COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -0.743  -0.281  -5.077  1.00  0.00           S  
HETATM    2  O   UNL     1      -0.216  -0.869  -6.258  1.00  0.00           O  
HETATM    3  O   UNL     1      -1.571   0.872  -5.112  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.393  -1.536  -3.940  1.00  0.00           C  
HETATM    5  C   UNL     1       0.613   0.763  -2.952  1.00  0.00           C  
HETATM    6  C   UNL     1       1.747   1.218  -2.303  1.00  0.00           C  
HETATM    7  C   UNL     1       2.965   1.213  -2.956  1.00  0.00           C  
HETATM    8  C   UNL     1       3.051   0.753  -4.257  1.00  0.00           C  
HETATM    9  C   UNL     1       1.918   0.297  -4.905  1.00  0.00           C  
HETATM   10  C   UNL     1       0.700   0.298  -4.251  1.00  0.00           C  
HETATM   11  C   UNL     1       1.806  -1.371   0.344  1.00  0.00           C  
HETATM   12  C   UNL     1       3.237  -1.788   0.122  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.354  -0.811  -0.535  1.00  0.00           C  
HETATM   14  C   UNL     1       0.965  -1.189  -0.736  1.00  0.00           C  
HETATM   15  C   UNL     1       1.338  -1.164   1.628  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.825  -0.603   0.751  1.00  0.00           C  
HETATM   17  C   UNL     1       0.021  -0.780   1.835  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.182  -0.638  -1.598  1.00  0.00           O  
HETATM   19  S   UNL     1      -0.939   0.770  -2.120  1.00  0.00           S  
HETATM   20  O   UNL     1      -1.917   0.981  -3.130  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.757   1.583  -0.969  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.437  -0.577   3.097  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.809  -0.196   2.982  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.390   0.048   4.376  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.858   0.468   4.466  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.439  -0.941   4.888  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.421   0.644   5.399  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.106   0.137   5.161  1.00  0.00           O  
HETATM   29  N   UNL     1       0.740   0.722   6.134  1.00  0.00           N  
HETATM   30  C   UNL     1       2.080   0.417   6.151  1.00  0.00           C  
HETATM   31  N   UNL     1       2.572  -0.410   5.273  1.00  0.00           N  
HETATM   32  N   UNL     1       2.902   0.984   7.096  1.00  0.00           N  
HETATM   33  H   UNL     1      -2.087  -2.186  -4.473  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.569  -2.131  -3.545  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.914  -1.046  -3.117  1.00  0.00           H  
HETATM   36  H   UNL     1       1.680   1.578  -1.287  1.00  0.00           H  
HETATM   37  H   UNL     1       3.850   1.569  -2.449  1.00  0.00           H  
HETATM   38  H   UNL     1       4.003   0.749  -4.767  1.00  0.00           H  
HETATM   39  H   UNL     1       1.985  -0.061  -5.921  1.00  0.00           H  
HETATM   40  H   UNL     1       3.303  -2.876   0.126  1.00  0.00           H  
HETATM   41  H   UNL     1       3.582  -1.406  -0.837  1.00  0.00           H  
HETATM   42  H   UNL     1       3.861  -1.383   0.920  1.00  0.00           H  
HETATM   43  H   UNL     1       1.333  -1.351  -1.739  1.00  0.00           H  
HETATM   44  H   UNL     1       1.999  -1.303   2.471  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.851  -0.305   0.910  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.884   0.716   2.391  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.367  -0.993   2.491  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.411   0.570   3.532  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.134   1.168   5.254  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.715  -1.766   4.232  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.438  -1.167   5.954  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.415   1.729   5.304  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.739   0.368   6.404  1.00  0.00           H  
HETATM   54  H   UNL     1       0.374   1.338   6.788  1.00  0.00           H  
HETATM   55  H   UNL     1       3.518  -0.625   5.285  1.00  0.00           H  
HETATM   56  H   UNL     1       3.848   0.769   7.109  1.00  0.00           H  
HETATM   57  H   UNL     1       2.536   1.600   7.750  1.00  0.00           H  
CONECT    1    2    2    3    3                                       
CONECT    1    4   10                                                 
CONECT    2    1    1                                                 
CONECT    3    1    1                                                 
CONECT    4    1   33   34   35                                       
CONECT    5    6    6   10   19                                       
CONECT    6    5    5    7   36                                       
CONECT    7    6    8    8   37                                       
CONECT    8    7    7    9   38                                       
CONECT    9    8   10   10   39                                       
CONECT   10    1    5    9    9                                       
CONECT   11   12   14   14   15                                       
CONECT   12   11   40   41   42                                       
CONECT   13   14   16   16   18                                       
CONECT   14   11   11   13   43                                       
CONECT   15   11   17   17   44                                       
CONECT   16   13   13   17   45                                       
CONECT   17   15   15   16   22                                       
CONECT   18   13   19                                                 
CONECT   19    5   18   20   20                                       
CONECT   19   21   21                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   17   23                                                 
CONECT   23   22   24   46   47                                       
CONECT   24   23   25   26   27                                       
CONECT   25   24   26   48   49                                       
CONECT   26   24   25   50   51                                       
CONECT   27   24   28   52   53                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   54                                            
CONECT   30   29   31   31   32                                       
CONECT   31   30   30   55                                            
CONECT   32   30   56   57                                            
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   29                                                      
CONECT   55   31                                                      
CONECT   56   32                                                      
CONECT   57   32                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
