COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.127  -0.433  -1.404  1.00  0.00           C  
HETATM    2  C   UNL     1       6.617  -0.297   0.033  1.00  0.00           C  
HETATM    3  C   UNL     1       6.881  -1.599   0.792  1.00  0.00           C  
HETATM    4  C   UNL     1       7.347   0.855   0.726  1.00  0.00           C  
HETATM    5  C   UNL     1       5.137  -0.016   0.016  1.00  0.00           C  
HETATM    6  C   UNL     1       4.451   0.146   1.205  1.00  0.00           C  
HETATM    7  C   UNL     1       3.093   0.404   1.190  1.00  0.00           C  
HETATM    8  C   UNL     1       4.466   0.084  -1.189  1.00  0.00           C  
HETATM    9  C   UNL     1       3.108   0.343  -1.204  1.00  0.00           C  
HETATM   10  C   UNL     1       2.421   0.499  -0.014  1.00  0.00           C  
HETATM   11  S   UNL     1       0.690   0.828  -0.034  1.00  0.00           S  
HETATM   12  O   UNL     1       0.389   1.466   1.199  1.00  0.00           O  
HETATM   13  O   UNL     1       0.406   1.409  -1.299  1.00  0.00           O  
HETATM   14  N   UNL     1      -0.087  -0.634  -0.006  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.397  -0.680  -0.014  1.00  0.00           C  
HETATM   16  S   UNL     1      -2.533   0.683  -0.054  1.00  0.00           S  
HETATM   17  C   UNL     1      -3.979  -0.343  -0.041  1.00  0.00           C  
HETATM   18  S   UNL     1      -5.657   0.192  -0.066  1.00  0.00           S  
HETATM   19  O   UNL     1      -5.732   1.234  -1.030  1.00  0.00           O  
HETATM   20  O   UNL     1      -6.452  -0.984  -0.130  1.00  0.00           O  
HETATM   21  N   UNL     1      -5.971   0.891   1.402  1.00  0.00           N  
HETATM   22  N   UNL     1      -3.554  -1.558  -0.010  1.00  0.00           N  
HETATM   23  N   UNL     1      -2.197  -1.789   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.641  -3.144   0.028  1.00  0.00           C  
HETATM   25  H   UNL     1       6.607  -1.254  -1.898  1.00  0.00           H  
HETATM   26  H   UNL     1       6.939   0.494  -1.945  1.00  0.00           H  
HETATM   27  H   UNL     1       8.198  -0.636  -1.392  1.00  0.00           H  
HETATM   28  H   UNL     1       6.361  -2.420   0.298  1.00  0.00           H  
HETATM   29  H   UNL     1       7.952  -1.802   0.804  1.00  0.00           H  
HETATM   30  H   UNL     1       6.518  -1.502   1.816  1.00  0.00           H  
HETATM   31  H   UNL     1       8.418   0.652   0.738  1.00  0.00           H  
HETATM   32  H   UNL     1       7.160   1.782   0.185  1.00  0.00           H  
HETATM   33  H   UNL     1       6.984   0.951   1.749  1.00  0.00           H  
HETATM   34  H   UNL     1       4.976   0.072   2.146  1.00  0.00           H  
HETATM   35  H   UNL     1       2.557   0.530   2.119  1.00  0.00           H  
HETATM   36  H   UNL     1       5.003  -0.037  -2.118  1.00  0.00           H  
HETATM   37  H   UNL     1       2.584   0.421  -2.145  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.275   0.938   2.076  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.852   1.252   1.589  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.510  -3.462   1.063  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.323  -3.827  -0.478  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.676  -3.152  -0.479  1.00  0.00           H  
CONECT    1    2   25   26   27                                       
CONECT    2    4    3    5    1                                       
CONECT    3    2   28   29   30                                       
CONECT    4    2   31   32   33                                       
CONECT    5    8    2    6    6                                       
CONECT    6    5    5    7   34                                       
CONECT    7   10   10    6   35                                       
CONECT    8    9    9    5   36                                       
CONECT    9    8    8   10   37                                       
CONECT   10    9   11    7    7                                       
CONECT   11   12   12   14   10                                       
CONECT   11   13   13                                                 
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14   11   15   15                                            
CONECT   15   14   14   23   16                                       
CONECT   16   15   17                                                 
CONECT   17   22   22   16   18                                       
CONECT   18   17   20   20   21                                       
CONECT   18   19   19                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21   18   38   39                                            
CONECT   22   23   17   17                                            
CONECT   23   24   15   22                                            
CONECT   24   23   40   41   42                                       
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   24                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
