COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.564   0.301   0.364  1.00  0.00           O  
HETATM    2  S   UNL     1       5.566   1.241  -0.009  1.00  0.00           S  
HETATM    3  O   UNL     1       5.089   2.209   0.915  1.00  0.00           O  
HETATM    4  O   UNL     1       6.218   2.063  -1.112  1.00  0.00           O  
HETATM    5  C   UNL     1       4.179   0.406  -0.828  1.00  0.00           C  
HETATM    6  C   UNL     1       3.435  -0.462   0.189  1.00  0.00           C  
HETATM    7  O   UNL     1       4.329  -1.439   0.726  1.00  0.00           O  
HETATM    8  C   UNL     1       2.265  -1.167  -0.501  1.00  0.00           C  
HETATM    9  N   UNL     1       1.495  -1.927   0.493  1.00  0.00           N  
HETATM   10  C   UNL     1       0.655  -1.034   1.303  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.396  -0.374   0.407  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.208  -1.415  -0.239  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.368  -2.308  -1.049  1.00  0.00           C  
HETATM   14  C   UNL     1       0.683  -2.967  -0.153  1.00  0.00           C  
HETATM   15  H   UNL     1       3.497   1.151  -1.237  1.00  0.00           H  
HETATM   16  H   UNL     1       4.557  -0.222  -1.634  1.00  0.00           H  
HETATM   17  H   UNL     1       3.056   0.166   0.995  1.00  0.00           H  
HETATM   18  H   UNL     1       4.705  -2.035   0.063  1.00  0.00           H  
HETATM   19  H   UNL     1       1.619  -0.424  -0.970  1.00  0.00           H  
HETATM   20  H   UNL     1       2.648  -1.847  -1.262  1.00  0.00           H  
HETATM   21  H   UNL     1       0.157  -1.611   2.082  1.00  0.00           H  
HETATM   22  H   UNL     1       1.277  -0.265   1.761  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.039   0.266   1.010  1.00  0.00           H  
HETATM   24  H   UNL     1       0.101   0.225  -0.356  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.990  -3.077  -1.507  1.00  0.00           H  
HETATM   26  H   UNL     1       0.130  -1.731  -1.829  1.00  0.00           H  
HETATM   27  H   UNL     1       1.326  -3.608  -0.757  1.00  0.00           H  
HETATM   28  H   UNL     1       0.186  -3.566   0.610  1.00  0.00           H  
HETATM   29  C   UNL     1      -2.278  -0.820  -1.051  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.389  -0.307  -0.132  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.487   0.346  -0.975  1.00  0.00           C  
HETATM   32  S   UNL     1      -5.731   1.084   0.120  1.00  0.00           S  
HETATM   33  O   UNL     1      -3.941  -1.401   0.604  1.00  0.00           O  
HETATM   34  O   UNL     1      -5.187   2.198   0.813  1.00  0.00           O  
HETATM   35  O   UNL     1      -6.755   1.694  -0.827  1.00  0.00           O  
HETATM   36  O   UNL     1      -6.451   0.072   0.810  1.00  0.00           O  
HETATM   37  H   UNL     1       6.986   2.572  -0.820  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.875   0.010  -1.631  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.684  -1.573  -1.726  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.978   0.426   0.561  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.049   1.122  -1.603  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.958  -0.408  -1.605  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.326  -2.093   0.050  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.493   2.131  -0.379  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    3    5    1                                       
CONECT    2    1    4                                                 
CONECT    3    2    2                                                 
CONECT    4    2   37                                                 
CONECT    5    6    2   15   16                                       
CONECT    6    8    7    5   17                                       
CONECT    7    6   18                                                 
CONECT    8    9    6   19   20                                       
CONECT    9   10   14    8                                            
CONECT   10   11    9   21   22                                       
CONECT   11   12   10   23   24                                       
CONECT   12   11   13   29                                            
CONECT   13   12   14   25   26                                       
CONECT   14   13    9   27   28                                       
CONECT   15    5                                                      
CONECT   16    5                                                      
CONECT   17    6                                                      
CONECT   18    7                                                      
CONECT   19    8                                                      
CONECT   20    8                                                      
CONECT   21   10                                                      
CONECT   22   10                                                      
CONECT   23   11                                                      
CONECT   24   11                                                      
CONECT   25   13                                                      
CONECT   26   13                                                      
CONECT   27   14                                                      
CONECT   28   14                                                      
CONECT   29   12   30   38   39                                       
CONECT   30   29   31   33   40                                       
CONECT   31   30   32   41   42                                       
CONECT   32   31   34   34   35                                       
CONECT   32   36   36                                                 
CONECT   33   30   43                                                 
CONECT   34   32   32                                                 
CONECT   35   32   44                                                 
CONECT   36   32   32                                                 
CONECT   37    4                                                      
CONECT   38   29                                                      
CONECT   39   29                                                      
CONECT   40   30                                                      
CONECT   41   31                                                      
CONECT   42   31                                                      
CONECT   43   33                                                      
CONECT   44   35                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
