COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.367  -2.020  -0.002  1.00  0.00           C  
HETATM    2  C   UNL     1       7.191  -2.749  -0.002  1.00  0.00           C  
HETATM    3  C   UNL     1       8.330  -0.637   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       5.973  -2.099  -0.001  1.00  0.00           C  
HETATM    5  C   UNL     1       7.119   0.024   0.001  1.00  0.00           C  
HETATM    6  C   UNL     1       4.587   1.394   0.002  1.00  0.00           C  
HETATM    7  C   UNL     1       3.438  -0.735   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.381   2.047   0.002  1.00  0.00           C  
HETATM    9  C   UNL     1       2.230  -0.086   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       5.930  -0.705   0.001  1.00  0.00           C  
HETATM   11  C   UNL     1       4.626  -0.001   0.001  1.00  0.00           C  
HETATM   12  C   UNL     1       2.189   1.314   0.001  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.219  -0.682  -0.004  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.165   0.347  -0.004  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.124   1.198  -0.002  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.674  -2.020  -0.001  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.881  -1.199   0.003  1.00  0.00           C  
HETATM   18  C   UNL     1       0.895   2.011   0.001  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.388   1.221   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.989  -0.104  -0.003  1.00  0.00           N  
HETATM   21  N   UNL     1      -6.469   0.049   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1      -4.455   1.522  -0.007  1.00  0.00           N  
HETATM   23  N   UNL     1      -6.007  -2.245   0.003  1.00  0.00           N  
HETATM   24  N   UNL     1      -8.230  -1.457   0.006  1.00  0.00           N  
HETATM   25  O   UNL     1      -3.884  -2.949  -0.001  1.00  0.00           O  
HETATM   26  O   UNL     1       0.860   3.224   0.003  1.00  0.00           O  
HETATM   27  S   UNL     1      -1.797   2.357   0.000  1.00  0.00           S  
HETATM   28  H   UNL     1       9.317  -2.533   0.002  1.00  0.00           H  
HETATM   29  H   UNL     1       7.226  -3.828  -0.002  1.00  0.00           H  
HETATM   30  H   UNL     1       9.251  -0.073   0.000  1.00  0.00           H  
HETATM   31  H   UNL     1       5.056  -2.669  -0.001  1.00  0.00           H  
HETATM   32  H   UNL     1       7.091   1.103   0.002  1.00  0.00           H  
HETATM   33  H   UNL     1       5.507   1.959  -0.001  1.00  0.00           H  
HETATM   34  H   UNL     1       3.352   3.127   0.004  1.00  0.00           H  
HETATM   35  H   UNL     1       3.471  -1.814  -0.001  1.00  0.00           H  
HETATM   36  H   UNL     1       1.312  -0.654  -0.001  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.827   2.417  -0.008  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.343  -3.155   0.006  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.864  -0.723   0.007  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.549  -2.373   0.009  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.427   0.594  -0.891  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.428   0.591   0.889  1.00  0.00           H  
CONECT    1    2    3    3   28                                       
CONECT    2    1    4    4   29                                       
CONECT    3    1    1    5   30                                       
CONECT    4    2    2   10   31                                       
CONECT    5    3   10   10   32                                       
CONECT    6    8   11   11   33                                       
CONECT    7    9    9   11   35                                       
CONECT    8    6   12   12   34                                       
CONECT    9    7    7   12   36                                       
CONECT   10    4    5    5   11                                       
CONECT   11    6    6    7   10                                       
CONECT   12    8    8    9   18                                       
CONECT   13   14   14   16   20                                       
CONECT   14   13   13   21   22                                       
CONECT   15   20   20   22   27                                       
CONECT   16   13   23   25   25                                       
CONECT   17   21   21   23   24                                       
CONECT   18   12   19   26   26                                       
CONECT   19   18   27   41   42                                       
CONECT   20   13   15   15                                            
CONECT   21   14   17   17                                            
CONECT   22   14   15   37                                            
CONECT   23   16   17   38                                            
CONECT   24   17   39   40                                            
CONECT   25   16   16                                                 
CONECT   26   18   18                                                 
CONECT   27   15   19                                                 
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35    7                                                      
CONECT   36    9                                                      
CONECT   37   22                                                      
CONECT   38   23                                                      
CONECT   39   24                                                      
CONECT   40   24                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
