COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -4.668   2.013  -0.333  1.00  0.00           S  
HETATM    2  O   UNL     1      -5.139   2.111  -1.669  1.00  0.00           O  
HETATM    3  O   UNL     1      -3.920   3.039   0.305  1.00  0.00           O  
HETATM    4  N   UNL     1      -6.000   1.748   0.615  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.847   1.568   2.060  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.678   0.557  -0.259  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.876  -0.458  -1.178  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.104  -1.600  -1.125  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.122  -1.730  -0.143  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.927  -0.704   0.780  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.702   0.436   0.714  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.290  -2.954  -0.081  1.00  0.00           C  
HETATM   13  C   UNL     1       0.120  -2.857  -0.003  1.00  0.00           C  
HETATM   14  N   UNL     1       0.726  -1.668   0.015  1.00  0.00           N  
HETATM   15  C   UNL     1       2.046  -1.607   0.089  1.00  0.00           C  
HETATM   16  C   UNL     1       2.812  -2.786   0.147  1.00  0.00           C  
HETATM   17  N   UNL     1       2.229  -3.961   0.129  1.00  0.00           N  
HETATM   18  C   UNL     1       0.894  -4.043   0.056  1.00  0.00           C  
HETATM   19  C   UNL     1       0.249  -5.290   0.036  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.110  -5.357  -0.039  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.884  -4.204  -0.093  1.00  0.00           C  
HETATM   22  C   UNL     1       2.721  -0.289   0.109  1.00  0.00           C  
HETATM   23  C   UNL     1       4.114  -0.217   0.081  1.00  0.00           C  
HETATM   24  C   UNL     1       4.743   1.015   0.101  1.00  0.00           C  
HETATM   25  C   UNL     1       3.987   2.182   0.148  1.00  0.00           C  
HETATM   26  C   UNL     1       2.598   2.113   0.176  1.00  0.00           C  
HETATM   27  C   UNL     1       1.965   0.883   0.151  1.00  0.00           C  
HETATM   28  O   UNL     1       1.862   3.255   0.223  1.00  0.00           O  
HETATM   29  C   UNL     1       0.440   3.110   0.251  1.00  0.00           C  
HETATM   30  O   UNL     1       4.608   3.393   0.167  1.00  0.00           O  
HETATM   31  C   UNL     1       4.876   4.004  -1.097  1.00  0.00           C  
HETATM   32  O   UNL     1       6.101   1.085   0.074  1.00  0.00           O  
HETATM   33  C   UNL     1       6.814  -0.153   0.026  1.00  0.00           C  
HETATM   34  H   UNL     1      -6.882   1.712   0.212  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.826   1.406   2.512  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.211   0.704   2.254  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.391   2.459   2.491  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.637  -0.356  -1.938  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.260  -2.392  -1.843  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.169  -0.799   1.543  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.549   1.234   1.426  1.00  0.00           H  
HETATM   42  H   UNL     1       3.888  -2.723   0.206  1.00  0.00           H  
HETATM   43  H   UNL     1       0.832  -6.199   0.080  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.594  -6.323  -0.054  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.960  -4.284  -0.147  1.00  0.00           H  
HETATM   46  H   UNL     1       4.701  -1.123   0.045  1.00  0.00           H  
HETATM   47  H   UNL     1       0.887   0.829   0.168  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.025   4.095   0.288  1.00  0.00           H  
HETATM   49  H   UNL     1       0.111   2.586  -0.647  1.00  0.00           H  
HETATM   50  H   UNL     1       0.150   2.538   1.132  1.00  0.00           H  
HETATM   51  H   UNL     1       3.939   4.163  -1.630  1.00  0.00           H  
HETATM   52  H   UNL     1       5.372   4.962  -0.939  1.00  0.00           H  
HETATM   53  H   UNL     1       5.522   3.353  -1.685  1.00  0.00           H  
HETATM   54  H   UNL     1       6.569  -0.747   0.906  1.00  0.00           H  
HETATM   55  H   UNL     1       6.531  -0.700  -0.873  1.00  0.00           H  
HETATM   56  H   UNL     1       7.885   0.046   0.008  1.00  0.00           H  
CONECT    1    2    2    3    3                                       
CONECT    1    4    6                                                 
CONECT    2    1    1                                                 
CONECT    3    1    1                                                 
CONECT    4    1    5   34                                            
CONECT    5    4   35   36   37                                       
CONECT    6    1    7    7   11                                       
CONECT    7    6    6    8   38                                       
CONECT    8    7    9    9   39                                       
CONECT    9    8    8   10   12                                       
CONECT   10    9   11   11   40                                       
CONECT   11    6   10   10   41                                       
CONECT   12    9   13   13   21                                       
CONECT   13   12   12   14   18                                       
CONECT   14   13   15   15                                            
CONECT   15   14   14   16   22                                       
CONECT   16   15   17   17   42                                       
CONECT   17   16   16   18                                            
CONECT   18   13   17   19   19                                       
CONECT   19   18   18   20   43                                       
CONECT   20   19   21   21   44                                       
CONECT   21   12   20   20   45                                       
CONECT   22   15   23   23   27                                       
CONECT   23   22   22   24   46                                       
CONECT   24   23   25   25   32                                       
CONECT   25   24   24   26   30                                       
CONECT   26   25   27   27   28                                       
CONECT   27   22   26   26   47                                       
CONECT   28   26   29                                                 
CONECT   29   28   48   49   50                                       
CONECT   30   25   31                                                 
CONECT   31   30   51   52   53                                       
CONECT   32   24   33                                                 
CONECT   33   32   54   55   56                                       
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   16                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
CONECT   47   27                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
CONECT   51   31                                                      
CONECT   52   31                                                      
CONECT   53   31                                                      
CONECT   54   33                                                      
CONECT   55   33                                                      
CONECT   56   33                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
