COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.603  -1.569   0.223  1.00  0.00           C  
HETATM    2  O   UNL     1       5.280  -1.344   0.241  1.00  0.00           O  
HETATM    3  C   UNL     1       4.818  -0.082  -0.309  1.00  0.00           C  
HETATM    4  C   UNL     1       3.312  -0.053  -0.306  1.00  0.00           C  
HETATM    5  S   UNL     1       0.913  -0.669  -1.421  1.00  0.00           S  
HETATM    6  CA  UNL     1       2.733   0.960   0.296  1.00  0.00           C  
HETATM    7  C   UNL     1       3.629   1.950   0.920  1.00  0.00           C  
HETATM    8  O   UNL     1       3.975   2.934   0.297  1.00  0.00           O  
HETATM    9  OXT UNL     1       4.066   1.764   2.182  1.00  0.00           O  
HETATM   10  N   UNL     1       1.370   1.202   0.410  1.00  0.00           N  
HETATM   11  C   UNL     1       0.388   0.147   0.121  1.00  0.00           C  
HETATM   12  CA  UNL     1      -1.002   0.761  -0.061  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.961  -0.294  -0.400  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.269  -0.130  -0.123  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.961   1.778  -1.172  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.660   1.636  -2.147  1.00  0.00           O  
HETATM   17  C   UNL     1       7.156  -2.857   0.776  1.00  0.00           C  
HETATM   18  C   UNL     1       2.603  -1.183  -0.996  1.00  0.00           C  
HETATM   19  O   UNL     1       7.350  -0.742  -0.243  1.00  0.00           O  
HETATM   20  C   UNL     1      -4.255  -1.215  -0.472  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.654   0.892   0.406  1.00  0.00           O  
HETATM   22  C   UNL     1      -5.641  -0.785  -0.062  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.497  -0.115  -0.833  1.00  0.00           C  
HETATM   24  S   UNL     1      -6.377  -1.099   1.504  1.00  0.00           S  
HETATM   25  C   UNL     1      -7.848  -0.270   1.012  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.715   0.171  -0.240  1.00  0.00           C  
HETATM   27  H   UNL     1       5.199   0.740   0.297  1.00  0.00           H  
HETATM   28  H   UNL     1       5.181   0.023  -1.332  1.00  0.00           H  
HETATM   29  H   UNL     1       1.062   2.080   0.685  1.00  0.00           H  
HETATM   30  H   UNL     1       0.372  -0.576   0.937  1.00  0.00           H  
HETATM   31  HA  UNL     1      -1.309   1.247   0.865  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.653  -1.111  -0.823  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.306   2.633  -1.097  1.00  0.00           H  
HETATM   34  H   UNL     1       6.337  -3.475   1.145  1.00  0.00           H  
HETATM   35  H   UNL     1       7.690  -3.391  -0.009  1.00  0.00           H  
HETATM   36  H   UNL     1       7.841  -2.636   1.595  1.00  0.00           H  
HETATM   37  H   UNL     1       3.143  -1.450  -1.904  1.00  0.00           H  
HETATM   38  H   UNL     1       2.561  -2.046  -0.331  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.234  -1.393  -1.547  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.988  -2.131   0.054  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.259   0.183  -1.844  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.726  -0.141   1.627  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.499   0.709  -0.753  1.00  0.00           H  
HETATM   44  HXT UNL     1       4.652   2.440   2.548  1.00  0.00           H  
CONECT    1    2   17   19   19                                       
CONECT    2    1    3                                                 
CONECT    3    2    4   27   28                                       
CONECT    4    3    6    6   18                                       
CONECT    5   11   18                                                 
CONECT    6    4    4    7   10                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   44                                                 
CONECT   10    6   11   29                                            
CONECT   11    5   10   12   30                                       
CONECT   12   11   13   15   31                                       
CONECT   13   12   14   32                                            
CONECT   14   13   20   21   21                                       
CONECT   15   12   16   16   33                                       
CONECT   16   15   15                                                 
CONECT   17    1   34   35   36                                       
CONECT   18    4    5   37   38                                       
CONECT   19    1    1                                                 
CONECT   20   14   22   39   40                                       
CONECT   21   14   14                                                 
CONECT   22   20   23   23   24                                       
CONECT   23   22   22   26   41                                       
CONECT   24   22   25                                                 
CONECT   25   24   26   26   42                                       
CONECT   26   23   25   25   43                                       
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29   10                                                      
CONECT   30   11                                                      
CONECT   31   12                                                      
CONECT   32   13                                                      
CONECT   33   15                                                      
CONECT   34   17                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   23                                                      
CONECT   42   25                                                      
CONECT   43   26                                                      
CONECT   44    9                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
