COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.455   1.919   0.681  1.00  0.00           O  
HETATM    2  C   UNL     1       0.840  -1.329   0.008  1.00  0.00           C  
HETATM    3  C   UNL     1       2.163  -0.894   0.037  1.00  0.00           C  
HETATM    4  C   UNL     1       2.129   0.561  -0.141  1.00  0.00           C  
HETATM    5  N   UNL     1       0.061  -0.231  -0.167  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.339  -0.238  -0.245  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.066   0.819   0.277  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.459   0.808   0.197  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.111  -0.269  -0.410  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.375  -1.318  -0.927  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.995  -1.302  -0.852  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.242   1.931   0.752  1.00  0.00           C  
HETATM   13  C   UNL     1       3.299   1.470  -0.179  1.00  0.00           C  
HETATM   14  C   UNL     1       3.383   2.461  -1.156  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.612   2.968   1.336  1.00  0.00           O  
HETATM   16 CL   UNL     1      -5.844  -0.290  -0.513  1.00  0.00          Cl  
HETATM   17  O   UNL     1       0.559  -2.638   0.149  1.00  0.00           O  
HETATM   18  C   UNL     1       1.539  -3.542   0.318  1.00  0.00           C  
HETATM   19  O   UNL     1       1.255  -4.720   0.443  1.00  0.00           O  
HETATM   20  C   UNL     1       2.889  -3.146   0.353  1.00  0.00           C  
HETATM   21  N   UNL     1       0.868   0.906  -0.260  1.00  0.00           N  
HETATM   22  C   UNL     1       3.206  -1.830   0.213  1.00  0.00           C  
HETATM   23  C   UNL     1       4.644  -1.379   0.246  1.00  0.00           C  
HETATM   24  C   UNL     1       4.316   1.342   0.766  1.00  0.00           C  
HETATM   25  C   UNL     1       5.403   2.192   0.725  1.00  0.00           C  
HETATM   26  C   UNL     1       5.483   3.170  -0.250  1.00  0.00           C  
HETATM   27  C   UNL     1       4.474   3.306  -1.186  1.00  0.00           C  
HETATM   28  H   UNL     1      -1.557   1.649   0.745  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.879  -2.150  -1.395  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.425  -2.123  -1.262  1.00  0.00           H  
HETATM   31  H   UNL     1       2.596   2.568  -1.888  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.166   3.679   1.685  1.00  0.00           H  
HETATM   33  H   UNL     1       3.668  -3.881   0.490  1.00  0.00           H  
HETATM   34  H   UNL     1       4.902  -1.062   1.257  1.00  0.00           H  
HETATM   35  H   UNL     1       5.290  -2.205  -0.052  1.00  0.00           H  
HETATM   36  H   UNL     1       4.779  -0.545  -0.442  1.00  0.00           H  
HETATM   37  H   UNL     1       4.254   0.579   1.528  1.00  0.00           H  
HETATM   38  H   UNL     1       6.191   2.094   1.456  1.00  0.00           H  
HETATM   39  H   UNL     1       6.335   3.834  -0.277  1.00  0.00           H  
HETATM   40  H   UNL     1       4.541   4.073  -1.943  1.00  0.00           H  
CONECT    1   12   12                                                 
CONECT    2    5    3    3   17                                       
CONECT    3    4    2    2   22                                       
CONECT    4   21   21   13    3                                       
CONECT    5   21    6    2                                            
CONECT    6    7    5   11   11                                       
CONECT    7    8    8    6   28                                       
CONECT    8   12    7    7    9                                       
CONECT    9    8   16   10   10                                       
CONECT   10    9    9   11   29                                       
CONECT   11    6    6   10   30                                       
CONECT   12    1    1   15    8                                       
CONECT   13   14    4   24   24                                       
CONECT   14   27   27   13   31                                       
CONECT   15   12   32                                                 
CONECT   16    9                                                      
CONECT   17    2   18                                                 
CONECT   18   17   20   19   19                                       
CONECT   19   18   18                                                 
CONECT   20   22   22   18   33                                       
CONECT   21    4    4    5                                            
CONECT   22    3   23   20   20                                       
CONECT   23   22   34   35   36                                       
CONECT   24   13   13   25   37                                       
CONECT   25   26   26   24   38                                       
CONECT   26   27   25   25   39                                       
CONECT   27   14   14   26   40                                       
CONECT   28    7                                                      
CONECT   29   10                                                      
CONECT   30   11                                                      
CONECT   31   14                                                      
CONECT   32   15                                                      
CONECT   33   20                                                      
CONECT   34   23                                                      
CONECT   35   23                                                      
CONECT   36   23                                                      
CONECT   37   24                                                      
CONECT   38   25                                                      
CONECT   39   26                                                      
CONECT   40   27                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
