COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.976  -3.376  -0.272  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.972  -2.253  -0.142  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.329  -2.493  -0.259  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.179  -1.485  -0.140  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.747  -0.253   0.090  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.670   0.774   0.208  1.00  0.00           N  
HETATM    7  C   UNL     1      -6.039   0.487   0.215  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.483  -0.777   0.579  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.835  -1.058   0.586  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.747  -0.081   0.231  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.309   1.179  -0.133  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.958   1.469  -0.136  1.00  0.00           C  
HETATM   13 CL   UNL     1      -6.409   3.051  -0.591  1.00  0.00          Cl  
HETATM   14  N   UNL     1      -2.458   0.022   0.209  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.547  -0.944   0.105  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.104  -0.635   0.239  1.00  0.00           C  
HETATM   17  C   UNL     1       0.470   0.195   1.177  1.00  0.00           C  
HETATM   18  N   UNL     1       1.801   0.216   0.969  1.00  0.00           N  
HETATM   19  CA  UNL     1       2.102  -0.597  -0.101  1.00  0.00           C  
HETATM   20  C   UNL     1       0.938  -1.140  -0.565  1.00  0.00           C  
HETATM   21  C   UNL     1       3.443  -0.844  -0.643  1.00  0.00           C  
HETATM   22  O   UNL     1       3.586  -1.586  -1.597  1.00  0.00           O  
HETATM   23  N   UNL     1       4.515  -0.248  -0.086  1.00  0.00           N  
HETATM   24  CA  UNL     1       5.854  -0.494  -0.627  1.00  0.00           C  
HETATM   25  C   UNL     1       6.427  -1.772  -0.011  1.00  0.00           C  
HETATM   26  O   UNL     1       6.616  -1.581   1.392  1.00  0.00           O  
HETATM   27  C   UNL     1       6.752   0.670  -0.295  1.00  0.00           C  
HETATM   28  C   UNL     1       6.675   1.270   0.948  1.00  0.00           C  
HETATM   29  C   UNL     1       7.499   2.337   1.253  1.00  0.00           C  
HETATM   30  C   UNL     1       8.400   2.805   0.314  1.00  0.00           C  
HETATM   31  C   UNL     1       8.477   2.205  -0.929  1.00  0.00           C  
HETATM   32  C   UNL     1       7.656   1.134  -1.232  1.00  0.00           C  
HETATM   33  H   UNL     1      -0.605  -3.416  -1.296  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.144  -3.204   0.410  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.460  -4.321  -0.024  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.692  -3.493  -0.446  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.366   1.692   0.285  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.771  -1.541   0.856  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.181  -2.041   0.868  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.804  -0.303   0.237  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.025   1.940  -0.410  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.057   0.738   1.947  1.00  0.00           H  
HETATM   43  H   UNL     1       0.835  -1.824  -1.394  1.00  0.00           H  
HETATM   44  H   UNL     1       4.401   0.343   0.675  1.00  0.00           H  
HETATM   45  HA  UNL     1       5.793  -0.608  -1.710  1.00  0.00           H  
HETATM   46  H1  UNL     1       5.734  -2.597  -0.175  1.00  0.00           H  
HETATM   47  H2  UNL     1       7.384  -2.003  -0.479  1.00  0.00           H  
HETATM   48  H   UNL     1       6.978  -2.353   1.849  1.00  0.00           H  
HETATM   49  H   UNL     1       5.971   0.904   1.681  1.00  0.00           H  
HETATM   50  H   UNL     1       7.438   2.806   2.224  1.00  0.00           H  
HETATM   51  H   UNL     1       9.043   3.639   0.552  1.00  0.00           H  
HETATM   52  H   UNL     1       9.180   2.571  -1.662  1.00  0.00           H  
HETATM   53  H   UNL     1       7.720   0.663  -2.202  1.00  0.00           H  
HETATM   54  H   UNL     1       2.444   0.722   1.490  1.00  0.00           H  
CONECT    1    2   33   34   35                                       
CONECT    2    1   15   15    3                                       
CONECT    3    2    4    4   36                                       
CONECT    4    3    3    5                                            
CONECT    5    4    6   14   14                                       
CONECT    6    5    7   37                                            
CONECT    7    6    8    8   12                                       
CONECT    8    7    7    9   38                                       
CONECT    9    8   10   10   39                                       
CONECT   10    9    9   11   40                                       
CONECT   11   10   12   12   41                                       
CONECT   12    7   11   11   13                                       
CONECT   13   12                                                      
CONECT   14    5    5   15                                            
CONECT   15    2    2   14   16                                       
CONECT   16   15   17   17   20                                       
CONECT   17   16   16   18   42                                       
CONECT   18   17   19   54                                            
CONECT   19   18   21   20   20                                       
CONECT   20   16   19   19   43                                       
CONECT   21   19   23   22   22                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   44                                            
CONECT   24   23   25   27   45                                       
CONECT   25   24   26   46   47                                       
CONECT   26   25   48                                                 
CONECT   27   24   32   32   28                                       
CONECT   28   27   29   29   49                                       
CONECT   29   28   28   30   50                                       
CONECT   30   29   31   31   51                                       
CONECT   31   30   30   32   52                                       
CONECT   32   27   27   31   53                                       
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    3                                                      
CONECT   37    6                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   17                                                      
CONECT   43   20                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   31                                                      
CONECT   53   32                                                      
CONECT   54   18                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
