COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.611  -0.633   1.839  1.00  0.00           O  
HETATM    2  C   UNL     1       2.785   0.143   0.919  1.00  0.00           C  
HETATM    3  N   UNL     1       4.037   0.443   0.518  1.00  0.00           N  
HETATM    4  CA  UNL     1       5.187  -0.166   1.191  1.00  0.00           C  
HETATM    5  C   UNL     1       6.363  -0.192   0.250  1.00  0.00           C  
HETATM    6  C   UNL     1       7.194  -1.296   0.213  1.00  0.00           C  
HETATM    7  C   UNL     1       8.274  -1.320  -0.651  1.00  0.00           C  
HETATM    8 CL   UNL     1       9.319  -2.706  -0.698  1.00  0.00          Cl  
HETATM    9  C   UNL     1       8.521  -0.240  -1.479  1.00  0.00           C  
HETATM   10  C   UNL     1       7.689   0.863  -1.442  1.00  0.00           C  
HETATM   11  C   UNL     1       6.608   0.885  -0.582  1.00  0.00           C  
HETATM   12  C   UNL     1       5.545   0.654   2.432  1.00  0.00           C  
HETATM   13  O   UNL     1       5.985   1.954   2.033  1.00  0.00           O  
HETATM   14  CA  UNL     1       1.633   0.749   0.241  1.00  0.00           C  
HETATM   15  C   UNL     1       0.320   0.527   0.543  1.00  0.00           C  
HETATM   16  N   UNL     1       1.690   1.643  -0.804  1.00  0.00           N  
HETATM   17  C   UNL     1       0.436   1.979  -1.164  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.446   1.305  -0.349  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.925   1.384  -0.400  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.562   2.585  -0.726  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.760   3.824  -1.032  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.669   0.310  -0.141  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.990   0.378  -0.186  1.00  0.00           C  
HETATM   24  N   UNL     1      -4.619   1.505  -0.488  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.944   2.610  -0.761  1.00  0.00           C  
HETATM   26  N   UNL     1      -4.734  -0.758   0.088  1.00  0.00           N  
HETATM   27  C   UNL     1      -6.129  -0.678   0.167  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.905  -1.806  -0.072  1.00  0.00           C  
HETATM   29 CL   UNL     1      -6.146  -3.316  -0.468  1.00  0.00          Cl  
HETATM   30  C   UNL     1      -8.283  -1.724   0.006  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.889  -0.520   0.323  1.00  0.00           C  
HETATM   32  F   UNL     1     -10.236  -0.443   0.399  1.00  0.00           F  
HETATM   33  C   UNL     1      -8.117   0.604   0.561  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.740   0.527   0.489  1.00  0.00           C  
HETATM   35  H   UNL     1       4.176   1.062  -0.215  1.00  0.00           H  
HETATM   36  HA  UNL     1       4.936  -1.184   1.488  1.00  0.00           H  
HETATM   37  H   UNL     1       7.001  -2.139   0.860  1.00  0.00           H  
HETATM   38  H   UNL     1       9.364  -0.258  -2.154  1.00  0.00           H  
HETATM   39  H   UNL     1       7.880   1.706  -2.091  1.00  0.00           H  
HETATM   40  H   UNL     1       5.957   1.747  -0.553  1.00  0.00           H  
HETATM   41  H1  UNL     1       4.667   0.748   3.071  1.00  0.00           H  
HETATM   42  H2  UNL     1       6.342   0.153   2.981  1.00  0.00           H  
HETATM   43  H   UNL     1       6.229   2.530   2.771  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.060  -0.121   1.318  1.00  0.00           H  
HETATM   45  H   UNL     1       2.502   1.977  -1.215  1.00  0.00           H  
HETATM   46  H   UNL     1       0.169   2.663  -1.956  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.546   3.864  -2.100  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.330   4.707  -0.743  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.823   3.798  -0.475  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.467   3.522  -1.009  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.288  -1.608   0.225  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.887  -2.600  -0.179  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.592   1.542   0.808  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.139   1.404   0.676  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3   14    1    1                                       
CONECT    3    4    2   35                                            
CONECT    4   12    5    3   36                                       
CONECT    5   11    4    6    6                                       
CONECT    6    5    5    7   37                                       
CONECT    7    9    9    6    8                                       
CONECT    8    7                                                      
CONECT    9   10    7    7   38                                       
CONECT   10   11   11    9   39                                       
CONECT   11   10   10    5   40                                       
CONECT   12   13    4   41   42                                       
CONECT   13   12   43                                                 
CONECT   14   16    2   15   15                                       
CONECT   15   18   14   14   44                                       
CONECT   16   17   14   45                                            
CONECT   17   16   18   18   46                                       
CONECT   18   17   17   19   15                                       
CONECT   19   22   18   20   20                                       
CONECT   20   19   19   25   21                                       
CONECT   21   20   47   48   49                                       
CONECT   22   23   23   19                                            
CONECT   23   26   22   22   24                                       
CONECT   24   23   25   25                                            
CONECT   25   24   24   20   50                                       
CONECT   26   27   23   51                                            
CONECT   27   28   28   34   26                                       
CONECT   28   30   29   27   27                                       
CONECT   29   28                                                      
CONECT   30   31   31   28   52                                       
CONECT   31   32   30   30   33                                       
CONECT   32   31                                                      
CONECT   33   31   34   34   53                                       
CONECT   34   33   33   27   54                                       
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    6                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   30                                                      
CONECT   53   33                                                      
CONECT   54   34                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
