COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.818   1.468   2.026  1.00  0.00           N  
HETATM    2  C   UNL     1      -5.264   3.981  -0.202  1.00  0.00           C  
HETATM    3  S   UNL     1      -4.018   2.898  -0.955  1.00  0.00           S  
HETATM    4  C   UNL     1      -3.252   2.097   0.480  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.161   1.135   0.005  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.515   0.459   1.216  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.527  -0.577   0.745  1.00  0.00           C  
HETATM    8  N   UNL     1       0.706  -0.323   0.433  1.00  0.00           N  
HETATM    9  O   UNL     1       6.137   2.716  -0.159  1.00  0.00           O  
HETATM   10  C   UNL     1       3.071   0.783   0.028  1.00  0.00           C  
HETATM   11  C   UNL     1       3.937   1.845   0.077  1.00  0.00           C  
HETATM   12  C   UNL     1       5.286   1.660  -0.209  1.00  0.00           C  
HETATM   13  C   UNL     1       5.765   0.398  -0.544  1.00  0.00           C  
HETATM   14  C   UNL     1       4.909  -0.672  -0.596  1.00  0.00           C  
HETATM   15  C   UNL     1       3.549  -0.493  -0.305  1.00  0.00           C  
HETATM   16  C   UNL     1       2.630  -1.632  -0.359  1.00  0.00           C  
HETATM   17  C   UNL     1       1.322  -1.481   0.048  1.00  0.00           C  
HETATM   18  C   UNL     1       0.298  -2.535   0.158  1.00  0.00           C  
HETATM   19  O   UNL     1       0.428  -3.720  -0.090  1.00  0.00           O  
HETATM   20  N   UNL     1      -0.813  -1.905   0.599  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.106  -2.538   0.870  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.946  -2.521  -0.382  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.509  -2.031  -1.396  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.179  -3.051  -0.370  1.00  0.00           O  
HETATM   25  H   UNL     1      -0.437   1.057   2.865  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.098   1.928   1.489  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.796   4.522  -0.984  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.971   3.379   0.369  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.773   4.692   0.462  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.811   2.855   1.127  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.009   1.542   1.034  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.602   0.377  -0.642  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.404   1.690  -0.549  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.285  -0.021   1.819  1.00  0.00           H  
HETATM   35  H   UNL     1       6.542   2.854   0.708  1.00  0.00           H  
HETATM   36  H   UNL     1       2.024   0.927   0.250  1.00  0.00           H  
HETATM   37  H   UNL     1       3.570   2.827   0.337  1.00  0.00           H  
HETATM   38  H   UNL     1       6.813   0.261  -0.765  1.00  0.00           H  
HETATM   39  H   UNL     1       5.282  -1.651  -0.858  1.00  0.00           H  
HETATM   40  H   UNL     1       2.977  -2.590  -0.717  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.947  -3.568   1.187  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.621  -1.990   1.660  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.680  -3.017  -1.196  1.00  0.00           H  
CONECT    1    6   25   26                                            
CONECT    2    3   27   28   29                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   30   31                                       
CONECT    5    4    6   32   33                                       
CONECT    6    5    7    1   34                                       
CONECT    7    6    8    8   20                                       
CONECT    8    7    7   17                                            
CONECT    9   12   35                                                 
CONECT   10   11   11   15   36                                       
CONECT   11   12   10   10   37                                       
CONECT   12    9   13   13   11                                       
CONECT   13   12   12   14   38                                       
CONECT   14   13   15   15   39                                       
CONECT   15   14   14   10   16                                       
CONECT   16   15   17   17   40                                       
CONECT   17    8   16   16   18                                       
CONECT   18   17   20   19   19                                       
CONECT   19   18   18                                                 
CONECT   20    7   18   21                                            
CONECT   21   22   20   41   42                                       
CONECT   22   24   23   23   21                                       
CONECT   23   22   22                                                 
CONECT   24   22   43                                                 
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   24                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
