COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.442  -1.196   0.012  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.766  -1.730   0.049  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.476  -3.001  -0.634  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.152  -1.370   0.411  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.090   1.035  -0.140  1.00  0.00           C  
HETATM    6  C   UNL     1       2.778  -0.598   0.149  1.00  0.00           C  
HETATM    7  C   UNL     1       3.762   0.316   0.473  1.00  0.00           C  
HETATM    8  C   UNL     1       3.418   1.550   0.992  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.192   2.215   0.589  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.574   3.364   0.131  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.752   2.167  -1.778  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.122  -3.272  -0.946  1.00  0.00           C  
HETATM   13  C   UNL     1       0.804  -2.340  -0.610  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.770  -0.916   0.322  1.00  0.00           N  
HETATM   15  O   UNL     1      -2.366  -3.788  -0.919  1.00  0.00           O  
HETATM   16  N   UNL     1      -3.720  -0.130   0.319  1.00  0.00           N  
HETATM   17  N   UNL     1      -5.044  -0.233   0.763  1.00  0.00           N  
HETATM   18  C   UNL     1      -5.276  -1.473   1.111  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.118  -2.222   0.901  1.00  0.00           C  
HETATM   20  C   UNL     1       1.441  -0.273   0.340  1.00  0.00           C  
HETATM   21  S   UNL     1       5.458  -0.092   0.225  1.00  0.00           S  
HETATM   22  C   UNL     1       1.099   0.970   0.857  1.00  0.00           C  
HETATM   23  C   UNL     1       2.088   1.875   1.188  1.00  0.00           C  
HETATM   24  O   UNL     1       6.153   0.708   1.171  1.00  0.00           O  
HETATM   25  O   UNL     1       5.492  -1.511   0.300  1.00  0.00           O  
HETATM   26  C   UNL     1       5.815   0.464  -1.464  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.368   1.014  -1.326  1.00  0.00           C  
HETATM   28  F   UNL     1      -3.894   2.238   1.743  1.00  0.00           F  
HETATM   29  C   UNL     1      -1.856   3.341  -1.051  1.00  0.00           C  
HETATM   30  F   UNL     1      -1.050   2.148  -2.932  1.00  0.00           F  
HETATM   31  H   UNL     1       3.048  -1.561  -0.257  1.00  0.00           H  
HETATM   32  H   UNL     1       4.189   2.263   1.245  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.652   4.281   0.696  1.00  0.00           H  
HETATM   34  H   UNL     1       0.163  -4.188  -1.443  1.00  0.00           H  
HETATM   35  H   UNL     1       1.845  -2.514  -0.844  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.212  -1.855   1.493  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.999  -3.278   1.090  1.00  0.00           H  
HETATM   38  H   UNL     1       0.060   1.226   1.006  1.00  0.00           H  
HETATM   39  H   UNL     1       1.822   2.841   1.591  1.00  0.00           H  
HETATM   40  H   UNL     1       5.640   1.537  -1.538  1.00  0.00           H  
HETATM   41  H   UNL     1       6.856   0.248  -1.706  1.00  0.00           H  
HETATM   42  H   UNL     1       5.165  -0.059  -2.165  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.287   0.099  -1.893  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.375   4.240  -1.406  1.00  0.00           H  
CONECT    1   13   14   20                                            
CONECT    2   14   14    3    4                                       
CONECT    3   12    2   15   15                                       
CONECT    4    2   16   19   19                                       
CONECT    5   16    9    9   27                                       
CONECT    6   20   20    7   31                                       
CONECT    7    6   21    8    8                                       
CONECT    8    7    7   23   32                                       
CONECT    9    5    5   10   28                                       
CONECT   10    9   29   29   33                                       
CONECT   11   27   27   30   29                                       
CONECT   12   13   13    3   34                                       
CONECT   13   12   12    1   35                                       
CONECT   14    1    2    2                                            
CONECT   15    3    3                                                 
CONECT   16    4   17    5                                            
CONECT   17   16   18   18                                            
CONECT   18   17   17   19   36                                       
CONECT   19    4    4   18   37                                       
CONECT   20    1    6    6   22                                       
CONECT   21    7   24   24   25                                       
CONECT   21   25   26                                                 
CONECT   22   20   23   23   38                                       
CONECT   23   22   22    8   39                                       
CONECT   24   21   21                                                 
CONECT   25   21   21                                                 
CONECT   26   21   40   41   42                                       
CONECT   27    5   11   11   43                                       
CONECT   28    9                                                      
CONECT   29   10   10   11   44                                       
CONECT   30   11                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33   10                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   22                                                      
CONECT   39   23                                                      
CONECT   40   26                                                      
CONECT   41   26                                                      
CONECT   42   26                                                      
CONECT   43   27                                                      
CONECT   44   29                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
