COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.992  -0.539   0.071  1.00  0.00           C  
HETATM    2  C   UNL     1       0.531  -0.769   0.014  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.147  -1.247   1.137  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.509  -1.459   1.079  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.204  -1.199  -0.088  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.691  -1.434  -0.144  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.737  -0.110  -0.134  1.00  0.00           C  
HETATM    8  C   UNL     1       7.153   1.711  -1.187  1.00  0.00           C  
HETATM    9  C   UNL     1       6.450   1.252   0.092  1.00  0.00           C  
HETATM   10  C   UNL     1       7.018   2.017   1.288  1.00  0.00           C  
HETATM   11  C   UNL     1       4.972   1.524  -0.023  1.00  0.00           C  
HETATM   12  C   UNL     1       4.060   0.474   0.058  1.00  0.00           C  
HETATM   13  CA  UNL     1       2.975  -1.498   0.243  1.00  0.00           C  
HETATM   14  C   UNL     1       2.742  -2.935   0.407  1.00  0.00           C  
HETATM   15  CA  UNL     1      -6.457   1.213  -0.086  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.521   1.706   1.361  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.538  -0.724  -1.207  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.175  -0.503  -1.160  1.00  0.00           C  
HETATM   19  C   UNL     1       2.684   0.749  -0.051  1.00  0.00           C  
HETATM   20  C   UNL     1       2.248   2.063  -0.237  1.00  0.00           C  
HETATM   21  C   UNL     1       3.160   3.077  -0.313  1.00  0.00           C  
HETATM   22  C   UNL     1       4.519   2.811  -0.207  1.00  0.00           C  
HETATM   23  F   UNL     1      -2.223  -0.472  -2.344  1.00  0.00           F  
HETATM   24  N   UNL     1       4.209  -0.882   0.234  1.00  0.00           N  
HETATM   25  N   UNL     1      -4.391  -0.147  -0.097  1.00  0.00           N  
HETATM   26  N   UNL     1      -7.819   1.049  -0.609  1.00  0.00           N  
HETATM   27  OXT UNL     1       3.787  -3.774   0.568  1.00  0.00           O  
HETATM   28  O   UNL     1       1.607  -3.372   0.399  1.00  0.00           O  
HETATM   29  O   UNL     1      -6.371  -1.142  -0.207  1.00  0.00           O  
HETATM   30  O   UNL     1      -7.098   3.013   1.394  1.00  0.00           O  
HETATM   31  H   UNL     1       0.394  -1.450   2.049  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.034  -1.829   1.947  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.944  -1.951  -1.070  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.995  -2.043   0.707  1.00  0.00           H  
HETATM   35  H   UNL     1       6.748   1.166  -2.040  1.00  0.00           H  
HETATM   36  H   UNL     1       6.990   2.779  -1.329  1.00  0.00           H  
HETATM   37  H   UNL     1       8.222   1.514  -1.105  1.00  0.00           H  
HETATM   38  H   UNL     1       6.613   0.184   0.233  1.00  0.00           H  
HETATM   39  H   UNL     1       6.855   3.086   1.147  1.00  0.00           H  
HETATM   40  H   UNL     1       6.517   1.691   2.200  1.00  0.00           H  
HETATM   41  H   UNL     1       8.087   1.820   1.371  1.00  0.00           H  
HETATM   42  HA  UNL     1      -5.919   1.941  -0.694  1.00  0.00           H  
HETATM   43  H1  UNL     1      -7.133   1.024   1.950  1.00  0.00           H  
HETATM   44  H2  UNL     1      -5.515   1.743   1.778  1.00  0.00           H  
HETATM   45  H   UNL     1       0.344  -0.132  -2.031  1.00  0.00           H  
HETATM   46  H   UNL     1       1.193   2.276  -0.321  1.00  0.00           H  
HETATM   47  H   UNL     1       2.822   4.092  -0.458  1.00  0.00           H  
HETATM   48  H   UNL     1       5.229   3.623  -0.269  1.00  0.00           H  
HETATM   49  H   UNL     1       5.059  -1.339   0.336  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.884   0.678  -0.039  1.00  0.00           H  
HETATM   51  H1  UNL     1      -7.804   0.786  -1.583  1.00  0.00           H  
HETATM   52  H2  UNL     1      -8.338   0.379  -0.062  1.00  0.00           H  
HETATM   53  HXT UNL     1       3.535  -4.702   0.669  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.171   3.389   2.282  1.00  0.00           H  
CONECT    1    2   13   13   19                                       
CONECT    2    3    3   18    1                                       
CONECT    3    4    2    2   31                                       
CONECT    4    5    5    3   32                                       
CONECT    5    6    4    4   17                                       
CONECT    6   25    5   33   34                                       
CONECT    7   29   29   25   15                                       
CONECT    8    9   35   36   37                                       
CONECT    9   11    8   10   38                                       
CONECT   10    9   39   40   41                                       
CONECT   11   12   12   22    9                                       
CONECT   12   19   24   11   11                                       
CONECT   13   14    1    1   24                                       
CONECT   14   28   28   27   13                                       
CONECT   15   16    7   26   42                                       
CONECT   16   30   15   43   44                                       
CONECT   17    5   23   18   18                                       
CONECT   18   17   17    2   45                                       
CONECT   19    1   20   20   12                                       
CONECT   20   19   19   21   46                                       
CONECT   21   20   22   22   47                                       
CONECT   22   21   21   11   48                                       
CONECT   23   17                                                      
CONECT   24   13   12   49                                            
CONECT   25    7    6   50                                            
CONECT   26   15   51   52                                            
CONECT   27   14   53                                                 
CONECT   28   14   14                                                 
CONECT   29    7    7                                                 
CONECT   30   16   54                                                 
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   18                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
