COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.161   1.877  -3.466  1.00  0.00           C  
HETATM    2  C   UNL     1       3.797   1.814  -1.179  1.00  0.00           C  
HETATM    3  C   UNL     1       4.906   1.251   3.414  1.00  0.00           C  
HETATM    4  C   UNL     1       3.480  -0.163  -0.043  1.00  0.00           C  
HETATM    5  C   UNL     1       3.017  -1.597  -0.056  1.00  0.00           C  
HETATM    6  C   UNL     1       3.833  -2.388  -1.080  1.00  0.00           C  
HETATM    7  C   UNL     1       3.362  -3.843  -1.093  1.00  0.00           C  
HETATM    8  C   UNL     1       1.880  -3.897  -1.471  1.00  0.00           C  
HETATM    9  C   UNL     1       1.064  -3.106  -0.447  1.00  0.00           C  
HETATM   10  C   UNL     1       0.731  -0.871   0.575  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.389  -0.022   1.425  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.650  -1.089   1.542  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.385   0.892   0.223  1.00  0.00           C  
HETATM   14  O   UNL     1       3.702   2.539  -2.321  1.00  0.00           O  
HETATM   15  C   UNL     1       4.307   2.388  -0.021  1.00  0.00           C  
HETATM   16  C   UNL     1       4.378   1.606   1.126  1.00  0.00           C  
HETATM   17  O   UNL     1       4.867   2.121   2.280  1.00  0.00           O  
HETATM   18  N   UNL     1       3.958   0.345   1.075  1.00  0.00           N  
HETATM   19  N   UNL     1       3.397   0.547  -1.150  1.00  0.00           N  
HETATM   20  C   UNL     1       1.535  -1.650  -0.434  1.00  0.00           C  
HETATM   21  O   UNL     1       1.288  -0.327   1.505  1.00  0.00           O  
HETATM   22  N   UNL     1      -0.607  -0.779   0.444  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.848  -0.074   1.053  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.987  -1.141   1.197  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.524  -0.178   0.362  1.00  0.00           C  
HETATM   26 CL   UNL     1      -7.204  -0.243  -0.071  1.00  0.00          Cl  
HETATM   27  C   UNL     1      -4.722   0.839  -0.127  1.00  0.00           C  
HETATM   28 CL   UNL     1      -5.395   2.049  -1.174  1.00  0.00          Cl  
HETATM   29  H   UNL     1       3.782   1.017  -3.716  1.00  0.00           H  
HETATM   30  H   UNL     1       2.148   1.542  -3.247  1.00  0.00           H  
HETATM   31  H   UNL     1       3.142   2.568  -4.310  1.00  0.00           H  
HETATM   32  H   UNL     1       3.897   0.914   3.648  1.00  0.00           H  
HETATM   33  H   UNL     1       5.534   0.389   3.188  1.00  0.00           H  
HETATM   34  H   UNL     1       5.319   1.787   4.269  1.00  0.00           H  
HETATM   35  H   UNL     1       3.155  -2.032   0.933  1.00  0.00           H  
HETATM   36  H   UNL     1       3.694  -1.952  -2.070  1.00  0.00           H  
HETATM   37  H   UNL     1       4.889  -2.350  -0.811  1.00  0.00           H  
HETATM   38  H   UNL     1       3.944  -4.407  -1.823  1.00  0.00           H  
HETATM   39  H   UNL     1       3.500  -4.279  -0.104  1.00  0.00           H  
HETATM   40  H   UNL     1       1.742  -3.461  -2.461  1.00  0.00           H  
HETATM   41  H   UNL     1       1.545  -4.934  -1.480  1.00  0.00           H  
HETATM   42  H   UNL     1       0.009  -3.144  -0.716  1.00  0.00           H  
HETATM   43  H   UNL     1       1.203  -3.541   0.543  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.250  -0.457   2.414  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.053   1.015   1.434  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.230  -1.844   2.190  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.758   1.685  -0.158  1.00  0.00           H  
HETATM   48  H   UNL     1       4.640   3.416  -0.012  1.00  0.00           H  
HETATM   49  H   UNL     1       1.396  -1.214  -1.423  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.053  -1.214  -0.299  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.613  -1.935   1.579  1.00  0.00           H  
CONECT    1   14   29   30   31                                       
CONECT    2   14   15   15   19                                       
CONECT    3   17   32   33   34                                       
CONECT    4   19   19   18    5                                       
CONECT    5    6    4   20   35                                       
CONECT    6    5    7   36   37                                       
CONECT    7    6    8   38   39                                       
CONECT    8    7    9   40   41                                       
CONECT    9    8   20   42   43                                       
CONECT   10   20   22   21   21                                       
CONECT   11   22   23   44   45                                       
CONECT   12   24   24   23   46                                       
CONECT   13   23   23   27   47                                       
CONECT   14    1    2                                                 
CONECT   15    2    2   16   48                                       
CONECT   16   15   17   18   18                                       
CONECT   17   16    3                                                 
CONECT   18   16   16    4                                            
CONECT   19    2    4    4                                            
CONECT   20    5    9   10   49                                       
CONECT   21   10   10                                                 
CONECT   22   10   11   50                                            
CONECT   23   12   11   13   13                                       
CONECT   24   12   12   25   51                                       
CONECT   25   24   26   27   27                                       
CONECT   26   25                                                      
CONECT   27   25   25   13   28                                       
CONECT   28   27                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   15                                                      
CONECT   49   20                                                      
CONECT   50   22                                                      
CONECT   51   24                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
