COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.030  -1.428  -0.725  1.00  0.00           N  
HETATM    2  N   UNL     1       1.883   2.788   0.005  1.00  0.00           N  
HETATM    3  C   UNL     1       1.725  -2.124  -0.802  1.00  0.00           C  
HETATM    4  C   UNL     1       0.575  -2.527  -0.156  1.00  0.00           C  
HETATM    5  C   UNL     1       0.552  -2.646   1.230  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.083  -3.404   0.669  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.437  -3.861   1.217  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.493  -5.297  -0.540  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.072  -3.198  -1.403  1.00  0.00           C  
HETATM   10  C   UNL     1       4.064  -1.644   2.110  1.00  0.00           C  
HETATM   11  C   UNL     1       3.320   2.547   0.189  1.00  0.00           C  
HETATM   12  C   UNL     1       1.293   3.397   1.205  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.110   3.852   0.899  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.333   5.128   0.417  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.684   4.684   0.328  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.174   2.991   1.095  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.934   5.076   1.295  1.00  0.00           C  
HETATM   18  C   UNL     1       1.684  -2.360   1.973  1.00  0.00           C  
HETATM   19  C   UNL     1       2.854  -1.951   1.327  1.00  0.00           C  
HETATM   20  C   UNL     1       2.871  -1.834  -0.072  1.00  0.00           C  
HETATM   21  S   UNL     1      -0.924  -3.161   2.043  1.00  0.00           S  
HETATM   22  C   UNL     1      -4.399  -4.062   0.076  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.372  -5.480  -1.591  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.161  -4.431  -2.023  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.189  -3.013  -0.356  1.00  0.00           C  
HETATM   26  O   UNL     1       4.044  -1.758   3.453  1.00  0.00           O  
HETATM   27  O   UNL     1       5.079  -1.289   1.545  1.00  0.00           O  
HETATM   28  S   UNL     1       3.930  -0.472  -2.073  1.00  0.00           S  
HETATM   29  O   UNL     1       5.262  -0.111  -2.409  1.00  0.00           O  
HETATM   30  O   UNL     1       3.055  -1.138  -2.973  1.00  0.00           O  
HETATM   31  N   UNL     1       3.165   0.928  -1.626  1.00  0.00           N  
HETATM   32  C   UNL     1       3.931   2.084  -1.137  1.00  0.00           C  
HETATM   33  C   UNL     1       1.178   1.551  -0.358  1.00  0.00           C  
HETATM   34  C   UNL     1       1.701   1.047  -1.707  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.620   5.544   0.132  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.462   3.409   0.814  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.088   5.139   0.022  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.055   6.577  -0.499  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.700   4.225  -1.043  1.00  0.00           C  
HETATM   40  H   UNL     1       4.898  -1.701  -0.387  1.00  0.00           H  
HETATM   41  H   UNL     1       1.737  -2.039  -1.879  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.312  -2.752  -0.730  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.691  -4.163  -0.008  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.208  -2.466   0.129  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.312  -4.799   1.758  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.829  -3.102   1.894  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.876  -6.116  -0.202  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.689  -2.378  -1.740  1.00  0.00           H  
HETATM   49  H   UNL     1       3.805   3.469   0.511  1.00  0.00           H  
HETATM   50  H   UNL     1       3.467   1.777   0.946  1.00  0.00           H  
HETATM   51  H   UNL     1       1.270   2.663   2.011  1.00  0.00           H  
HETATM   52  H   UNL     1       1.895   4.253   1.511  1.00  0.00           H  
HETATM   53  H   UNL     1       0.498   5.801   0.264  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.000   1.993   1.467  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.949   5.405   1.073  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.957   4.051   1.666  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.498   5.727   2.053  1.00  0.00           H  
HETATM   58  H   UNL     1       1.664  -2.452   3.049  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.442  -6.443  -2.074  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.852  -4.575  -2.841  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.120  -2.050   0.128  1.00  0.00           H  
HETATM   62  H   UNL     1       4.862  -1.546   3.923  1.00  0.00           H  
HETATM   63  H   UNL     1       3.879   2.892  -1.867  1.00  0.00           H  
HETATM   64  H   UNL     1       4.971   1.795  -0.981  1.00  0.00           H  
HETATM   65  H   UNL     1       1.354   0.794   0.406  1.00  0.00           H  
HETATM   66  H   UNL     1       0.109   1.751  -0.434  1.00  0.00           H  
HETATM   67  H   UNL     1       1.435   1.756  -2.491  1.00  0.00           H  
HETATM   68  H   UNL     1       1.266   0.072  -1.928  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.794   6.540  -0.248  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.293   2.737   0.967  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.619   7.228   0.259  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.453   6.622  -1.406  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.070   6.907  -0.720  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.715   4.555  -1.264  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.097   4.270  -1.950  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.723   3.201  -0.672  1.00  0.00           H  
CONECT    1   28   20   40                                            
CONECT    2   33   12   11                                            
CONECT    3   20   20    4   41                                       
CONECT    4    3    5    5   42                                       
CONECT    5    4    4   18   21                                       
CONECT    6    7   21   43   44                                       
CONECT    7   22    6   45   46                                       
CONECT    8   22   22   23   47                                       
CONECT    9   25   25   24   48                                       
CONECT   10   27   27   19   26                                       
CONECT   11    2   32   49   50                                       
CONECT   12   13    2   51   52                                       
CONECT   13   14   14   16   12                                       
CONECT   14   35   13   13   53                                       
CONECT   15   37   35   35   36                                       
CONECT   16   36   36   13   54                                       
CONECT   17   37   55   56   57                                       
CONECT   18   19   19    5   58                                       
CONECT   19   20   10   18   18                                       
CONECT   20    1    3    3   19                                       
CONECT   21    5    6                                                 
CONECT   22   25    7    8    8                                       
CONECT   23   24   24    8   59                                       
CONECT   24    9   23   23   60                                       
CONECT   25    9    9   22   61                                       
CONECT   26   10   62                                                 
CONECT   27   10   10                                                 
CONECT   28   30   30   29   29                                       
CONECT   28   31    1                                                 
CONECT   29   28   28                                                 
CONECT   30   28   28                                                 
CONECT   31   34   28   32                                            
CONECT   32   31   11   63   64                                       
CONECT   33   34    2   65   66                                       
CONECT   34   31   33   67   68                                       
CONECT   35   15   15   14   69                                       
CONECT   36   15   16   16   70                                       
CONECT   37   17   39   38   15                                       
CONECT   38   37   71   72   73                                       
CONECT   39   37   74   75   76                                       
CONECT   40    1                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   14                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   32                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   33                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   38                                                      
CONECT   72   38                                                      
CONECT   73   38                                                      
CONECT   74   39                                                      
CONECT   75   39                                                      
CONECT   76   39                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
