COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.530   0.230  -0.431  1.00  0.00           C  
HETATM    2  C   UNL     1       4.962   2.496  -0.375  1.00  0.00           C  
HETATM    3  C   UNL     1       3.808   2.214  -1.145  1.00  0.00           C  
HETATM    4  C   UNL     1       3.567   0.942  -1.526  1.00  0.00           C  
HETATM    5  C   UNL     1       1.531  -3.086   1.267  1.00  0.00           C  
HETATM    6  C   UNL     1       0.635  -3.600   2.187  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.626  -3.047   2.311  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.996  -1.977   1.517  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.104  -1.458   0.593  1.00  0.00           C  
HETATM   10  C   UNL     1       1.166  -2.015   0.468  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.467  -0.407  -0.189  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.714   0.108  -0.027  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.927   1.134   0.885  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.194   1.664   1.055  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.256   1.175   0.320  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.051   0.143  -0.600  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.769  -0.386  -0.774  1.00  0.00           C  
HETATM   18 CL   UNL     1      -3.450   2.946   2.198  1.00  0.00          Cl  
HETATM   19  C   UNL     1      -5.180  -0.382  -1.387  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.414   0.134  -1.220  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.512  -0.376  -1.985  1.00  0.00           C  
HETATM   22  N   UNL     1      -8.383  -0.780  -2.592  1.00  0.00           N  
HETATM   23  O   UNL     1       2.046  -1.510  -0.437  1.00  0.00           O  
HETATM   24  C   UNL     1       3.330  -2.132  -0.511  1.00  0.00           C  
HETATM   25  C   UNL     1       4.176  -1.431  -1.577  1.00  0.00           C  
HETATM   26  N   UNL     1       4.437  -0.051  -1.164  1.00  0.00           N  
HETATM   27  N   UNL     1       5.794   1.490  -0.038  1.00  0.00           N  
HETATM   28  O   UNL     1       6.287  -0.667  -0.116  1.00  0.00           O  
HETATM   29  O   UNL     1       5.200   3.636  -0.019  1.00  0.00           O  
HETATM   30  H   UNL     1       3.129   3.007  -1.424  1.00  0.00           H  
HETATM   31  H   UNL     1       2.692   0.708  -2.114  1.00  0.00           H  
HETATM   32  H   UNL     1       2.517  -3.517   1.175  1.00  0.00           H  
HETATM   33  H   UNL     1       0.921  -4.435   2.809  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.323  -3.451   3.031  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.982  -1.547   1.616  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.100   1.520   1.463  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.244   1.590   0.456  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.603  -1.181  -1.487  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.019  -1.179  -2.097  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.575   0.932  -0.510  1.00  0.00           H  
HETATM   41  H   UNL     1       3.828  -2.054   0.456  1.00  0.00           H  
HETATM   42  H   UNL     1       3.211  -3.182  -0.774  1.00  0.00           H  
HETATM   43  H   UNL     1       5.121  -1.960  -1.696  1.00  0.00           H  
HETATM   44  H   UNL     1       3.638  -1.431  -2.525  1.00  0.00           H  
HETATM   45  H   UNL     1       6.587   1.675   0.490  1.00  0.00           H  
CONECT    1   28   28   26   27                                       
CONECT    2   27    3   29   29                                       
CONECT    3    4    4    2   30                                       
CONECT    4   26    3    3   31                                       
CONECT    5   10   10    6   32                                       
CONECT    6    5    7    7   33                                       
CONECT    7    6    6    8   34                                       
CONECT    8    9    9    7   35                                       
CONECT    9   10   11    8    8                                       
CONECT   10   23    5    5    9                                       
CONECT   11    9   12                                                 
CONECT   12   11   13   13   17                                       
CONECT   13   12   12   14   36                                       
CONECT   14   13   18   15   15                                       
CONECT   15   14   14   16   37                                       
CONECT   16   17   17   15   19                                       
CONECT   17   12   16   16   38                                       
CONECT   18   14                                                      
CONECT   19   16   20   20   39                                       
CONECT   20   19   19   21   40                                       
CONECT   21   20   22   22   22                                       
CONECT   22   21   21   21                                            
CONECT   23   24   10                                                 
CONECT   24   25   23   41   42                                       
CONECT   25   24   26   43   44                                       
CONECT   26   25    1    4                                            
CONECT   27    1    2   45                                            
CONECT   28    1    1                                                 
CONECT   29    2    2                                                 
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   17                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
CONECT   45   27                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
