COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -3.948  -0.235   0.063  1.00  0.00           S  
HETATM    2  O   UNL     1      -5.220  -0.119  -0.561  1.00  0.00           O  
HETATM    3  O   UNL     1      -3.750  -0.895   1.306  1.00  0.00           O  
HETATM    4  N   UNL     1      -2.958  -0.988  -1.029  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.344   1.407   0.270  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.810   2.423  -0.543  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.336   3.711  -0.380  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.395   3.984   0.595  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.929   2.968   1.409  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.407   1.681   1.250  1.00  0.00           C  
HETATM   11  C   UNL     1       1.233   0.622   0.150  1.00  0.00           C  
HETATM   12  C   UNL     1       2.702   0.387   0.392  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.591  -1.127  -0.756  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.159  -2.213  -0.112  1.00  0.00           C  
HETATM   15  C   UNL     1       0.691  -0.459  -0.787  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.752  -0.181  -1.146  1.00  0.00           C  
HETATM   17  S   UNL     1       0.599  -2.069   0.066  1.00  0.00           S  
HETATM   18  S   UNL     1      -2.128  -3.511   0.442  1.00  0.00           S  
HETATM   19  O   UNL     1      -1.107   0.817  -1.737  1.00  0.00           O  
HETATM   20  C   UNL     1       3.605   1.020  -0.345  1.00  0.00           C  
HETATM   21  C   UNL     1       3.146  -0.567   1.471  1.00  0.00           C  
HETATM   22  C   UNL     1       5.036   0.672  -0.221  1.00  0.00           C  
HETATM   23  C   UNL     1       5.425  -0.663  -0.106  1.00  0.00           C  
HETATM   24  C   UNL     1       6.004   1.677  -0.225  1.00  0.00           C  
HETATM   25  C   UNL     1       7.338   1.346  -0.109  1.00  0.00           C  
HETATM   26  C   UNL     1       6.763  -0.981   0.009  1.00  0.00           C  
HETATM   27  C   UNL     1       7.717   0.021   0.010  1.00  0.00           C  
HETATM   28  H   UNL     1      -3.324  -1.333  -1.858  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.545   2.210  -1.305  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.700   4.505  -1.016  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.024   4.990   0.722  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.194   3.181   2.171  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.046   0.888   1.888  1.00  0.00           H  
HETATM   34  H   UNL     1       0.698   0.582   1.099  1.00  0.00           H  
HETATM   35  H   UNL     1       1.092   1.602  -0.305  1.00  0.00           H  
HETATM   36  H   UNL     1       1.305  -0.532  -1.685  1.00  0.00           H  
HETATM   37  H   UNL     1       3.294   1.789  -1.037  1.00  0.00           H  
HETATM   38  H   UNL     1       3.287  -1.559   1.043  1.00  0.00           H  
HETATM   39  H   UNL     1       4.085  -0.218   1.900  1.00  0.00           H  
HETATM   40  H   UNL     1       2.385  -0.612   2.250  1.00  0.00           H  
HETATM   41  H   UNL     1       4.681  -1.445  -0.106  1.00  0.00           H  
HETATM   42  H   UNL     1       5.709   2.712  -0.319  1.00  0.00           H  
HETATM   43  H   UNL     1       8.089   2.123  -0.113  1.00  0.00           H  
HETATM   44  H   UNL     1       7.065  -2.014   0.099  1.00  0.00           H  
HETATM   45  H   UNL     1       8.763  -0.234   0.101  1.00  0.00           H  
CONECT    1    2    2    3    3                                       
CONECT    1    4    5                                                 
CONECT    2    1    1                                                 
CONECT    3    1    1                                                 
CONECT    4    1   13   28                                            
CONECT    5    1    6   10   10                                       
CONECT    6    5    7    7   29                                       
CONECT    7    6    6    8   30                                       
CONECT    8    7    9    9   31                                       
CONECT    9    8    8   10   32                                       
CONECT   10    5    5    9   33                                       
CONECT   11   12   15   34   35                                       
CONECT   12   11   20   20   21                                       
CONECT   13    4   14   16                                            
CONECT   14   13   17   18   18                                       
CONECT   15   11   16   17   36                                       
CONECT   16   13   15   19   19                                       
CONECT   17   14   15                                                 
CONECT   18   14   14                                                 
CONECT   19   16   16                                                 
CONECT   20   12   12   22   37                                       
CONECT   21   12   38   39   40                                       
CONECT   22   20   23   24   24                                       
CONECT   23   22   26   26   41                                       
CONECT   24   22   22   25   42                                       
CONECT   25   24   27   27   43                                       
CONECT   26   23   23   27   44                                       
CONECT   27   25   25   26   45                                       
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   15                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   23                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
