COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.754   2.182   0.680  1.00  0.00           C  
HETATM    2  C   UNL     1       5.469   3.695   0.611  1.00  0.00           C  
HETATM    3  C   UNL     1       4.458   1.384   0.525  1.00  0.00           C  
HETATM    4  C   UNL     1       3.687  -0.864   0.553  1.00  0.00           C  
HETATM    5  C   UNL     1       3.895  -2.239   0.679  1.00  0.00           C  
HETATM    6  C   UNL     1       2.420  -0.365   0.321  1.00  0.00           C  
HETATM    7  C   UNL     1       1.342  -1.238   0.213  1.00  0.00           C  
HETATM    8  C   UNL     1       1.557  -2.625   0.341  1.00  0.00           C  
HETATM    9  C   UNL     1       2.851  -3.110   0.575  1.00  0.00           C  
HETATM   10  CA  UNL     1      -0.628  -2.282  -0.023  1.00  0.00           C  
HETATM   11  C   UNL     1       0.299  -3.254   0.188  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.065  -2.506  -0.230  1.00  0.00           C  
HETATM   13  CA  UNL     1      -4.322  -1.680  -0.636  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.086  -0.447  -0.230  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.285  -0.572   0.449  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.990   0.553   0.824  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.490   1.821   0.516  1.00  0.00           C  
HETATM   18  O   UNL     1      -8.292   2.923   1.511  1.00  0.00           O  
HETATM   19  C   UNL     1      -7.239   3.030   0.915  1.00  0.00           C  
HETATM   20  O   UNL     1      -6.754   4.251   0.617  1.00  0.00           O  
HETATM   21  C   UNL     1      -5.279   1.939  -0.169  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.582   0.806  -0.533  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.583  -1.979  -2.114  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.263  -0.827  -2.896  1.00  0.00           O  
HETATM   25  N   UNL     1      -2.889  -1.457  -0.429  1.00  0.00           N  
HETATM   26  O   UNL     1      -2.512  -3.637  -0.222  1.00  0.00           O  
HETATM   27 CL   UNL     1       5.496  -2.844   0.970  1.00  0.00          Cl  
HETATM   28  N   UNL     1      -0.002  -1.049  -0.009  1.00  0.00           N  
HETATM   29  O   UNL     1       4.738  -0.010   0.664  1.00  0.00           O  
HETATM   30  N   UNL     1       6.235   4.142  -0.563  1.00  0.00           N  
HETATM   31  O   UNL     1       6.643   1.936  -0.448  1.00  0.00           O  
HETATM   32  C   UNL     1       6.865   3.087  -1.098  1.00  0.00           C  
HETATM   33  O   UNL     1       7.573   3.167  -2.082  1.00  0.00           O  
HETATM   34  H   UNL     1       6.248   1.929   1.618  1.00  0.00           H  
HETATM   35  H   UNL     1       4.404   3.877   0.465  1.00  0.00           H  
HETATM   36  H   UNL     1       5.822   4.193   1.514  1.00  0.00           H  
HETATM   37  H   UNL     1       3.749   1.691   1.294  1.00  0.00           H  
HETATM   38  H   UNL     1       4.031   1.572  -0.460  1.00  0.00           H  
HETATM   39  H   UNL     1       2.266   0.700   0.225  1.00  0.00           H  
HETATM   40  H   UNL     1       3.021  -4.172   0.674  1.00  0.00           H  
HETATM   41  H   UNL     1       0.108  -4.316   0.231  1.00  0.00           H  
HETATM   42  HA  UNL     1      -4.649  -2.526  -0.031  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.671  -1.553   0.685  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.926   0.454   1.353  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.280   5.012   0.899  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.888   2.917  -0.410  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.643   0.897  -1.058  1.00  0.00           H  
HETATM   48  H1  UNL     1      -3.963  -2.817  -2.431  1.00  0.00           H  
HETATM   49  H2  UNL     1      -5.634  -2.232  -2.253  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.405  -0.945  -3.846  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.532  -0.555  -0.436  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.439  -0.192  -0.136  1.00  0.00           H  
HETATM   53  H   UNL     1       6.277   5.052  -0.896  1.00  0.00           H  
CONECT    1    2   31    3   34                                       
CONECT    2   30    1   35   36                                       
CONECT    3    1   29   37   38                                       
CONECT    4   29    6    6    5                                       
CONECT    5    4   27    9    9                                       
CONECT    6    4    4    7   39                                       
CONECT    7    6   28    8    8                                       
CONECT    8    7    7    9   11                                       
CONECT    9    5    5    8   40                                       
CONECT   10   28   12   11   11                                       
CONECT   11    8   10   10   41                                       
CONECT   12   26   26   10   25                                       
CONECT   13   25   14   23   42                                       
CONECT   14   13   22   22   15                                       
CONECT   15   14   16   16   43                                       
CONECT   16   15   15   17   44                                       
CONECT   17   21   21   16   19                                       
CONECT   18   19   19                                                 
CONECT   19   17   18   18   20                                       
CONECT   20   19   45                                                 
CONECT   21   22   17   17   46                                       
CONECT   22   14   14   21   47                                       
CONECT   23   13   24   48   49                                       
CONECT   24   23   50                                                 
CONECT   25   12   13   51                                            
CONECT   26   12   12                                                 
CONECT   27    5                                                      
CONECT   28    7   10   52                                            
CONECT   29    3    4                                                 
CONECT   30   32    2   53                                            
CONECT   31   32    1                                                 
CONECT   32   33   33   30   31                                       
CONECT   33   32   32                                                 
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    6                                                      
CONECT   40    9                                                      
CONECT   41   11                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   28                                                      
CONECT   53   30                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
