COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.788   0.860  -0.761  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.155  -0.530   1.737  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.580  -0.230   0.501  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.181  -0.690  -0.672  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.340   0.572   0.434  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.669   1.697  -0.831  1.00  0.00           C  
HETATM    7  C   UNL     1       0.616   3.357  -1.993  1.00  0.00           C  
HETATM    8  C   UNL     1       0.269   1.692   0.193  1.00  0.00           C  
HETATM    9  C   UNL     1       3.999  -0.539  -0.340  1.00  0.00           C  
HETATM   10  C   UNL     1       2.934  -2.563   0.379  1.00  0.00           C  
HETATM   11  C   UNL     1       3.204  -4.491  -0.988  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.340  -1.439  -0.604  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.906  -1.733   0.626  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.311  -1.284   1.793  1.00  0.00           C  
HETATM   15  F   UNL     1      -5.923  -1.885  -1.738  1.00  0.00           F  
HETATM   16  F   UNL     1      -5.869  -1.575   2.989  1.00  0.00           F  
HETATM   17  O   UNL     1      -1.819   0.972   1.457  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.490   2.532  -1.928  1.00  0.00           C  
HETATM   19  C   UNL     1       1.544   3.353  -0.968  1.00  0.00           C  
HETATM   20  C   UNL     1       1.373   2.519   0.122  1.00  0.00           C  
HETATM   21 CL   UNL     1      -1.656   2.537  -3.214  1.00  0.00          Cl  
HETATM   22  S   UNL     1       2.563   2.513   1.421  1.00  0.00           S  
HETATM   23  N   UNL     1       3.773   1.476   0.972  1.00  0.00           N  
HETATM   24  O   UNL     1       3.136   3.813   1.446  1.00  0.00           O  
HETATM   25  O   UNL     1       1.926   1.922   2.546  1.00  0.00           O  
HETATM   26  C   UNL     1       3.495   0.119   0.775  1.00  0.00           C  
HETATM   27  C   UNL     1       3.718  -1.877  -0.537  1.00  0.00           C  
HETATM   28  C   UNL     1       2.441  -1.910   1.498  1.00  0.00           C  
HETATM   29  C   UNL     1       2.715  -0.571   1.693  1.00  0.00           C  
HETATM   30  O   UNL     1       2.663  -3.882   0.186  1.00  0.00           O  
HETATM   31  F   UNL     1       2.710  -3.837  -2.122  1.00  0.00           F  
HETATM   32  F   UNL     1       4.599  -4.394  -0.964  1.00  0.00           F  
HETATM   33  H   UNL     1      -2.163   0.484  -1.572  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.694  -0.176   2.647  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.741  -0.461  -1.631  1.00  0.00           H  
HETATM   36  H   UNL     1       0.754   4.010  -2.842  1.00  0.00           H  
HETATM   37  H   UNL     1       0.136   1.041   1.045  1.00  0.00           H  
HETATM   38  H   UNL     1       4.606  -0.003  -1.055  1.00  0.00           H  
HETATM   39  H   UNL     1       2.913  -5.542  -1.019  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.813  -2.319   0.674  1.00  0.00           H  
HETATM   41  H   UNL     1       2.406   4.003  -1.019  1.00  0.00           H  
HETATM   42  H   UNL     1       4.675   1.810   0.845  1.00  0.00           H  
HETATM   43  H   UNL     1       4.110  -2.388  -1.404  1.00  0.00           H  
HETATM   44  H   UNL     1       1.830  -2.445   2.210  1.00  0.00           H  
HETATM   45  H   UNL     1       2.323  -0.060   2.561  1.00  0.00           H  
CONECT    1    5    6   33                                            
CONECT    2   14   14    3   34                                       
CONECT    3    4    4    2    5                                       
CONECT    4   12    3    3   35                                       
CONECT    5    3    1   17   17                                       
CONECT    6    1   18   18    8                                       
CONECT    7   18   19   19   36                                       
CONECT    8    6   20   20   37                                       
CONECT    9   27   26   26   38                                       
CONECT   10   30   27   27   28                                       
CONECT   11   31   32   30   39                                       
CONECT   12   15   13   13    4                                       
CONECT   13   12   12   14   40                                       
CONECT   14   13   16    2    2                                       
CONECT   15   12                                                      
CONECT   16   14                                                      
CONECT   17    5    5                                                 
CONECT   18   21    6    6    7                                       
CONECT   19    7    7   20   41                                       
CONECT   20    8    8   19   22                                       
CONECT   21   18                                                      
CONECT   22   20   24   24   23                                       
CONECT   22   25   25                                                 
CONECT   23   26   22   42                                            
CONECT   24   22   22                                                 
CONECT   25   22   22                                                 
CONECT   26    9    9   29   23                                       
CONECT   27   10   10    9   43                                       
CONECT   28   10   29   29   44                                       
CONECT   29   28   28   26   45                                       
CONECT   30   11   10                                                 
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    4                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   19                                                      
CONECT   42   23                                                      
CONECT   43   27                                                      
CONECT   44   28                                                      
CONECT   45   29                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
