COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.409  -0.102  -0.100  1.00  0.00           N  
HETATM    2  C   UNL     1       5.552   1.185  -0.352  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.729   0.698  -1.130  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.881  -0.064   1.273  1.00  0.00           C  
HETATM    5  C   UNL     1       3.412   0.208   0.432  1.00  0.00           C  
HETATM    6  C   UNL     1       0.657   0.451   0.334  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.231   0.378  -1.084  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.819   1.492  -0.770  1.00  0.00           C  
HETATM    9  C   UNL     1       2.702   0.480   1.587  1.00  0.00           C  
HETATM   10  C   UNL     1       1.327   0.602   1.542  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.706   0.778  -1.182  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.168   1.302   0.503  1.00  0.00           C  
HETATM   13  S   UNL     1      -7.060   0.162   1.256  1.00  0.00           S  
HETATM   14  C   UNL     1      -6.155   0.005  -0.244  1.00  0.00           C  
HETATM   15  S   UNL     1      -4.738  -1.016  -0.474  1.00  0.00           S  
HETATM   16  O   UNL     1      -4.660  -1.286  -1.867  1.00  0.00           O  
HETATM   17  O   UNL     1      -4.815  -2.036   0.512  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.378  -0.354   1.224  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.733   0.574   0.285  1.00  0.00           N  
HETATM   20  C   UNL     1       1.375   0.189  -0.826  1.00  0.00           C  
HETATM   21  C   UNL     1       2.749   0.063  -0.773  1.00  0.00           C  
HETATM   22  C   UNL     1       4.912   0.075   0.485  1.00  0.00           C  
HETATM   23  C   UNL     1       5.324  -1.288  -0.075  1.00  0.00           C  
HETATM   24  F   UNL     1       5.006  -1.348  -1.436  1.00  0.00           F  
HETATM   25  F   UNL     1       6.702  -1.463   0.090  1.00  0.00           F  
HETATM   26  F   UNL     1       4.640  -2.299   0.609  1.00  0.00           F  
HETATM   27  F   UNL     1       5.176   2.431   0.161  1.00  0.00           F  
HETATM   28  F   UNL     1       6.945   1.062  -0.302  1.00  0.00           F  
HETATM   29  F   UNL     1       5.121   1.077  -1.678  1.00  0.00           F  
HETATM   30  O   UNL     1       5.352   0.186   1.840  1.00  0.00           O  
HETATM   31  H   UNL     1      -3.127   0.445  -2.112  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.883   1.758  -0.930  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.050   0.923   1.702  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.381  -0.821   1.878  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.071  -0.658  -1.384  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.696   1.041  -1.763  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.360   2.155  -1.428  1.00  0.00           H  
HETATM   38  H   UNL     1       3.223   0.597   2.525  1.00  0.00           H  
HETATM   39  H   UNL     1       0.773   0.814   2.444  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.314   0.842  -2.186  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.003   1.777   0.997  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.949  -0.222   2.217  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.215  -1.380   0.892  1.00  0.00           H  
HETATM   44  H   UNL     1       0.857   0.071  -1.767  1.00  0.00           H  
HETATM   45  H   UNL     1       3.307  -0.140  -1.675  1.00  0.00           H  
HETATM   46  H   UNL     1       4.985  -0.487   2.429  1.00  0.00           H  
CONECT    1   15    3    4                                            
CONECT    2   22   28   27   29                                       
CONECT    3    1    7   31   32                                       
CONECT    4    1   18   33   34                                       
CONECT    5   21   21    9   22                                       
CONECT    6   19   20   20   10                                       
CONECT    7    3   19   35   36                                       
CONECT    8   12   12   11   37                                       
CONECT    9   10   10    5   38                                       
CONECT   10    6    9    9   39                                       
CONECT   11   14   14    8   40                                       
CONECT   12   13    8    8   41                                       
CONECT   13   14   12                                                 
CONECT   14   15   13   11   11                                       
CONECT   15   16   16   17   17                                       
CONECT   15    1   14                                                 
CONECT   16   15   15                                                 
CONECT   17   15   15                                                 
CONECT   18    4   19   42   43                                       
CONECT   19    7   18    6                                            
CONECT   20    6    6   21   44                                       
CONECT   21   20    5    5   45                                       
CONECT   22    5   30   23    2                                       
CONECT   23   26   22   24   25                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   23                                                      
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30   22   46                                                 
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   30                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
