COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.528   2.520  -2.143  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.213   2.547  -0.983  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.756   3.572  -0.622  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.302   1.334  -0.151  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.674   0.154  -0.558  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.761  -0.977   0.224  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.470  -0.950   1.414  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.096   0.209   1.829  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.014   1.358   1.058  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.624   2.498   1.466  1.00  0.00           O  
HETATM   11  S   UNL     1      -1.968  -2.463  -0.291  1.00  0.00           S  
HETATM   12  O   UNL     1      -2.730  -3.533   0.251  1.00  0.00           O  
HETATM   13  O   UNL     1      -1.710  -2.319  -1.681  1.00  0.00           O  
HETATM   14  N   UNL     1      -0.491  -2.515   0.456  1.00  0.00           N  
HETATM   15  C   UNL     1       0.463  -1.532   0.186  1.00  0.00           C  
HETATM   16  C   UNL     1       0.716  -0.532   1.116  1.00  0.00           C  
HETATM   17  C   UNL     1       1.661   0.438   0.846  1.00  0.00           C  
HETATM   18  C   UNL     1       2.355   0.415  -0.350  1.00  0.00           C  
HETATM   19  C   UNL     1       2.107  -0.580  -1.278  1.00  0.00           C  
HETATM   20  C   UNL     1       1.167  -1.556  -1.012  1.00  0.00           C  
HETATM   21  C   UNL     1       3.385   1.475  -0.642  1.00  0.00           C  
HETATM   22  C   UNL     1       4.732   1.020  -0.140  1.00  0.00           C  
HETATM   23  C   UNL     1       5.572   0.302  -0.971  1.00  0.00           C  
HETATM   24  C   UNL     1       6.806  -0.116  -0.511  1.00  0.00           C  
HETATM   25  C   UNL     1       7.201   0.183   0.780  1.00  0.00           C  
HETATM   26  C   UNL     1       6.360   0.901   1.611  1.00  0.00           C  
HETATM   27  C   UNL     1       5.128   1.324   1.149  1.00  0.00           C  
HETATM   28  H   UNL     1      -2.497   3.340  -2.654  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.121   0.129  -1.485  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.534  -1.842   2.021  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.647   0.221   2.758  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.536   2.589   1.157  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.289  -3.229   1.082  1.00  0.00           H  
HETATM   34  H   UNL     1       0.173  -0.513   2.050  1.00  0.00           H  
HETATM   35  H   UNL     1       1.857   1.216   1.568  1.00  0.00           H  
HETATM   36  H   UNL     1       2.651  -0.595  -2.211  1.00  0.00           H  
HETATM   37  H   UNL     1       0.977  -2.335  -1.735  1.00  0.00           H  
HETATM   38  H   UNL     1       3.437   1.646  -1.717  1.00  0.00           H  
HETATM   39  H   UNL     1       3.105   2.402  -0.140  1.00  0.00           H  
HETATM   40  H   UNL     1       5.264   0.068  -1.979  1.00  0.00           H  
HETATM   41  H   UNL     1       7.463  -0.677  -1.159  1.00  0.00           H  
HETATM   42  H   UNL     1       8.165  -0.144   1.140  1.00  0.00           H  
HETATM   43  H   UNL     1       6.668   1.134   2.619  1.00  0.00           H  
HETATM   44  H   UNL     1       4.471   1.885   1.798  1.00  0.00           H  
CONECT    1    2   28                                                 
CONECT    2    3    3    1    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    5    9                                       
CONECT    5    4    4    6   29                                       
CONECT    6    5   11    7    7                                       
CONECT    7    6    6    8   30                                       
CONECT    8    9    9    7   31                                       
CONECT    9    4   10    8    8                                       
CONECT   10    9   32                                                 
CONECT   11   12   12   13   13                                       
CONECT   11    6   14                                                 
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14   11   15   33                                            
CONECT   15   14   20   20   16                                       
CONECT   16   15   17   17   34                                       
CONECT   17   16   16   18   35                                       
CONECT   18   19   19   17   21                                       
CONECT   19   20   18   18   36                                       
CONECT   20   15   15   19   37                                       
CONECT   21   22   18   38   39                                       
CONECT   22   27   27   23   21                                       
CONECT   23   24   24   22   40                                       
CONECT   24   25   23   23   41                                       
CONECT   25   26   26   24   42                                       
CONECT   26   25   25   27   43                                       
CONECT   27   26   22   22   44                                       
CONECT   28    1                                                      
CONECT   29    5                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32   10                                                      
CONECT   33   14                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
CONECT   43   26                                                      
CONECT   44   27                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
