COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.244   2.265   0.156  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.082   1.636  -0.209  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.309  -0.405   0.274  1.00  0.00           C  
HETATM    4  C   UNL     1       2.958  -1.652   1.643  1.00  0.00           C  
HETATM    5  C   UNL     1       1.560   0.291   1.510  1.00  0.00           C  
HETATM    6  C   UNL     1       0.751   3.976  -0.726  1.00  0.00           C  
HETATM    7  C   UNL     1       1.795  -0.980   1.990  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.008   2.677   1.890  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.086   1.548   1.922  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.142  -1.588  -0.147  1.00  0.00           C  
HETATM   11  C   UNL     1       7.171  -1.912  -0.642  1.00  0.00           C  
HETATM   12  C   UNL     1       5.956  -1.019  -0.380  1.00  0.00           C  
HETATM   13  C   UNL     1       8.153  -1.180  -1.559  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.081   3.918  -2.009  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.015   4.757   0.343  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.648  -2.870   0.008  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.402  -1.392  -0.681  1.00  0.00           C  
HETATM   18  C   UNL     1       2.185  -3.465   2.971  1.00  0.00           C  
HETATM   19  N   UNL     1       1.007   2.615  -0.248  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.315   2.270   0.437  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.438   1.434  -0.531  1.00  0.00           N  
HETATM   22  C   UNL     1       2.494   0.904   0.672  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.459   1.234   0.540  1.00  0.00           C  
HETATM   24  C   UNL     1       3.668   0.229   0.326  1.00  0.00           C  
HETATM   25  C   UNL     1       3.897  -1.044   0.811  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.908   1.889   2.760  1.00  0.00           N  
HETATM   27  O   UNL     1       3.155   3.067   0.092  1.00  0.00           O  
HETATM   28  O   UNL     1       5.039  -1.703   0.476  1.00  0.00           O  
HETATM   29  O   UNL     1       3.186  -2.904   2.119  1.00  0.00           O  
HETATM   30  O   UNL     1       9.287  -2.014  -1.804  1.00  0.00           O  
HETATM   31  C   UNL     1      10.271  -1.421  -2.654  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.412  -3.956  -0.378  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.166  -2.478  -1.066  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.669  -3.760  -0.918  1.00  0.00           C  
HETATM   35  S   UNL     1      -4.291   0.145  -1.124  1.00  0.00           S  
HETATM   36  O   UNL     1      -3.297  -0.824  -1.428  1.00  0.00           O  
HETATM   37  O   UNL     1      -5.106   0.704  -2.145  1.00  0.00           O  
HETATM   38  H   UNL     1      -0.324   1.321  -1.224  1.00  0.00           H  
HETATM   39  H   UNL     1       0.230   0.770   0.375  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.965   0.408   0.587  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.663  -0.691   1.103  1.00  0.00           H  
HETATM   42  H   UNL     1       0.654   0.812   1.781  1.00  0.00           H  
HETATM   43  H   UNL     1       1.699   4.474  -0.930  1.00  0.00           H  
HETATM   44  H   UNL     1       1.072  -1.453   2.638  1.00  0.00           H  
HETATM   45  H   UNL     1       0.031   2.449   2.128  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.195   3.742   2.025  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.767   2.396   1.852  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.602   0.673   2.317  1.00  0.00           H  
HETATM   49  H   UNL     1       7.661  -2.146   0.303  1.00  0.00           H  
HETATM   50  H   UNL     1       6.846  -2.836  -1.122  1.00  0.00           H  
HETATM   51  H   UNL     1       6.281  -0.096   0.100  1.00  0.00           H  
HETATM   52  H   UNL     1       5.466  -0.785  -1.324  1.00  0.00           H  
HETATM   53  H   UNL     1       7.663  -0.946  -2.504  1.00  0.00           H  
HETATM   54  H   UNL     1       8.478  -0.257  -1.079  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.271   4.930  -2.365  1.00  0.00           H  
HETATM   56  H   UNL     1       0.465   3.362  -2.771  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.029   3.420  -1.805  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.963   4.259   0.548  1.00  0.00           H  
HETATM   59  H   UNL     1       0.578   4.799   1.257  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.205   5.770  -0.012  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.666  -3.024   0.429  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.789  -0.391  -0.798  1.00  0.00           H  
HETATM   63  H   UNL     1       2.490  -4.465   3.280  1.00  0.00           H  
HETATM   64  H   UNL     1       2.063  -2.834   3.852  1.00  0.00           H  
HETATM   65  H   UNL     1       1.240  -3.524   2.432  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.639   3.137  -0.139  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.586   2.322  -0.893  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.066   0.218   0.517  1.00  0.00           H  
HETATM   69  H   UNL     1       4.394   0.701  -0.319  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.449   1.056   3.095  1.00  0.00           H  
HETATM   71  H   UNL     1      10.640  -0.503  -2.198  1.00  0.00           H  
HETATM   72  H   UNL     1      11.099  -2.116  -2.792  1.00  0.00           H  
HETATM   73  H   UNL     1       9.825  -1.192  -3.622  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.027  -4.958  -0.258  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.150  -2.325  -1.483  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.266  -4.608  -1.219  1.00  0.00           H  
CONECT    1   27   27   19   22                                       
CONECT    2   20   19   38   39                                       
CONECT    3   10   35   40   41                                       
CONECT    4   25   29    7    7                                       
CONECT    5   22   22    7   42                                       
CONECT    6   14   19   15   43                                       
CONECT    7    4    4    5   44                                       
CONECT    8   26   20   45   46                                       
CONECT    9   26   23   47   48                                       
CONECT   10   17    3   16   16                                       
CONECT   11   13   12   49   50                                       
CONECT   12   11   28   51   52                                       
CONECT   13   30   11   53   54                                       
CONECT   14    6   55   56   57                                       
CONECT   15    6   58   59   60                                       
CONECT   16   10   10   32   61                                       
CONECT   17   33   33   10   62                                       
CONECT   18   29   63   64   65                                       
CONECT   19    2    1    6                                            
CONECT   20    8   23    2   66                                       
CONECT   21   23   35   67                                            
CONECT   22   24    1    5    5                                       
CONECT   23    9   21   20   68                                       
CONECT   24   25   25   22   69                                       
CONECT   25   28   24   24    4                                       
CONECT   26    8    9   70                                            
CONECT   27    1    1                                                 
CONECT   28   12   25                                                 
CONECT   29    4   18                                                 
CONECT   30   31   13                                                 
CONECT   31   30   71   72   73                                       
CONECT   32   34   34   16   74                                       
CONECT   33   17   17   34   75                                       
CONECT   34   33   32   32   76                                       
CONECT   35    3   21   36   36                                       
CONECT   35   37   37                                                 
CONECT   36   35   35                                                 
CONECT   37   35   35                                                 
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   26                                                      
CONECT   71   31                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
