COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -2.901  -2.321   0.688  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -2.123  -1.749  -0.755  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.361  -2.376  -1.964  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.742  -1.920  -3.113  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.884  -0.837  -3.053  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.646  -0.210  -1.844  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.269  -0.661  -0.696  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.009   0.022   0.622  1.00  0.00           C  
HETATM    9  C   UNL     1       0.456  -0.063   0.942  1.00  0.00           C  
HETATM   10  C   UNL     1       0.993  -1.287   1.405  1.00  0.00           C  
HETATM   11  O   UNL     1       0.850  -1.613   2.569  1.00  0.00           O  
HETATM   12  O   UNL     1       1.663  -2.094   0.555  1.00  0.00           O  
HETATM   13  C   UNL     1       2.178  -3.315   1.090  1.00  0.00           C  
HETATM   14  C   UNL     1       2.900  -4.090  -0.013  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.451   1.455   0.531  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.832   1.758   0.581  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.412   1.779   1.650  1.00  0.00           O  
HETATM   18  O   UNL     1      -3.506   2.024  -0.558  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.898   2.321  -0.433  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.563   2.456   0.405  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.052   3.878   0.309  1.00  0.00           C  
HETATM   22  N   UNL     1       0.781   2.200   0.362  1.00  0.00           N  
HETATM   23  C   UNL     1       1.268   0.998   0.799  1.00  0.00           C  
HETATM   24  C   UNL     1       2.733   0.864   1.125  1.00  0.00           C  
HETATM   25  O   UNL     1       3.504   1.035  -0.066  1.00  0.00           O  
HETATM   26  C   UNL     1       4.915   0.926   0.134  1.00  0.00           C  
HETATM   27  C   UNL     1       5.636   1.125  -1.201  1.00  0.00           C  
HETATM   28  N   UNL     1       5.416   2.498  -1.676  1.00  0.00           N  
HETATM   29  H   UNL     1      -3.031  -3.222  -2.012  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.927  -2.410  -4.057  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.400  -0.481  -3.950  1.00  0.00           H  
HETATM   32  H   UNL     1       0.025   0.635  -1.797  1.00  0.00           H  
HETATM   33  H   UNL     1       2.877  -3.092   1.895  1.00  0.00           H  
HETATM   34  H   UNL     1       1.356  -3.917   1.479  1.00  0.00           H  
HETATM   35  H   UNL     1       3.293  -5.022   0.395  1.00  0.00           H  
HETATM   36  H   UNL     1       2.200  -4.313  -0.819  1.00  0.00           H  
HETATM   37  H   UNL     1       3.722  -3.489  -0.402  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.411   1.474   0.020  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.026   3.203   0.196  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.318   2.515  -1.420  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.062   4.327   1.302  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.388   4.448  -0.341  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.061   3.888  -0.104  1.00  0.00           H  
HETATM   44  H   UNL     1       3.015   1.625   1.853  1.00  0.00           H  
HETATM   45  H   UNL     1       2.923  -0.125   1.542  1.00  0.00           H  
HETATM   46  H   UNL     1       5.241   1.689   0.841  1.00  0.00           H  
HETATM   47  H   UNL     1       5.150  -0.062   0.530  1.00  0.00           H  
HETATM   48  H   UNL     1       6.704   0.954  -1.066  1.00  0.00           H  
HETATM   49  H   UNL     1       5.245   0.420  -1.934  1.00  0.00           H  
HETATM   50  H   UNL     1       5.882   2.654  -2.557  1.00  0.00           H  
HETATM   51  H   UNL     1       4.430   2.702  -1.747  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.578  -0.479   1.405  1.00  0.00           H  
HETATM   53  H   UNL     1       1.390   2.872   0.020  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    3    7    1                                       
CONECT    3    4    2    2   29                                       
CONECT    4    5    5    3   30                                       
CONECT    5    4    4    6   31                                       
CONECT    6    5    7    7   32                                       
CONECT    7    6    6    2    8                                       
CONECT    8   15    7    9   52                                       
CONECT    9    8   23   23   10                                       
CONECT   10    9   12   11   11                                       
CONECT   11   10   10                                                 
CONECT   12   10   13                                                 
CONECT   13   12   14   33   34                                       
CONECT   14   13   35   36   37                                       
CONECT   15   16   20   20    8                                       
CONECT   16   18   17   17   15                                       
CONECT   17   16   16                                                 
CONECT   18   19   16                                                 
CONECT   19   18   38   39   40                                       
CONECT   20   21   15   15   22                                       
CONECT   21   20   41   42   43                                       
CONECT   22   20   23   53                                            
CONECT   23   22    9    9   24                                       
CONECT   24   23   25   44   45                                       
CONECT   25   26   24                                                 
CONECT   26   27   25   46   47                                       
CONECT   27   26   28   48   49                                       
CONECT   28   27   50   51                                            
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52    8                                                      
CONECT   53   22                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
