COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.531   0.881   0.034  1.00  0.00           C  
HETATM    2  C   UNL     1       1.232   0.589   0.358  1.00  0.00           C  
HETATM    3  C   UNL     1       0.766   1.788   0.164  1.00  0.00           C  
HETATM    4  C   UNL     1       2.632  -1.850  -0.123  1.00  0.00           C  
HETATM    5  C   UNL     1       2.655   0.444   0.870  1.00  0.00           C  
HETATM    6  O   UNL     1      -6.653  -0.013   1.153  1.00  0.00           O  
HETATM    7  C   UNL     1       1.265  -1.614  -0.768  1.00  0.00           C  
HETATM    8  C   UNL     1       0.445  -0.664   0.110  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.819  -1.613  -0.312  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.230  -1.370  -0.871  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.779  -0.135  -0.177  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.889   1.058  -0.617  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.697   2.277  -0.189  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.179   1.830  -0.256  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.165   0.325  -0.642  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.733  -0.310   1.342  1.00  0.00           C  
HETATM   17  C   UNL     1       0.203  -1.350   1.456  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.249  -0.423   0.091  1.00  0.00           C  
HETATM   19  C   UNL     1       3.401  -0.530  -0.047  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.621   2.055  -0.345  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.910  -0.406  -0.526  1.00  0.00           C  
HETATM   22  O   UNL     1       4.709  -0.770   0.476  1.00  0.00           O  
HETATM   23  O   UNL     1       7.031  -0.384   0.349  1.00  0.00           O  
HETATM   24  O   UNL     1       5.479   0.249  -1.506  1.00  0.00           O  
HETATM   25  O   UNL     1       5.624   1.503   0.485  1.00  0.00           O  
HETATM   26  S   UNL     1       5.789   0.118  -0.125  1.00  0.00           S  
HETATM   27  C   UNL     1      -6.828  -1.682  -0.501  1.00  0.00           C  
HETATM   28  H   UNL     1      -1.625   0.813   1.118  1.00  0.00           H  
HETATM   29  H   UNL     1       1.406   2.630   0.380  1.00  0.00           H  
HETATM   30  H   UNL     1       2.494  -2.247   0.883  1.00  0.00           H  
HETATM   31  H   UNL     1       3.196  -2.565  -0.721  1.00  0.00           H  
HETATM   32  H   UNL     1       3.151   1.414   0.856  1.00  0.00           H  
HETATM   33  H   UNL     1       2.641   0.053   1.887  1.00  0.00           H  
HETATM   34  H   UNL     1       1.400  -1.171  -1.755  1.00  0.00           H  
HETATM   35  H   UNL     1       0.739  -2.564  -0.865  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.891  -1.819   0.755  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.385  -2.478  -0.813  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.180  -1.201  -1.946  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.866  -2.230  -0.659  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.779   1.054  -1.702  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.436   2.565   0.829  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.521   3.107  -0.873  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.655   1.963   0.716  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.710   2.406  -1.014  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.272   0.203  -1.719  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.704  -0.490   1.656  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.107   0.594   1.823  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.354  -1.158   1.629  1.00  0.00           H  
HETATM   49  H   UNL     1       1.160  -1.567   1.931  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.380  -0.691   2.100  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.344  -2.279   1.297  1.00  0.00           H  
HETATM   52  H   UNL     1       3.482  -0.099  -1.045  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.596   2.161  -1.429  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.003   2.972   0.104  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.758  -0.276  -1.598  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.681  -1.428  -1.130  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.070  -2.183  -1.102  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.152  -2.345   0.301  1.00  0.00           H  
HETATM   59  H   UNL     1       6.267   2.152   0.168  1.00  0.00           H  
CONECT    1   12   21   20   28                                       
CONECT    2    8    3    3    5                                       
CONECT    3   20    2    2   29                                       
CONECT    4    7   19   30   31                                       
CONECT    5    2   19   32   33                                       
CONECT    6   18   18                                                 
CONECT    7    8    4   34   35                                       
CONECT    8   21   17    7    2                                       
CONECT    9   10   21   36   37                                       
CONECT   10   11    9   38   39                                       
CONECT   11   15   16   10   12                                       
CONECT   12   11   13    1   40                                       
CONECT   13   14   12   41   42                                       
CONECT   14   15   13   43   44                                       
CONECT   15   18   14   11   45                                       
CONECT   16   11   46   47   48                                       
CONECT   17    8   49   50   51                                       
CONECT   18   27    6    6   15                                       
CONECT   19    4    5   22   52                                       
CONECT   20    1    3   53   54                                       
CONECT   21    9    1    8   55                                       
CONECT   22   19   26                                                 
CONECT   23   26   26                                                 
CONECT   24   26   26                                                 
CONECT   25   26   59                                                 
CONECT   26   22   24   24   25                                       
CONECT   26   23   23                                                 
CONECT   27   18   56   57   58                                       
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   27                                                      
CONECT   57   27                                                      
CONECT   58   27                                                      
CONECT   59   25                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
