COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.588   4.841   1.085  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.541   3.787   0.831  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.906   2.571   0.265  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.945   1.600   0.030  1.00  0.00           C  
HETATM    5  C   UNL     1       0.387   1.848   0.363  1.00  0.00           C  
HETATM    6  C   UNL     1       0.742   3.073   0.932  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.221   4.035   1.156  1.00  0.00           C  
HETATM    8  C   UNL     1       1.418   0.818   0.117  1.00  0.00           C  
HETATM    9  O   UNL     1       1.123  -0.211  -0.461  1.00  0.00           O  
HETATM   10  N   UNL     1       2.684   1.018   0.533  1.00  0.00           N  
HETATM   11  C   UNL     1       3.680   0.090   0.214  1.00  0.00           C  
HETATM   12  C   UNL     1       3.376  -1.265   0.159  1.00  0.00           C  
HETATM   13  C   UNL     1       4.362  -2.180  -0.156  1.00  0.00           C  
HETATM   14  C   UNL     1       5.650  -1.748  -0.416  1.00  0.00           C  
HETATM   15  C   UNL     1       5.955  -0.401  -0.361  1.00  0.00           C  
HETATM   16  C   UNL     1       4.973   0.520  -0.052  1.00  0.00           C  
HETATM   17  C   UNL     1       7.360   0.064  -0.645  1.00  0.00           C  
HETATM   18  F   UNL     1       8.168  -1.040  -0.936  1.00  0.00           F  
HETATM   19  F   UNL     1       7.351   0.937  -1.739  1.00  0.00           F  
HETATM   20  F   UNL     1       7.867   0.729   0.477  1.00  0.00           F  
HETATM   21  N   UNL     1      -3.242   2.327  -0.067  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.712   1.028  -0.133  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.945   0.010   0.234  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.389  -1.242   0.173  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.605  -1.543  -0.251  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.444  -0.586  -0.639  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.018   0.757  -0.587  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.091   1.548  -1.049  1.00  0.00           C  
HETATM   29  N   UNL     1      -7.083   0.762  -1.355  1.00  0.00           N  
HETATM   30  N   UNL     1      -6.724  -0.569  -1.112  1.00  0.00           N  
HETATM   31  C   UNL     1      -7.572  -1.743  -1.334  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.488  -2.341   0.595  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.873  -3.671   0.443  1.00  0.00           C  
HETATM   34  N   UNL     1      -2.073  -4.648   0.817  1.00  0.00           N  
HETATM   35  C   UNL     1      -0.888  -4.413   1.346  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.433  -3.121   1.531  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.235  -2.059   1.148  1.00  0.00           C  
HETATM   38  H   UNL     1      -2.682   5.479   0.207  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.546   4.360   1.289  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.295   5.444   1.944  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.226   0.654  -0.409  1.00  0.00           H  
HETATM   42  H   UNL     1       1.772   3.269   1.191  1.00  0.00           H  
HETATM   43  H   UNL     1       0.057   4.984   1.591  1.00  0.00           H  
HETATM   44  H   UNL     1       2.904   1.807   1.052  1.00  0.00           H  
HETATM   45  H   UNL     1       2.371  -1.602   0.362  1.00  0.00           H  
HETATM   46  H   UNL     1       4.127  -3.233  -0.199  1.00  0.00           H  
HETATM   47  H   UNL     1       6.419  -2.466  -0.662  1.00  0.00           H  
HETATM   48  H   UNL     1       5.211   1.572  -0.014  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.840   3.069  -0.250  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.090   2.625  -1.133  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.424  -2.112  -2.348  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.307  -2.523  -0.620  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.618  -1.466  -1.197  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.837  -3.904   0.014  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.263  -5.244   1.640  1.00  0.00           H  
HETATM   56  H   UNL     1       0.539  -2.941   1.966  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.903  -1.040   1.277  1.00  0.00           H  
CONECT    1    2   38   39   40                                       
CONECT    2    1    3    3    7                                       
CONECT    3   21    2    2    4                                       
CONECT    4    3    5    5   41                                       
CONECT    5    4    4    6    8                                       
CONECT    6    7    7    5   42                                       
CONECT    7    2    6    6   43                                       
CONECT    8    5    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   44                                            
CONECT   11   10   16   16   12                                       
CONECT   12   11   13   13   45                                       
CONECT   13   12   12   14   46                                       
CONECT   14   15   15   13   47                                       
CONECT   15   16   17   14   14                                       
CONECT   16   11   11   15   48                                       
CONECT   17   20   18   19   15                                       
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20   17                                                      
CONECT   21   22    3   49                                            
CONECT   22   27   21   23   23                                       
CONECT   23   22   22   24                                            
CONECT   24   25   25   23   32                                       
CONECT   25   26   24   24                                            
CONECT   26   30   27   27   25                                       
CONECT   27   28   26   26   22                                       
CONECT   28   29   29   27   50                                       
CONECT   29   28   28   30                                            
CONECT   30   29   31   26                                            
CONECT   31   30   51   52   53                                       
CONECT   32   24   37   37   33                                       
CONECT   33   32   34   34   54                                       
CONECT   34   33   33   35                                            
CONECT   35   36   36   34   55                                       
CONECT   36   37   35   35   56                                       
CONECT   37   32   32   36   57                                       
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    4                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44   10                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   16                                                      
CONECT   49   21                                                      
CONECT   50   28                                                      
CONECT   51   31                                                      
CONECT   52   31                                                      
CONECT   53   31                                                      
CONECT   54   33                                                      
CONECT   55   35                                                      
CONECT   56   36                                                      
CONECT   57   37                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
