COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.955   2.796   0.590  1.00  0.00           O  
HETATM    2  C   UNL     1       6.070   1.668   0.158  1.00  0.00           C  
HETATM    3  C   UNL     1       7.391   1.208  -0.403  1.00  0.00           C  
HETATM    4  C   UNL     1       4.923   0.752   0.181  1.00  0.00           C  
HETATM    5  C   UNL     1       3.695   1.177   0.703  1.00  0.00           C  
HETATM    6  C   UNL     1       2.630   0.321   0.722  1.00  0.00           C  
HETATM    7  C   UNL     1       5.053  -0.549  -0.323  1.00  0.00           C  
HETATM    8  C   UNL     1       3.984  -1.399  -0.294  1.00  0.00           C  
HETATM    9  C   UNL     1       2.765  -0.972   0.225  1.00  0.00           C  
HETATM   10  N   UNL     1       1.677  -1.841   0.246  1.00  0.00           N  
HETATM   11  C   UNL     1       0.429  -1.361   0.078  1.00  0.00           C  
HETATM   12  O   UNL     1       0.259  -0.187  -0.191  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.728  -2.257   0.221  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.690  -3.634   0.530  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.915  -4.079   0.569  1.00  0.00           N  
HETATM   16  N   UNL     1      -2.797  -3.029   0.292  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.072  -1.907   0.083  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.601  -0.568  -0.239  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.385   0.119   0.691  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.876   1.370   0.387  1.00  0.00           C  
HETATM   21 CL   UNL     1      -4.850   2.222   1.544  1.00  0.00          Cl  
HETATM   22  C   UNL     1      -3.594   1.952  -0.845  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.082   3.185  -1.138  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.817   1.277  -1.775  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.314   0.022  -1.478  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.553  -0.639  -2.388  1.00  0.00           O  
HETATM   27  H   UNL     1       8.116   2.019  -0.337  1.00  0.00           H  
HETATM   28  H   UNL     1       7.750   0.352   0.167  1.00  0.00           H  
HETATM   29  H   UNL     1       7.262   0.921  -1.447  1.00  0.00           H  
HETATM   30  H   UNL     1       3.589   2.180   1.089  1.00  0.00           H  
HETATM   31  H   UNL     1       1.683   0.649   1.124  1.00  0.00           H  
HETATM   32  H   UNL     1       5.998  -0.881  -0.725  1.00  0.00           H  
HETATM   33  H   UNL     1       4.084  -2.404  -0.679  1.00  0.00           H  
HETATM   34  H   UNL     1       1.818  -2.791   0.382  1.00  0.00           H  
HETATM   35  H   UNL     1       0.201  -4.220   0.703  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.764  -3.094   0.259  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.605  -0.330   1.648  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.420   3.825  -0.842  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.601   1.733  -2.730  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.634  -0.386  -2.221  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   27   28   29                                       
CONECT    4    2    5    5    7                                       
CONECT    5    4    4    6   30                                       
CONECT    6    5    9    9   31                                       
CONECT    7    4    8    8   32                                       
CONECT    8    7    7    9   33                                       
CONECT    9    6    6    8   10                                       
CONECT   10    9   11   34                                            
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   17   17                                       
CONECT   14   13   15   15   35                                       
CONECT   15   14   14   16                                            
CONECT   16   15   17   36                                            
CONECT   17   13   13   16   18                                       
CONECT   18   17   19   19   25                                       
CONECT   19   18   18   20   37                                       
CONECT   20   19   21   22   22                                       
CONECT   21   20                                                      
CONECT   22   20   20   23   24                                       
CONECT   23   22   38                                                 
CONECT   24   22   25   25   39                                       
CONECT   25   18   24   24   26                                       
CONECT   26   25   40                                                 
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   14                                                      
CONECT   36   16                                                      
CONECT   37   19                                                      
CONECT   38   23                                                      
CONECT   39   24                                                      
CONECT   40   26                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
