UNL     1       6.714  -3.957  -2.345  1.00  0.00           H  
HETATM   71  H   UNL     1       4.374  -4.199  -1.618  1.00  0.00           H  
HETATM   72  H   UNL     1       2.300  -0.265   1.135  1.00  0.00           H  
HETATM   73  H   UNL     1       4.537   1.220   1.361  1.00  0.00           H  
HETATM   74  H   UNL     1       5.121   1.902  -1.556  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.271   2.038  -0.337  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.075  -0.424   1.033  1.00  0.00           H  
CONECT    1    2   10   10   41                                       
CONECT    2    4    4    1   42                                       
CONECT    3    4    5   11   11                                       
CONECT    4    2    2    3   43                                       
CONECT    5    3    6   44   45                                       
CONECT    6    5   40   19   46                                       
CONECT    7    9   40   47   48                                       
CONECT    8   34   34   15   49                                       
CONECT    9   35   27    7   50                                       
CONECT   10    1    1   11   51                                       
CONECT   11    3    3   10   52                                       
CONECT   12   13   35   38   38                                       
CONECT   13   14   12   53   73                                       
CONECT   14   15   13   54   74                                       
CONECT   15   16   16    8   14                                       
CONECT   16   17   15   15   55                                       
CONECT   17   18   18   16   56                                       
CONECT   18   17   17   34   57                                       
CONECT   19    6   36   39   39                                       
CONECT   20   36   21   58   75                                       
CONECT   21   22   20   59   60                                       
CONECT   22   26   26   23   21                                       
CONECT   23   37   37   22   61                                       
CONECT   24   25   25   37   62                                       
CONECT   25   24   24   26   63                                       
CONECT   26   25   22   22   64                                       
CONECT   27   28    9   65   66                                       
CONECT   28   33   27   29   29                                       
CONECT   29   28   28   30   67                                       
CONECT   30   31   31   29   68                                       
CONECT   31   32   30   30   69                                       
CONECT   32   33   33   31   70                                       
CONECT   33   32   32   28   71                                       
CONECT   34   18    8    8                                            
CONECT   35   12    9   72                                            
CONECT   36   19   20   76                                            
CONECT   37   24   23   23                                            
CONECT   38   12   12                                                 
CONECT   39   19   19                                                 
CONECT   40    6    7                                                 
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   35                                                      
CONECT   73   13                                                      
CONECT   74   14                                                      
CONECT   75   20                                                      
CONECT   76   36                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
