COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.544  -1.565  -2.007  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.023  -0.846  -1.176  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.855   0.068  -0.365  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.252   1.013   0.466  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.034   1.864   1.220  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.414   1.781   1.153  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.018   0.847   0.332  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.521   0.764   0.266  1.00  0.00           C  
HETATM    9  F   UNL     1      -6.944   1.001  -1.047  1.00  0.00           F  
HETATM   10  F   UNL     1      -6.936  -0.511   0.666  1.00  0.00           F  
HETATM   11  F   UNL     1      -7.079   1.724   1.116  1.00  0.00           F  
HETATM   12  C   UNL     1      -4.247  -0.006  -0.432  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.689  -0.885  -0.991  1.00  0.00           N  
HETATM   14  C   UNL     1       0.180  -1.783  -1.617  1.00  0.00           C  
HETATM   15  C   UNL     1       1.494  -1.578  -1.227  1.00  0.00           C  
HETATM   16  C   UNL     1       2.507  -2.367  -1.736  1.00  0.00           C  
HETATM   17  C   UNL     1       2.218  -3.370  -2.643  1.00  0.00           C  
HETATM   18  C   UNL     1       0.910  -3.582  -3.039  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.105  -2.798  -2.533  1.00  0.00           C  
HETATM   20  C   UNL     1       1.530  -0.433  -0.240  1.00  0.00           C  
HETATM   21  C   UNL     1       2.372   0.696  -0.776  1.00  0.00           C  
HETATM   22  N   UNL     1       2.943   1.573   0.073  1.00  0.00           N  
HETATM   23  C   UNL     1       3.719   2.614  -0.421  1.00  0.00           C  
HETATM   24  N   UNL     1       3.987   2.868  -1.722  1.00  0.00           N  
HETATM   25  N   UNL     1       4.803   4.013  -1.714  1.00  0.00           N  
HETATM   26  N   UNL     1       4.962   4.349  -0.479  1.00  0.00           N  
HETATM   27  N   UNL     1       4.326   3.538   0.288  1.00  0.00           N  
HETATM   28  O   UNL     1       2.536   0.816  -1.972  1.00  0.00           O  
HETATM   29  N   UNL     1       2.049  -0.887   1.052  1.00  0.00           N  
HETATM   30  C   UNL     1       1.282  -0.955   2.306  1.00  0.00           C  
HETATM   31  C   UNL     1       2.300  -1.494   3.329  1.00  0.00           C  
HETATM   32  C   UNL     1       2.519  -0.479   4.453  1.00  0.00           C  
HETATM   33  C   UNL     1       1.828  -2.832   3.901  1.00  0.00           C  
HETATM   34  O   UNL     1       3.520  -1.671   2.553  1.00  0.00           O  
HETATM   35  C   UNL     1       3.297  -1.315   1.283  1.00  0.00           C  
HETATM   36  O   UNL     1       4.150  -1.370   0.420  1.00  0.00           O  
HETATM   37  C   UNL     1       0.064   0.011  -0.109  1.00  0.00           C  
HETATM   38  H   UNL     1      -1.175   1.079   0.520  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.568   2.595   1.864  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.021   2.446   1.750  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.720  -0.735  -1.074  1.00  0.00           H  
HETATM   42  H   UNL     1       3.528  -2.200  -1.426  1.00  0.00           H  
HETATM   43  H   UNL     1       3.011  -3.986  -3.041  1.00  0.00           H  
HETATM   44  H   UNL     1       0.682  -4.366  -3.747  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.124  -2.969  -2.847  1.00  0.00           H  
HETATM   46  H   UNL     1       2.811   1.478   1.030  1.00  0.00           H  
HETATM   47  H   UNL     1       3.681   2.369  -2.495  1.00  0.00           H  
HETATM   48  H   UNL     1       0.936   0.037   2.596  1.00  0.00           H  
HETATM   49  H   UNL     1       0.442  -1.641   2.204  1.00  0.00           H  
HETATM   50  H   UNL     1       1.573  -0.289   4.961  1.00  0.00           H  
HETATM   51  H   UNL     1       3.241  -0.877   5.167  1.00  0.00           H  
HETATM   52  H   UNL     1       2.899   0.452   4.033  1.00  0.00           H  
HETATM   53  H   UNL     1       1.722  -3.555   3.093  1.00  0.00           H  
HETATM   54  H   UNL     1       2.560  -3.197   4.622  1.00  0.00           H  
HETATM   55  H   UNL     1       0.866  -2.697   4.396  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.051   1.045  -0.434  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.273  -0.102   0.921  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1   13                                       
CONECT    3   12   12    4    2                                       
CONECT    4    5    5    3   38                                       
CONECT    5    6    4    4   39                                       
CONECT    6    7    7    5   40                                       
CONECT    7    8    6    6   12                                       
CONECT    8   10   11    9    7                                       
CONECT    9    8                                                      
CONECT   10    8                                                      
CONECT   11    8                                                      
CONECT   12    7    3    3   41                                       
CONECT   13    2   37   14                                            
CONECT   14   13   19   15   15                                       
CONECT   15   14   14   20   16                                       
CONECT   16   15   17   17   42                                       
CONECT   17   18   16   16   43                                       
CONECT   18   19   19   17   44                                       
CONECT   19   18   18   14   45                                       
CONECT   20   37   21   15   29                                       
CONECT   21   28   28   22   20                                       
CONECT   22   23   21   46                                            
CONECT   23   27   27   24   22                                       
CONECT   24   25   23   47                                            
CONECT   25   26   26   24                                            
CONECT   26   27   25   25                                            
CONECT   27   26   23   23                                            
CONECT   28   21   21                                                 
CONECT   29   20   35   30                                            
CONECT   30   29   31   48   49                                       
CONECT   31   30   34   33   32                                       
CONECT   32   31   50   51   52                                       
CONECT   33   31   53   54   55                                       
CONECT   34   35   31                                                 
CONECT   35   36   36   29   34                                       
CONECT   36   35   35                                                 
CONECT   37   13   20   56   57                                       
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41   12                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
CONECT   48   30                                                      
CONECT   49   30                                                      
CONECT   50   32                                                      
CONECT   51   32                                                      
CONECT   52   32                                                      
CONECT   53   33                                                      
CONECT   54   33                                                      
CONECT   55   33                                                      
CONECT   56   37                                                      
CONECT   57   37                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
