COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.729   0.528   0.103  1.00  0.00           C  
HETATM    2  N   UNL     1       0.934   1.730   1.210  1.00  0.00           N  
HETATM    3  O   UNL     1       2.773   1.291  -0.839  1.00  0.00           O  
HETATM    4  C   UNL     1       1.462   0.397   0.908  1.00  0.00           C  
HETATM    5  C   UNL     1       5.538   1.451  -0.079  1.00  0.00           C  
HETATM    6  C   UNL     1       4.881  -0.265  -1.772  1.00  0.00           C  
HETATM    7  C   UNL     1       6.137  -0.948   0.276  1.00  0.00           C  
HETATM    8  O   UNL     1       1.046   3.921   0.882  1.00  0.00           O  
HETATM    9  O   UNL     1      -0.554   2.411  -0.658  1.00  0.00           O  
HETATM   10  OXT UNL     1       0.020   1.724  -2.692  1.00  0.00           O  
HETATM   11 CL   UNL     1      -5.411   1.564  -0.739  1.00  0.00          Cl  
HETATM   12 CL   UNL     1      -1.591  -5.911   0.089  1.00  0.00          Cl  
HETATM   13  C   UNL     1       1.459   2.815   0.607  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.312   0.507   0.607  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.275   2.881   0.279  1.00  0.00           C  
HETATM   16  C   UNL     1       0.040  -3.997   1.095  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.104   0.581   1.274  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.064   2.952   0.941  1.00  0.00           C  
HETATM   19  C   UNL     1       0.563  -2.739   1.167  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.404  -3.341  -0.713  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.163   1.883   2.169  1.00  0.00           C  
HETATM   22  N   UNL     1       3.812  -0.206   0.427  1.00  0.00           N  
HETATM   23  N   UNL     1      -1.137  -0.905  -1.376  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.295   1.485  -1.403  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.897   1.657   0.106  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.942  -4.302   0.159  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.480   1.803   1.441  1.00  0.00           C  
HETATM   28  CA  UNL     1      -0.325   0.106  -0.898  1.00  0.00           C  
HETATM   29  C   UNL     1       0.442  -0.379   0.115  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.886  -2.051  -0.659  1.00  0.00           C  
HETATM   31  C   UNL     1       0.109  -1.744   0.291  1.00  0.00           C  
HETATM   32  C   UNL     1       5.078   0.006  -0.279  1.00  0.00           C  
HETATM   33  H   UNL     1       1.675  -0.130   1.838  1.00  0.00           H  
HETATM   34  H   UNL     1       4.783   2.131  -0.475  1.00  0.00           H  
HETATM   35  H   UNL     1       5.679   1.644   0.984  1.00  0.00           H  
HETATM   36  H   UNL     1       6.480   1.609  -0.605  1.00  0.00           H  
HETATM   37  H   UNL     1       5.823  -0.108  -2.298  1.00  0.00           H  
HETATM   38  H   UNL     1       4.553  -1.295  -1.914  1.00  0.00           H  
HETATM   39  H   UNL     1       4.126   0.415  -2.168  1.00  0.00           H  
HETATM   40  H   UNL     1       6.278  -0.755   1.340  1.00  0.00           H  
HETATM   41  H   UNL     1       5.810  -1.978   0.134  1.00  0.00           H  
HETATM   42  H   UNL     1       7.080  -0.791  -0.249  1.00  0.00           H  
HETATM   43  HXT UNL     1       0.027   2.648  -2.978  1.00  0.00           H  
HETATM   44  H   UNL     1       2.248   2.699  -0.122  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.798  -0.448   0.473  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.731   3.778  -0.112  1.00  0.00           H  
HETATM   47  H   UNL     1       0.394  -4.763   1.768  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.648  -0.316   1.666  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.574   3.906   1.068  1.00  0.00           H  
HETATM   50  H   UNL     1       1.325  -2.510   1.897  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.167  -3.588  -1.437  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.110   1.088   2.912  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.079   2.850   2.664  1.00  0.00           H  
HETATM   54  H   UNL     1       3.753  -0.874   1.127  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.778  -0.820  -2.099  1.00  0.00           H  
CONECT    1    3    3   22    4                                       
CONECT    2   21    4   13                                            
CONECT    3    1    1                                                 
CONECT    4    1    2   29   33                                       
CONECT    5   32   34   35   36                                       
CONECT    6   32   37   38   39                                       
CONECT    7   32   40   41   42                                       
CONECT    8   13   13                                                 
CONECT    9   24   24                                                 
CONECT   10   24   43                                                 
CONECT   11   25                                                      
CONECT   12   26                                                      
CONECT   13    2    8    8   44                                       
CONECT   14   17   17   25   45                                       
CONECT   15   25   25   18   46                                       
CONECT   16   26   26   19   47                                       
CONECT   17   14   14   27   48                                       
CONECT   18   15   27   27   49                                       
CONECT   19   16   31   31   50                                       
CONECT   20   26   30   30   51                                       
CONECT   21    2   27   52   53                                       
CONECT   22    1   32   54                                            
CONECT   23   30   28   55                                            
CONECT   24    9    9   10   28                                       
CONECT   25   11   14   15   15                                       
CONECT   26   12   16   16   20                                       
CONECT   27   17   18   18   21                                       
CONECT   28   23   24   29   29                                       
CONECT   29    4   28   28   31                                       
CONECT   30   20   20   23   31                                       
CONECT   31   19   19   29   30                                       
CONECT   32    5    6    7   22                                       
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43   10                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
