COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.797   0.277  -0.591  1.00  0.00           C  
HETATM    2  O   UNL     1       5.759   1.377   0.320  1.00  0.00           O  
HETATM    3  C   UNL     1       4.630   2.237   0.152  1.00  0.00           C  
HETATM    4  C   UNL     1       3.345   1.442   0.389  1.00  0.00           C  
HETATM    5  C   UNL     1       3.302   0.258  -0.590  1.00  0.00           C  
HETATM    6  C   UNL     1       4.556  -0.596  -0.388  1.00  0.00           C  
HETATM    7  O   UNL     1       2.212   2.280   0.155  1.00  0.00           O  
HETATM    8  C   UNL     1       0.987   1.695   0.092  1.00  0.00           C  
HETATM    9  C   UNL     1       0.845   0.333  -0.130  1.00  0.00           C  
HETATM   10  C   UNL     1       2.057  -0.564  -0.285  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.141   2.494   0.254  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.401   1.940   0.193  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.548   0.573  -0.032  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.418  -0.226  -0.193  1.00  0.00           C  
HETATM   15  N   UNL     1       2.252  -1.393   0.912  1.00  0.00           N  
HETATM   16  C   UNL     1       1.847  -2.598   0.641  1.00  0.00           C  
HETATM   17  O   UNL     1       1.369  -2.743  -0.612  1.00  0.00           O  
HETATM   18  C   UNL     1       1.821  -1.613  -1.389  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.901  -0.030  -0.101  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.040   0.763   0.060  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.282   0.152  -0.013  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.353  -1.211  -0.240  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.259  -1.934  -0.387  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.058  -1.396  -0.331  1.00  0.00           C  
HETATM   25  N   UNL     1       1.902  -3.629   1.547  1.00  0.00           N  
HETATM   26 CL   UNL     1      -6.733   1.086   0.179  1.00  0.00          Cl  
HETATM   27  H   UNL     1       5.813   0.653  -1.614  1.00  0.00           H  
HETATM   28  H   UNL     1       6.693  -0.316  -0.408  1.00  0.00           H  
HETATM   29  H   UNL     1       4.688   3.057   0.867  1.00  0.00           H  
HETATM   30  H   UNL     1       4.628   2.638  -0.862  1.00  0.00           H  
HETATM   31  H   UNL     1       3.324   1.073   1.414  1.00  0.00           H  
HETATM   32  H   UNL     1       3.256   0.628  -1.613  1.00  0.00           H  
HETATM   33  H   UNL     1       4.562  -1.412  -1.112  1.00  0.00           H  
HETATM   34  H   UNL     1       4.560  -1.005   0.623  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.029   3.553   0.429  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.273   2.565   0.319  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.530  -1.286  -0.368  1.00  0.00           H  
HETATM   38  H   UNL     1       1.050  -1.283  -2.085  1.00  0.00           H  
HETATM   39  H   UNL     1       2.748  -1.845  -1.914  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.955   1.825   0.236  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.318  -1.692  -0.297  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.185  -2.020  -0.457  1.00  0.00           H  
HETATM   43  H   UNL     1       2.256  -3.474   2.437  1.00  0.00           H  
HETATM   44  H   UNL     1       1.588  -4.511   1.297  1.00  0.00           H  
CONECT    1    6    2   27   28                                       
CONECT    2    1    3                                                 
CONECT    3    2    4   29   30                                       
CONECT    4    5    3    7   31                                       
CONECT    5    6   10    4   32                                       
CONECT    6    1    5   33   34                                       
CONECT    7    4    8                                                 
CONECT    8    7    9    9   11                                       
CONECT    9   10    8    8   14                                       
CONECT   10   18    5    9   15                                       
CONECT   11    8   12   12   35                                       
CONECT   12   11   11   13   36                                       
CONECT   13   14   14   12   19                                       
CONECT   14    9   13   13   37                                       
CONECT   15   10   16   16                                            
CONECT   16   17   15   15   25                                       
CONECT   17   18   16                                                 
CONECT   18   17   10   38   39                                       
CONECT   19   24   13   20   20                                       
CONECT   20   19   19   21   40                                       
CONECT   21   22   22   20   26                                       
CONECT   22   23   21   21   41                                       
CONECT   23   24   24   22                                            
CONECT   24   23   23   19   42                                       
CONECT   25   16   43   44                                            
CONECT   26   21                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   20                                                      
CONECT   41   22                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
