COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.750  -1.032  -1.328  1.00  0.00           N  
HETATM    2  N   UNL     1       7.590   0.896   1.591  1.00  0.00           N  
HETATM    3  C   UNL     1       3.649  -0.688  -0.331  1.00  0.00           C  
HETATM    4  C   UNL     1       5.557   0.084   0.555  1.00  0.00           C  
HETATM    5  C   UNL     1       6.920   0.655   0.471  1.00  0.00           C  
HETATM    6  C   UNL     1       8.816   1.409   1.554  1.00  0.00           C  
HETATM    7  C   UNL     1       9.396   1.693   0.319  1.00  0.00           C  
HETATM    8  C   UNL     1       4.966  -0.202   1.730  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.819  -1.248  -0.440  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.404   0.507  -1.229  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.145   1.324   0.198  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.816  -1.823  -1.551  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.826  -0.654   0.324  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.626   0.733   0.943  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.645  -0.359   1.007  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.970  -2.628  -0.313  1.00  0.00           C  
HETATM   17  C   UNL     1       1.342  -2.936  -0.855  1.00  0.00           C  
HETATM   18  C   UNL     1       3.055   0.743  -4.663  1.00  0.00           C  
HETATM   19  C   UNL     1       2.679   0.549  -3.193  1.00  0.00           C  
HETATM   20  C   UNL     1       3.109  -0.846  -2.736  1.00  0.00           C  
HETATM   21  N   UNL     1       4.828  -0.185  -0.529  1.00  0.00           N  
HETATM   22  N   UNL     1       9.509   1.658   2.728  1.00  0.00           N  
HETATM   23  C   UNL     1       8.663   1.427  -0.834  1.00  0.00           C  
HETATM   24  N   UNL     1       9.200   1.693  -2.084  1.00  0.00           N  
HETATM   25  N   UNL     1       7.441   0.913  -0.722  1.00  0.00           N  
HETATM   26  S   UNL     1       3.364  -0.858   1.398  1.00  0.00           S  
HETATM   27  C   UNL     1       1.501  -1.562  -0.990  1.00  0.00           C  
HETATM   28  C   UNL     1       0.421  -0.716  -0.783  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.978  -0.349  -0.216  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.483   1.341  -1.016  1.00  0.00           C  
HETATM   31  S   UNL     1      -5.522   2.390   0.463  1.00  0.00           S  
HETATM   32  O   UNL     1      -5.629   2.566   1.869  1.00  0.00           O  
HETATM   33  O   UNL     1      -5.372   3.472  -0.446  1.00  0.00           O  
HETATM   34  N   UNL     1      -6.878   1.567  -0.010  1.00  0.00           N  
HETATM   35  C   UNL     1      -7.366   1.648  -1.395  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.577   0.225  -1.922  1.00  0.00           C  
HETATM   37  N   UNL     1      -8.450  -0.512  -0.998  1.00  0.00           N  
HETATM   38  C   UNL     1      -3.730   0.471   1.205  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.194  -1.287   2.105  1.00  0.00           C  
HETATM   40  F   UNL     1      -2.924  -1.022   3.269  1.00  0.00           F  
HETATM   41  F   UNL     1      -2.407  -2.612   1.712  1.00  0.00           F  
HETATM   42  F   UNL     1      -0.832  -1.087   2.354  1.00  0.00           F  
HETATM   43  C   UNL     1       0.110  -3.463  -0.521  1.00  0.00           C  
HETATM   44  C   UNL     1       2.516  -3.854  -1.082  1.00  0.00           C  
HETATM   45  H   UNL     1      10.390   2.110   0.259  1.00  0.00           H  
HETATM   46  H   UNL     1       5.399  -0.055   2.708  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.888   0.522  -2.178  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.523  -2.315  -0.882  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.276  -1.689  -2.530  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.922  -2.438  -1.651  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.861  -1.149   0.220  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.472  -1.250   0.969  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.596   1.188   1.144  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.062   0.642   1.871  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.932  -3.043  -0.051  1.00  0.00           H  
HETATM   56  H   UNL     1       4.134   0.640  -4.779  1.00  0.00           H  
HETATM   57  H   UNL     1       2.551  -0.009  -5.269  1.00  0.00           H  
HETATM   58  H   UNL     1       2.748   1.738  -4.988  1.00  0.00           H  
HETATM   59  H   UNL     1       3.184   1.302  -2.586  1.00  0.00           H  
HETATM   60  H   UNL     1       1.600   0.653  -3.077  1.00  0.00           H  
HETATM   61  H   UNL     1       4.188  -0.950  -2.852  1.00  0.00           H  
HETATM   62  H   UNL     1       2.605  -1.598  -3.342  1.00  0.00           H  
HETATM   63  H   UNL     1       9.100   1.459   3.585  1.00  0.00           H  
HETATM   64  H   UNL     1      10.404   2.033   2.694  1.00  0.00           H  
HETATM   65  H   UNL     1      10.092   2.067  -2.159  1.00  0.00           H  
HETATM   66  H   UNL     1       8.684   1.505  -2.884  1.00  0.00           H  
HETATM   67  H   UNL     1       0.542   0.352  -0.887  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.811   2.009  -1.799  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.311   2.191  -1.419  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.630   2.162  -2.013  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.042   0.267  -2.907  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.615  -0.282  -1.996  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.247   0.465   2.153  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.009  -4.532  -0.418  1.00  0.00           H  
HETATM   75  H   UNL     1       2.556  -4.140  -2.133  1.00  0.00           H  
HETATM   76  H   UNL     1       3.437  -3.339  -0.810  1.00  0.00           H  
HETATM   77  H   UNL     1       2.403  -4.747  -0.466  1.00  0.00           H  
CONECT    1   20    3   27                                            
CONECT    2    6    6    5                                            
CONECT    3   21   21    1   26                                       
CONECT    4    5   21    8    8                                       
CONECT    5   25   25    2    4                                       
CONECT    6    7    2    2   22                                       
CONECT    7   23   23    6   45                                       
CONECT    8    4    4   26   46                                       
CONECT    9   16   16   28   29                                       
CONECT   10   29   29   30   47                                       
CONECT   11   30   30   38   31                                       
CONECT   12   37   48   49   50                                       
CONECT   13   37   14   51   52                                       
CONECT   14   13   34   53   54                                       
CONECT   15   29   39   38   38                                       
CONECT   16   43    9    9   55                                       
CONECT   17   44   43   43   27                                       
CONECT   18   19   56   57   58                                       
CONECT   19   20   18   59   60                                       
CONECT   20    1   19   61   62                                       
CONECT   21    4    3    3                                            
CONECT   22    6   63   64                                            
CONECT   23   24    7    7   25                                       
CONECT   24   23   65   66                                            
CONECT   25   23    5    5                                            
CONECT   26    3    8                                                 
CONECT   27   17    1   28   28                                       
CONECT   28   27   27    9   67                                       
CONECT   29    9   10   10   15                                       
CONECT   30   10   11   11   68                                       
CONECT   31   11   34   32   32                                       
CONECT   31   33   33                                                 
CONECT   32   31   31                                                 
CONECT   33   31   31                                                 
CONECT   34   14   35   31                                            
CONECT   35   36   34   69   70                                       
CONECT   36   37   35   71   72                                       
CONECT   37   12   13   36                                            
CONECT   38   15   15   11   73                                       
CONECT   39   42   41   15   40                                       
CONECT   40   39                                                      
CONECT   41   39                                                      
CONECT   42   39                                                      
CONECT   43   17   17   16   74                                       
CONECT   44   17   75   76   77                                       
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47   10                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   16                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   28                                                      
CONECT   68   30                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
CONECT   72   36                                                      
CONECT   73   38                                                      
CONECT   74   43                                                      
CONECT   75   44                                                      
CONECT   76   44                                                      
CONECT   77   44                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
