COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.768   0.137  -0.821  1.00  0.00           C  
HETATM    2  C   UNL     1       2.994  -1.226  -0.859  1.00  0.00           C  
HETATM    3  C   UNL     1       1.061  -1.605   0.506  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.239  -0.386  -0.430  1.00  0.00           C  
HETATM    5  C   UNL     1       0.821  -0.234   0.548  1.00  0.00           C  
HETATM    6  C   UNL     1       2.098   3.127  -2.062  1.00  0.00           C  
HETATM    7  C   UNL     1       2.333   2.792  -0.736  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.774   0.685   1.485  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.180   0.908   2.494  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.543  -0.640  -1.428  1.00  0.00           C  
HETATM   11  C   UNL     1       0.881   2.592  -2.771  1.00  0.00           C  
HETATM   12  C   UNL     1       3.714   2.924   1.353  1.00  0.00           C  
HETATM   13  C   UNL     1       3.848  -5.644   1.232  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.807  -0.835  -2.306  1.00  0.00           C  
HETATM   15  C   UNL     1       4.096   4.447  -2.081  1.00  0.00           C  
HETATM   16  C   UNL     1       2.978   3.956  -2.730  1.00  0.00           C  
HETATM   17  C   UNL     1       4.335   4.111  -0.761  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.704   0.169   0.745  1.00  0.00           C  
HETATM   19  C   UNL     1       3.456   3.287  -0.087  1.00  0.00           C  
HETATM   20  C   UNL     1       1.686   0.642  -0.118  1.00  0.00           C  
HETATM   21  C   UNL     1       2.143  -2.094  -0.198  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.591  -0.206  -0.391  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.346   0.296   1.292  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.506   1.306   2.727  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.228  -0.448  -1.889  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.011   2.049   4.478  1.00  0.00           C  
HETATM   27  C   UNL     1       3.514  -4.152   1.172  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.920   0.445   0.772  1.00  0.00           N  
HETATM   29  N   UNL     1      -1.246   1.398   3.187  1.00  0.00           N  
HETATM   30  N   UNL     1      -5.861  -0.403  -1.275  1.00  0.00           N  
HETATM   31  O   UNL     1      -3.426   1.761   3.386  1.00  0.00           O  
HETATM   32  O   UNL     1      -4.140  -1.212  -2.423  1.00  0.00           O  
HETATM   33  O   UNL     1       1.161  -4.412  -0.059  1.00  0.00           O  
HETATM   34  O   UNL     1       3.156  -4.023  -1.469  1.00  0.00           O  
HETATM   35  O   UNL     1       1.466   1.982  -0.075  1.00  0.00           O  
HETATM   36  S   UNL     1       2.442  -3.830  -0.255  1.00  0.00           S  
HETATM   37  H   UNL     1       3.438   0.810  -1.336  1.00  0.00           H  
HETATM   38  H   UNL     1       3.838  -1.616  -1.409  1.00  0.00           H  
HETATM   39  H   UNL     1       0.397  -2.286   1.018  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.682  -0.864  -1.222  1.00  0.00           H  
HETATM   41  H   UNL     1       0.813   1.007   2.908  1.00  0.00           H  
HETATM   42  H   UNL     1       1.126   1.644  -3.249  1.00  0.00           H  
HETATM   43  H   UNL     1       0.079   2.438  -2.049  1.00  0.00           H  
HETATM   44  H   UNL     1       0.557   3.307  -3.527  1.00  0.00           H  
HETATM   45  H   UNL     1       4.314   2.016   1.397  1.00  0.00           H  
HETATM   46  H   UNL     1       4.251   3.738   1.842  1.00  0.00           H  
HETATM   47  H   UNL     1       2.765   2.758   1.862  1.00  0.00           H  
HETATM   48  H   UNL     1       4.363  -5.938   0.318  1.00  0.00           H  
HETATM   49  H   UNL     1       4.492  -5.837   2.090  1.00  0.00           H  
HETATM   50  H   UNL     1       2.928  -6.219   1.332  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.746  -1.917  -2.426  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.561  -0.351  -3.251  1.00  0.00           H  
HETATM   53  H   UNL     1       4.783   5.095  -2.605  1.00  0.00           H  
HETATM   54  H   UNL     1       2.793   4.221  -3.761  1.00  0.00           H  
HETATM   55  H   UNL     1       5.209   4.495  -0.256  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.932  -0.769  -2.657  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.474  -0.932  -0.945  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.289   0.634  -1.770  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.846   3.115   4.323  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.880   1.906   5.121  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.133   1.610   4.952  1.00  0.00           H  
HETATM   62  H   UNL     1       3.000  -3.858   2.087  1.00  0.00           H  
HETATM   63  H   UNL     1       4.435  -3.577   1.072  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.817   0.694   1.046  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.182   0.053  -0.481  1.00  0.00           H  
CONECT    1    2   20   20   37                                       
CONECT    2   21   21    1   38                                       
CONECT    3   21    5    5   39                                       
CONECT    4   18   22   22   40                                       
CONECT    5    3    3   20   23                                       
CONECT    6    7   11   16   16                                       
CONECT    7   35   19   19    6                                       
CONECT    8   18   18   28   24                                       
CONECT    9   23   23   29   41                                       
CONECT   10   32   32   22   30                                       
CONECT   11    6   42   43   44                                       
CONECT   12   19   45   46   47                                       
CONECT   13   27   48   49   50                                       
CONECT   14   30   25   51   52                                       
CONECT   15   17   17   16   53                                       
CONECT   16    6    6   15   54                                       
CONECT   17   19   15   15   55                                       
CONECT   18   23    4    8    8                                       
CONECT   19   12    7    7   17                                       
CONECT   20    1    1    5   35                                       
CONECT   21   36    2    2    3                                       
CONECT   22    4    4   10   28                                       
CONECT   23    5   18    9    9                                       
CONECT   24    8   29   31   31                                       
CONECT   25   14   56   57   58                                       
CONECT   26   29   59   60   61                                       
CONECT   27   36   13   62   63                                       
CONECT   28   22    8   64                                            
CONECT   29    9   24   26                                            
CONECT   30   10   14   65                                            
CONECT   31   24   24                                                 
CONECT   32   10   10                                                 
CONECT   33   36   36                                                 
CONECT   34   36   36                                                 
CONECT   35   20    7                                                 
CONECT   36   34   34   33   33                                       
CONECT   36   27   21                                                 
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    9                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   30                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
