COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.096   0.577  -0.829  1.00  0.00           C  
HETATM    2  C   UNL     1       5.043  -0.127  -0.080  1.00  0.00           C  
HETATM    3  C   UNL     1       4.644  -1.207   0.713  1.00  0.00           C  
HETATM    4  C   UNL     1       3.324  -1.576   0.756  1.00  0.00           C  
HETATM    5  C   UNL     1       2.378  -0.872   0.007  1.00  0.00           C  
HETATM    6  C   UNL     1       2.777   0.205  -0.791  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.470  -2.450   0.172  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.407  -1.059   0.067  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.170  -0.466   0.010  1.00  0.00           C  
HETATM   10  C   UNL     1       0.956  -1.269   0.053  1.00  0.00           C  
HETATM   11  S   UNL     1       0.256  -2.905   0.177  1.00  0.00           S  
HETATM   12  C   UNL     1       6.422   0.258  -0.125  1.00  0.00           C  
HETATM   13  N   UNL     1       7.515   0.563  -0.160  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.609  -3.284   0.247  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.460  -4.623   0.337  1.00  0.00           O  
HETATM   16  O   UNL     1      -3.724  -2.795   0.230  1.00  0.00           O  
HETATM   17  N   UNL     1      -2.569  -0.293   0.028  1.00  0.00           N  
HETATM   18  S   UNL     1      -2.626   1.078  -0.900  1.00  0.00           S  
HETATM   19  C   UNL     1      -1.807   2.755   1.092  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.537   2.255  -0.168  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.419   2.684  -0.858  1.00  0.00           C  
HETATM   22  C   UNL     1       0.435   3.607  -0.283  1.00  0.00           C  
HETATM   23  C   UNL     1       0.168   4.104   0.979  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.953   3.678   1.666  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.029   2.291   1.841  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.934   1.605  -0.731  1.00  0.00           O  
HETATM   27  O   UNL     1      -2.035   0.727  -2.144  1.00  0.00           O  
HETATM   28  H   UNL     1       4.404   1.412  -1.442  1.00  0.00           H  
HETATM   29  H   UNL     1       5.376  -1.751   1.292  1.00  0.00           H  
HETATM   30  H   UNL     1       3.016  -2.410   1.368  1.00  0.00           H  
HETATM   31  H   UNL     1       2.045   0.748  -1.369  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.077   0.607  -0.067  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.349  -5.001   0.377  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.345  -0.562   0.544  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.210   2.296  -1.844  1.00  0.00           H  
HETATM   36  H   UNL     1       1.310   3.941  -0.821  1.00  0.00           H  
HETATM   37  H   UNL     1       0.835   4.825   1.428  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.162   4.066   2.652  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.892   2.879   1.529  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.209   1.238   1.625  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.870   2.420   2.912  1.00  0.00           H  
CONECT    1    2    6    6   28                                       
CONECT    2    1    3    3   12                                       
CONECT    3    2    2    4   29                                       
CONECT    4    3    5    5   30                                       
CONECT    5    4    4    6   10                                       
CONECT    6    1    1    5   31                                       
CONECT    7    8    8   11   14                                       
CONECT    8    7    7    9   17                                       
CONECT    9    8   10   10   32                                       
CONECT   10    5    9    9   11                                       
CONECT   11    7   10                                                 
CONECT   12    2   13   13   13                                       
CONECT   13   12   12   12                                            
CONECT   14    7   15   16   16                                       
CONECT   15   14   33                                                 
CONECT   16   14   14                                                 
CONECT   17    8   18   34                                            
CONECT   18   17   20   26   26                                       
CONECT   18   27   27                                                 
CONECT   19   20   24   24   25                                       
CONECT   20   18   19   21   21                                       
CONECT   21   20   20   22   35                                       
CONECT   22   21   23   23   36                                       
CONECT   23   22   22   24   37                                       
CONECT   24   19   19   23   38                                       
CONECT   25   19   39   40   41                                       
CONECT   26   18   18                                                 
CONECT   27   18   18                                                 
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    9                                                      
CONECT   33   15                                                      
CONECT   34   17                                                      
CONECT   35   21                                                      
CONECT   36   22                                                      
CONECT   37   23                                                      
CONECT   38   24                                                      
CONECT   39   25                                                      
CONECT   40   25                                                      
CONECT   41   25                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
