COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.437   4.476   0.011  1.00  0.00           O  
HETATM    2  C   UNL     1       0.680   4.061   0.210  1.00  0.00           C  
HETATM    3  OXT UNL     1       1.666   4.914   0.527  1.00  0.00           O  
HETATM    4  CA  UNL     1       0.964   2.584   0.110  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.268   1.872  -0.239  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.133   1.508   0.728  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.374   0.791   0.376  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.651   0.483  -0.959  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.808  -0.192  -1.283  1.00  0.00           C  
HETATM   10 CL   UNL     1      -4.152  -0.575  -2.941  1.00  0.00          Cl  
HETATM   11  C   UNL     1      -4.700  -0.566  -0.284  1.00  0.00           C  
HETATM   12  O   UNL     1      -5.838  -1.231  -0.607  1.00  0.00           O  
HETATM   13  C   UNL     1      -4.427  -0.262   1.045  1.00  0.00           C  
HETATM   14 CL   UNL     1      -5.544  -0.733   2.288  1.00  0.00          Cl  
HETATM   15  C   UNL     1      -3.273   0.413   1.377  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.892   1.771   1.890  1.00  0.00           O  
HETATM   17  C   UNL     1       2.018   2.340  -0.971  1.00  0.00           C  
HETATM   18  C   UNL     1       2.398   0.858  -0.988  1.00  0.00           C  
HETATM   19  C   UNL     1       3.371   0.557  -2.156  1.00  0.00           C  
HETATM   20  C   UNL     1       4.107  -0.714  -1.673  1.00  0.00           C  
HETATM   21  N   UNL     1       3.193   0.507   0.216  1.00  0.00           N  
HETATM   22  C   UNL     1       3.949  -0.713  -0.141  1.00  0.00           C  
HETATM   23  C   UNL     1       5.305  -0.688   0.516  1.00  0.00           C  
HETATM   24  O   UNL     1       5.944   0.479   0.690  1.00  0.00           O  
HETATM   25  O   UNL     1       5.817  -1.718   0.884  1.00  0.00           O  
HETATM   26  C   UNL     1       3.173  -1.955   0.304  1.00  0.00           C  
HETATM   27  O   UNL     1       3.146  -2.013   1.732  1.00  0.00           O  
HETATM   28  CA  UNL     1       1.742  -1.881  -0.231  1.00  0.00           C  
HETATM   29  N   UNL     1       1.761  -1.977  -1.696  1.00  0.00           N  
HETATM   30  C   UNL     1       0.934  -3.019   0.337  1.00  0.00           C  
HETATM   31  OXT UNL     1       0.438  -2.935   1.582  1.00  0.00           O  
HETATM   32  O   UNL     1       0.733  -4.008  -0.328  1.00  0.00           O  
HETATM   33  HXT UNL     1       1.434   5.851   0.584  1.00  0.00           H  
HETATM   34  HA  UNL     1       1.335   2.220   1.068  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.460   1.663  -1.166  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.959   0.774  -1.735  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.744  -2.193  -0.611  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.060   0.646   2.410  1.00  0.00           H  
HETATM   39  H   UNL     1       1.614   2.623  -1.943  1.00  0.00           H  
HETATM   40  H   UNL     1       2.903   2.940  -0.758  1.00  0.00           H  
HETATM   41  H   UNL     1       1.507   0.235  -1.059  1.00  0.00           H  
HETATM   42  H   UNL     1       2.821   0.357  -3.075  1.00  0.00           H  
HETATM   43  H   UNL     1       4.071   1.380  -2.297  1.00  0.00           H  
HETATM   44  H   UNL     1       3.645  -1.605  -2.100  1.00  0.00           H  
HETATM   45  H   UNL     1       5.161  -0.668  -1.946  1.00  0.00           H  
HETATM   46  H   UNL     1       2.593   0.342   1.010  1.00  0.00           H  
HETATM   47  H   UNL     1       6.812   0.445   1.116  1.00  0.00           H  
HETATM   48  H   UNL     1       3.662  -2.848  -0.087  1.00  0.00           H  
HETATM   49  H   UNL     1       2.713  -1.256   2.148  1.00  0.00           H  
HETATM   50  HA  UNL     1       1.292  -0.933   0.065  1.00  0.00           H  
HETATM   51  H1  UNL     1       2.057  -2.895  -1.995  1.00  0.00           H  
HETATM   52  H2  UNL     1       0.860  -1.743  -2.086  1.00  0.00           H  
HETATM   53  HXT UNL     1      -0.074  -3.690   1.902  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   33                                                 
CONECT    4    5   17    2   34                                       
CONECT    5    6    4   35                                            
CONECT    6    7    5   16   16                                       
CONECT    7    8    8   15    6                                       
CONECT    8    9    7    7   36                                       
CONECT    9   10   11   11    8                                       
CONECT   10    9                                                      
CONECT   11   12    9    9   13                                       
CONECT   12   11   37                                                 
CONECT   13   11   14   15   15                                       
CONECT   14   13                                                      
CONECT   15   13   13    7   38                                       
CONECT   16    6    6                                                 
CONECT   17   18    4   39   40                                       
CONECT   18   21   19   17   41                                       
CONECT   19   20   18   42   43                                       
CONECT   20   22   19   44   45                                       
CONECT   21   22   18   46                                            
CONECT   22   26   23   21   20                                       
CONECT   23   25   25   24   22                                       
CONECT   24   23   47                                                 
CONECT   25   23   23                                                 
CONECT   26   27   28   22   48                                       
CONECT   27   26   49                                                 
CONECT   28   29   30   26   50                                       
CONECT   29   28   51   52                                            
CONECT   30   32   32   28   31                                       
CONECT   31   30   53                                                 
CONECT   32   30   30                                                 
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    8                                                      
CONECT   37   12                                                      
CONECT   38   15                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   24                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
CONECT   53   31                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
