COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       3.321   1.662   0.306  1.00  0.00           C  
HETATM    2  C   UNL     1       4.182   0.608   0.010  1.00  0.00           C  
HETATM    3  C   UNL     1       5.357   0.890  -0.712  1.00  0.00           C  
HETATM    4  N   UNL     1       5.598   2.143  -1.081  1.00  0.00           N  
HETATM    5  N   UNL     1       3.632   2.882  -0.103  1.00  0.00           N  
HETATM    6  O   UNL     1      -8.188  -0.269  -2.184  1.00  0.00           O  
HETATM    7  C   UNL     1      -8.493  -0.233  -1.015  1.00  0.00           C  
HETATM    8  O   UNL     1      -9.776  -0.389  -0.652  1.00  0.00           O  
HETATM    9  C   UNL     1      -7.434  -0.012   0.034  1.00  0.00           C  
HETATM   10  O   UNL     1      -6.160   0.126  -0.598  1.00  0.00           O  
HETATM   11  C   UNL     1      -5.089   0.332   0.213  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.823   0.479  -0.334  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.261   0.400   1.588  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.173   0.610   2.412  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.910   0.752   1.871  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.732   0.690   0.495  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.491   0.834  -0.038  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.413   1.048   0.877  1.00  0.00           C  
HETATM   19  C   UNL     1       0.896   1.187   0.098  1.00  0.00           C  
HETATM   20  C   UNL     1       2.050   1.416   1.077  1.00  0.00           C  
HETATM   21  C   UNL     1       4.749   3.114  -0.776  1.00  0.00           C  
HETATM   22  N   UNL     1       5.032   4.405  -1.183  1.00  0.00           N  
HETATM   23  N   UNL     1       6.246  -0.120  -1.032  1.00  0.00           N  
HETATM   24  C   UNL     1       3.870  -0.775   0.444  1.00  0.00           C  
HETATM   25  C   UNL     1       3.547  -1.748  -0.500  1.00  0.00           C  
HETATM   26  C   UNL     1       3.257  -3.035  -0.089  1.00  0.00           C  
HETATM   27 CL   UNL     1       2.856  -4.249  -1.263  1.00  0.00          Cl  
HETATM   28  C   UNL     1       3.287  -3.358   1.256  1.00  0.00           C  
HETATM   29  C   UNL     1       3.605  -2.394   2.197  1.00  0.00           C  
HETATM   30  C   UNL     1       3.903  -1.107   1.797  1.00  0.00           C  
HETATM   31  H   UNL     1     -10.419  -0.528  -1.360  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.661   0.895   0.594  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.413  -0.864   0.713  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.687   0.431  -1.404  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.248   0.290   2.014  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.309   0.664   3.483  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.060   0.916   2.517  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.595   1.959   1.446  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.342   0.201   1.559  1.00  0.00           H  
HETATM   40  H   UNL     1       1.079   0.275  -0.472  1.00  0.00           H  
HETATM   41  H   UNL     1       0.825   2.034  -0.584  1.00  0.00           H  
HETATM   42  H   UNL     1       2.172   0.535   1.707  1.00  0.00           H  
HETATM   43  H   UNL     1       1.830   2.281   1.701  1.00  0.00           H  
HETATM   44  H   UNL     1       4.417   5.125  -0.974  1.00  0.00           H  
HETATM   45  H   UNL     1       5.846   4.591  -1.677  1.00  0.00           H  
HETATM   46  H   UNL     1       6.062  -1.033  -0.759  1.00  0.00           H  
HETATM   47  H   UNL     1       7.053   0.083  -1.530  1.00  0.00           H  
HETATM   48  H   UNL     1       3.524  -1.497  -1.550  1.00  0.00           H  
HETATM   49  H   UNL     1       3.059  -4.365   1.573  1.00  0.00           H  
HETATM   50  H   UNL     1       3.626  -2.651   3.246  1.00  0.00           H  
HETATM   51  H   UNL     1       4.156  -0.358   2.533  1.00  0.00           H  
CONECT    1    5   20    2    2                                       
CONECT    2    1    1    3   24                                       
CONECT    3    4    4    2   23                                       
CONECT    4   21    3    3                                            
CONECT    5   21   21    1                                            
CONECT    6    7    7                                                 
CONECT    7    6    6    8    9                                       
CONECT    8    7   31                                                 
CONECT    9    7   10   32   33                                       
CONECT   10    9   11                                                 
CONECT   11   12   10   13   13                                       
CONECT   12   16   16   11   34                                       
CONECT   13   11   11   14   35                                       
CONECT   14   15   15   13   36                                       
CONECT   15   16   14   14   37                                       
CONECT   16   17   12   12   15                                       
CONECT   17   18   16                                                 
CONECT   18   19   17   38   39                                       
CONECT   19   20   18   40   41                                       
CONECT   20   19    1   42   43                                       
CONECT   21   22    5    5    4                                       
CONECT   22   21   44   45                                            
CONECT   23    3   46   47                                            
CONECT   24    2   25   25   30                                       
CONECT   25   24   24   26   48                                       
CONECT   26   25   27   28   28                                       
CONECT   27   26                                                      
CONECT   28   26   26   29   49                                       
CONECT   29   30   30   28   50                                       
CONECT   30   24   29   29   51                                       
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   25                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
