COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.232  -1.261   1.291  1.00  0.00           C  
HETATM    2  C   UNL     1       3.260  -0.701   0.367  1.00  0.00           C  
HETATM    3  C   UNL     1       1.931  -1.104   0.112  1.00  0.00           C  
HETATM    4  C   UNL     1       1.173  -0.442  -0.804  1.00  0.00           C  
HETATM    5  C   UNL     1       1.693   0.641  -1.502  1.00  0.00           C  
HETATM    6  C   UNL     1       2.984   1.055  -1.273  1.00  0.00           C  
HETATM    7  C   UNL     1       3.780   0.389  -0.337  1.00  0.00           C  
HETATM    8  S   UNL     1       5.441   0.680   0.166  1.00  0.00           S  
HETATM    9  C   UNL     1       5.403  -0.656   1.300  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.503   1.779  -0.910  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.238   1.199  -0.147  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.576  -0.879  -0.159  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.551  -2.359   0.123  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.166  -0.304   0.008  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.693  -2.825   0.834  1.00  0.00           O  
HETATM   16  O   UNL     1      -3.483  -3.161  -0.417  1.00  0.00           O  
HETATM   17  O   UNL     1      -3.027  -0.655  -1.496  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.526  -0.189   0.822  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.623   1.305   0.493  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.575   1.923   1.361  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.250   1.958   0.682  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.302   3.319   0.250  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.243  -0.887  -1.064  1.00  0.00           C  
HETATM   24  H   UNL     1       4.010  -2.107   1.926  1.00  0.00           H  
HETATM   25  H   UNL     1       6.233  -0.946   1.927  1.00  0.00           H  
HETATM   26  H   UNL     1       1.514  -1.944   0.647  1.00  0.00           H  
HETATM   27  H   UNL     1       1.082   1.158  -2.226  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.560  -0.536  -2.046  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.293  -1.975  -1.033  1.00  0.00           H  
HETATM   30  H   UNL     1       3.383   1.897  -1.819  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.784  -0.551   0.998  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.967   1.916   1.734  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.915  -0.994  -1.673  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.514  -0.643   0.750  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.146  -0.308   1.837  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.426  -4.103  -0.208  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.941   1.429  -0.543  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.688   2.872   1.209  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.461   3.789   0.329  1.00  0.00           H  
CONECT    1    2    9    9   24                                       
CONECT    2    1    3    7    7                                       
CONECT    3    2    4    4   26                                       
CONECT    4    3    3    5   23                                       
CONECT    5    4    6    6   27                                       
CONECT    6    5    5    7   30                                       
CONECT    7    2    2    6    8                                       
CONECT    8    7    9                                                 
CONECT    9    1    1    8   25                                       
CONECT   10   11   11                                                 
CONECT   11   10   10   14   21                                       
CONECT   12   13   14   17   18                                       
CONECT   13   12   15   15   16                                       
CONECT   14   11   12   23   31                                       
CONECT   15   13   13                                                 
CONECT   16   13   36                                                 
CONECT   17   12   33                                                 
CONECT   18   12   19   34   35                                       
CONECT   19   18   20   21   37                                       
CONECT   20   19   38                                                 
CONECT   21   11   19   22   32                                       
CONECT   22   21   39                                                 
CONECT   23    4   14   28   29                                       
CONECT   24    1                                                      
CONECT   25    9                                                      
CONECT   26    3                                                      
CONECT   27    5                                                      
CONECT   28   23                                                      
CONECT   29   23                                                      
CONECT   30    6                                                      
CONECT   31   14                                                      
CONECT   32   21                                                      
CONECT   33   17                                                      
CONECT   34   18                                                      
CONECT   35   18                                                      
CONECT   36   16                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   22                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
