COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.087  -1.582  -0.002  1.00  0.00           C  
HETATM    2  C   UNL     1       3.474   3.344   0.004  1.00  0.00           C  
HETATM    3  C   UNL     1       0.923  -0.820  -0.002  1.00  0.00           C  
HETATM    4  C   UNL     1       2.218   1.091  -0.005  1.00  0.00           C  
HETATM    5  C   UNL     1       2.295   2.571  -0.005  1.00  0.00           C  
HETATM    6  C   UNL     1       1.237   3.435  -0.012  1.00  0.00           C  
HETATM    7  C   UNL     1       3.310  -0.935   0.003  1.00  0.00           C  
HETATM    8  C   UNL     1       4.963  -2.167  -1.398  1.00  0.00           C  
HETATM    9  C   UNL     1       4.380  -2.000   0.007  1.00  0.00           C  
HETATM   10  N   UNL     1       1.027   0.507  -0.003  1.00  0.00           N  
HETATM   11  N   UNL     1       3.343   0.386   0.003  1.00  0.00           N  
HETATM   12  N   UNL     1       1.733   4.686  -0.009  1.00  0.00           N  
HETATM   13  N   UNL     1       3.131   4.604   0.001  1.00  0.00           N  
HETATM   14  N   UNL     1      -0.322  -1.431   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.483  -0.651   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.859  -1.151   0.001  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.426  -2.429   0.003  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.784  -2.568   0.005  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.610  -1.451   0.004  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.075  -0.182   0.001  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.691  -0.016   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.868   1.080  -0.002  1.00  0.00           N  
HETATM   23  N   UNL     1      -1.535   0.654   0.004  1.00  0.00           N  
HETATM   24 CL   UNL     1      -6.119   1.205   0.000  1.00  0.00          Cl  
HETATM   25  C   UNL     1       2.360  -3.065  -0.001  1.00  0.00           C  
HETATM   26  O   UNL     1       3.729  -3.215   0.422  1.00  0.00           O  
HETATM   27  C   UNL     1       5.488  -1.630   0.995  1.00  0.00           C  
HETATM   28  H   UNL     1       4.484   2.962   0.015  1.00  0.00           H  
HETATM   29  H   UNL     1       0.192   3.163  -0.020  1.00  0.00           H  
HETATM   30  H   UNL     1       5.399  -1.223  -1.725  1.00  0.00           H  
HETATM   31  H   UNL     1       5.733  -2.938  -1.383  1.00  0.00           H  
HETATM   32  H   UNL     1       4.170  -2.459  -2.088  1.00  0.00           H  
HETATM   33  H   UNL     1       1.212   5.504  -0.012  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.387  -2.398   0.001  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.792  -3.303   0.003  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.221  -3.556   0.007  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.683  -1.579   0.005  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.162   2.004  -0.003  1.00  0.00           H  
HETATM   39  H   UNL     1       1.694  -3.569   0.699  1.00  0.00           H  
HETATM   40  H   UNL     1       2.230  -3.472  -1.004  1.00  0.00           H  
HETATM   41  H   UNL     1       5.067  -1.543   1.997  1.00  0.00           H  
HETATM   42  H   UNL     1       6.254  -2.405   0.989  1.00  0.00           H  
HETATM   43  H   UNL     1       5.932  -0.678   0.703  1.00  0.00           H  
CONECT    1    3   25    7    7                                       
CONECT    2   13   13    5   28                                       
CONECT    3   14   10   10    1                                       
CONECT    4   10    5   11   11                                       
CONECT    5    2    4    6    6                                       
CONECT    6    5    5   12   29                                       
CONECT    7    1    1   11    9                                       
CONECT    8    9   30   31   32                                       
CONECT    9    7   26    8   27                                       
CONECT   10    3    3    4                                            
CONECT   11    4    4    7                                            
CONECT   12   13    6   33                                            
CONECT   13    2    2   12                                            
CONECT   14   15    3   34                                            
CONECT   15   23   23   16   14                                       
CONECT   16   21   15   17   17                                       
CONECT   17   16   16   18   35                                       
CONECT   18   19   19   17   36                                       
CONECT   19   20   18   18   37                                       
CONECT   20   24   21   21   19                                       
CONECT   21   20   20   22   16                                       
CONECT   22   21   23   38                                            
CONECT   23   22   15   15                                            
CONECT   24   20                                                      
CONECT   25    1   26   39   40                                       
CONECT   26   25    9                                                 
CONECT   27    9   41   42   43                                       
CONECT   28    2                                                      
CONECT   29    6                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33   12                                                      
CONECT   34   14                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   22                                                      
CONECT   39   25                                                      
CONECT   40   25                                                      
CONECT   41   27                                                      
CONECT   42   27                                                      
CONECT   43   27                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
