COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.475  -0.331  -0.044  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.027  -0.284  -0.291  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.622  -0.084   1.308  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.726   0.608   1.769  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.684   1.054   0.877  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.536   0.808  -0.476  1.00  0.00           C  
HETATM    7  N   UNL     1       0.346   1.374   0.178  1.00  0.00           N  
HETATM    8  C   UNL     1       0.280  -0.769  -0.344  1.00  0.00           C  
HETATM    9  C   UNL     1       3.447   1.212  -0.360  1.00  0.00           C  
HETATM   10  C   UNL     1       2.977   2.540  -0.894  1.00  0.00           C  
HETATM   11  C   UNL     1       2.599   0.225   0.007  1.00  0.00           C  
HETATM   12  C   UNL     1       6.395  -0.778   0.489  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.174  -2.429   0.190  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.421  -1.344  -2.047  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.274  -1.091  -0.545  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.432   0.115  -0.936  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.991   0.986   0.022  1.00  0.00           N  
HETATM   18  C   UNL     1       1.127   0.279  -0.051  1.00  0.00           C  
HETATM   19  N   UNL     1       4.719   0.911  -0.215  1.00  0.00           N  
HETATM   20  C   UNL     1       5.000  -0.259   0.253  1.00  0.00           C  
HETATM   21  S   UNL     1       3.567  -1.136   0.567  1.00  0.00           S  
HETATM   22  H   UNL     1      -2.874  -0.433   2.005  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.842   0.800   2.825  1.00  0.00           H  
HETATM   24  H   UNL     1      -6.547   1.595   1.236  1.00  0.00           H  
HETATM   25  H   UNL     1      -6.284   1.157  -1.173  1.00  0.00           H  
HETATM   26  H   UNL     1       0.660   2.262   0.410  1.00  0.00           H  
HETATM   27  H   UNL     1       0.575  -1.782  -0.573  1.00  0.00           H  
HETATM   28  H   UNL     1       2.839   3.237  -0.067  1.00  0.00           H  
HETATM   29  H   UNL     1       3.720   2.938  -1.584  1.00  0.00           H  
HETATM   30  H   UNL     1       2.030   2.407  -1.417  1.00  0.00           H  
HETATM   31  H   UNL     1       6.753  -1.281  -0.409  1.00  0.00           H  
HETATM   32  H   UNL     1       7.057   0.054   0.728  1.00  0.00           H  
HETATM   33  H   UNL     1       6.385  -1.483   1.320  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.070  -2.249   1.260  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.076  -3.013   0.006  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.306  -2.979  -0.172  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.552  -1.893  -2.409  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.323  -1.927  -2.231  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.492  -0.390  -2.570  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.317  -0.077  -1.992  1.00  0.00           H  
CONECT    1    3   15   16   16                                       
CONECT    2    8   15   17   17                                       
CONECT    3    4    4    1   22                                       
CONECT    4    3    3    5   23                                       
CONECT    5    4    6    6   24                                       
CONECT    6    5    5   16   25                                       
CONECT    7   18   17   26                                            
CONECT    8   18   18    2   27                                       
CONECT    9   19   11   11   10                                       
CONECT   10    9   28   29   30                                       
CONECT   11   21    9    9   18                                       
CONECT   12   20   31   32   33                                       
CONECT   13   15   34   35   36                                       
CONECT   14   15   37   38   39                                       
CONECT   15   14    2    1   13                                       
CONECT   16    1    1    6   40                                       
CONECT   17    2    2    7                                            
CONECT   18   11    8    8    7                                       
CONECT   19   20   20    9                                            
CONECT   20   12   21   19   19                                       
CONECT   21   20   11                                                 
CONECT   22    3                                                      
CONECT   23    4                                                      
CONECT   24    5                                                      
CONECT   25    6                                                      
CONECT   26    7                                                      
CONECT   27    8                                                      
CONECT   28   10                                                      
CONECT   29   10                                                      
CONECT   30   10                                                      
CONECT   31   12                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
