COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.396   3.668  -0.054  1.00  0.00           C  
HETATM    2  C   UNL     1       2.603   1.430  -0.223  1.00  0.00           C  
HETATM    3  C   UNL     1       3.121  -1.007  -0.391  1.00  0.00           C  
HETATM    4  C   UNL     1       3.581  -1.420   1.011  1.00  0.00           C  
HETATM    5  C   UNL     1       2.418  -1.854   1.802  1.00  0.00           C  
HETATM    6  C   UNL     1       0.355   1.309  -0.160  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.983   0.692  -0.241  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.238   0.888   0.319  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.218  -0.080   0.172  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.661   1.328   1.432  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.943  -1.245  -0.534  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.692  -1.438  -1.090  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.714  -0.472  -0.950  1.00  0.00           C  
HETATM   14 CL   UNL     1      -5.170  -2.458  -0.717  1.00  0.00          Cl  
HETATM   15  O   UNL     1      -5.448   0.108   0.719  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.992   1.667  -0.095  1.00  0.00           N  
HETATM   17  C   UNL     1       1.459   2.200  -0.143  1.00  0.00           C  
HETATM   18  N   UNL     1       2.533   4.391  -0.048  1.00  0.00           N  
HETATM   19  O   UNL     1       0.319   4.228   0.007  1.00  0.00           O  
HETATM   20  N   UNL     1       0.825   0.089  -0.250  1.00  0.00           N  
HETATM   21  N   UNL     1       2.223   0.146  -0.292  1.00  0.00           N  
HETATM   22  N   UNL     1       1.521  -2.189   2.413  1.00  0.00           N  
HETATM   23  C   UNL     1       4.578  -2.576   0.889  1.00  0.00           C  
HETATM   24  C   UNL     1       5.746  -2.141  -0.001  1.00  0.00           C  
HETATM   25  O   UNL     1       5.246  -1.741  -1.278  1.00  0.00           O  
HETATM   26  C   UNL     1       4.345  -0.633  -1.231  1.00  0.00           C  
HETATM   27  H   UNL     1       3.619   1.796  -0.233  1.00  0.00           H  
HETATM   28  H   UNL     1       2.597  -1.839  -0.862  1.00  0.00           H  
HETATM   29  H   UNL     1       4.062  -0.573   1.501  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.451   1.794   0.868  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.506   2.173   0.761  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.681   1.352   1.816  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.958   1.391   2.263  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.480  -2.344  -1.638  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.738  -0.625  -1.386  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.241   2.593   0.052  1.00  0.00           H  
HETATM   37  H   UNL     1       3.393   3.945  -0.101  1.00  0.00           H  
HETATM   38  H   UNL     1       2.492   5.359   0.010  1.00  0.00           H  
HETATM   39  H   UNL     1       4.953  -2.840   1.878  1.00  0.00           H  
HETATM   40  H   UNL     1       4.083  -3.440   0.445  1.00  0.00           H  
HETATM   41  H   UNL     1       6.265  -1.304   0.465  1.00  0.00           H  
HETATM   42  H   UNL     1       6.438  -2.974  -0.125  1.00  0.00           H  
HETATM   43  H   UNL     1       4.028  -0.379  -2.243  1.00  0.00           H  
HETATM   44  H   UNL     1       4.846   0.224  -0.782  1.00  0.00           H  
CONECT    1   19   19   17   18                                       
CONECT    2   17   17   21   27                                       
CONECT    3   26   21    4   28                                       
CONECT    4    3   23    5   29                                       
CONECT    5    4   22   22   22                                       
CONECT    6   16   20   20   17                                       
CONECT    7   13   13    8   16                                       
CONECT    8    9    9    7   30                                       
CONECT    9   11   15    8    8                                       
CONECT   10   15   31   32   33                                       
CONECT   11   14   12   12    9                                       
CONECT   12   11   11   13   34                                       
CONECT   13   12    7    7   35                                       
CONECT   14   11                                                      
CONECT   15    9   10                                                 
CONECT   16    7    6   36                                            
CONECT   17    6    1    2    2                                       
CONECT   18    1   37   38                                            
CONECT   19    1    1                                                 
CONECT   20    6    6   21                                            
CONECT   21   20    2    3                                            
CONECT   22    5    5    5                                            
CONECT   23   24    4   39   40                                       
CONECT   24   25   23   41   42                                       
CONECT   25   26   24                                                 
CONECT   26   25    3   43   44                                       
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    8                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   16                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   23                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
CONECT   43   26                                                      
CONECT   44   26                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
