COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.119  -0.478   1.111  1.00  0.00           C  
HETATM    2  C   UNL     1       0.731  -1.089  -0.005  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.072  -1.578  -1.013  1.00  0.00           C  
HETATM    4  O   UNL     1       0.794  -0.032   2.025  1.00  0.00           O  
HETATM    5  C   UNL     1      -6.879   1.309  -0.885  1.00  0.00           C  
HETATM    6  C   UNL     1       3.005   0.456  -0.225  1.00  0.00           C  
HETATM    7  C   UNL     1       2.068   1.480  -0.353  1.00  0.00           C  
HETATM    8  C   UNL     1       2.525   2.784  -0.437  1.00  0.00           C  
HETATM    9  C   UNL     1       3.886   3.026  -0.390  1.00  0.00           C  
HETATM   10  C   UNL     1       4.356   0.780  -0.186  1.00  0.00           C  
HETATM   11  C   UNL     1       5.382  -0.314  -0.042  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.694  -0.805   0.433  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.966  -0.887   0.115  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.165  -1.423  -0.873  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.112  -0.365  -1.449  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.908   0.276  -0.310  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.946   0.966   0.661  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.997  -0.076   1.260  1.00  0.00           C  
HETATM   19  F   UNL     1       6.502   0.183   0.634  1.00  0.00           F  
HETATM   20  F   UNL     1       4.832  -1.376   0.684  1.00  0.00           F  
HETATM   21  F   UNL     1       5.765  -0.765  -1.310  1.00  0.00           F  
HETATM   22  N   UNL     1      -1.228  -0.391   1.145  1.00  0.00           N  
HETATM   23  N   UNL     1      -1.397  -1.467  -0.920  1.00  0.00           N  
HETATM   24  N   UNL     1      -3.335  -0.798   0.166  1.00  0.00           N  
HETATM   25  N   UNL     1      -7.644   1.923   0.208  1.00  0.00           N  
HETATM   26  N   UNL     1       4.748   2.036  -0.269  1.00  0.00           N  
HETATM   27  S   UNL     1       2.485  -1.224  -0.107  1.00  0.00           S  
HETATM   28  H   UNL     1       0.373  -2.049  -1.877  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.319   2.079  -1.415  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.564   0.817  -1.576  1.00  0.00           H  
HETATM   31  H   UNL     1       1.010   1.261  -0.387  1.00  0.00           H  
HETATM   32  H   UNL     1       1.828   3.602  -0.537  1.00  0.00           H  
HETATM   33  H   UNL     1       4.248   4.042  -0.456  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.002  -1.541   0.843  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.261  -0.349   1.245  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.380  -1.296  -0.257  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.746  -2.235  -0.438  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.528  -1.814  -1.667  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.532   0.401  -1.964  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.798  -0.836  -2.153  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.368   1.719   0.126  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.515   1.442   1.459  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.249   0.422   1.876  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.565  -0.779   1.870  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.028   2.330   0.896  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.293   2.610  -0.146  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.668   0.033   1.898  1.00  0.00           H  
CONECT    1   22    4    4    2                                       
CONECT    2    1    3    3   27                                       
CONECT    3   23    2    2   28                                       
CONECT    4    1    1                                                 
CONECT    5   16   25   29   30                                       
CONECT    6    7   10   10   27                                       
CONECT    7    8    8    6   31                                       
CONECT    8    7    7    9   32                                       
CONECT    9    8   26   26   33                                       
CONECT   10   26    6    6   11                                       
CONECT   11   10   21   19   20                                       
CONECT   12   16   34   35   36                                       
CONECT   13   24   22   23   23                                       
CONECT   14   24   15   37   38                                       
CONECT   15   14   16   39   40                                       
CONECT   16   12   17   15    5                                       
CONECT   17   18   16   41   42                                       
CONECT   18   24   17   43   44                                       
CONECT   19   11                                                      
CONECT   20   11                                                      
CONECT   21   11                                                      
CONECT   22   13    1   47                                            
CONECT   23   13   13    3                                            
CONECT   24   18   14   13                                            
CONECT   25    5   45   46                                            
CONECT   26    9    9   10                                            
CONECT   27    2    6                                                 
CONECT   28    3                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   22                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
