COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.366   1.001  -2.212  1.00  0.00           N  
HETATM    2  C   UNL     1       4.499   0.251  -0.803  1.00  0.00           C  
HETATM    3  C   UNL     1       4.544  -1.127  -0.770  1.00  0.00           C  
HETATM    4  C   UNL     1       3.532  -1.836  -0.146  1.00  0.00           C  
HETATM    5  C   UNL     1       2.477  -1.162   0.440  1.00  0.00           C  
HETATM    6  C   UNL     1       2.428   0.222   0.408  1.00  0.00           C  
HETATM    7  C   UNL     1       0.058   0.835   0.146  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.409   0.267  -1.903  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.558  -1.197  -0.301  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.484  -1.687   1.788  1.00  0.00           C  
HETATM   11  O   UNL     1       0.204   0.876  -1.057  1.00  0.00           O  
HETATM   12  C   UNL     1       1.258   0.921   1.054  1.00  0.00           C  
HETATM   13 CL   UNL     1       3.586  -3.571  -0.101  1.00  0.00          Cl  
HETATM   14  C   UNL     1       3.440   0.933  -0.212  1.00  0.00           C  
HETATM   15  O   UNL     1       3.440   2.291  -0.252  1.00  0.00           O  
HETATM   16  C   UNL     1       2.209   2.966   0.012  1.00  0.00           C  
HETATM   17  C   UNL     1       1.608   2.391   1.298  1.00  0.00           C  
HETATM   18  C   UNL     1       0.342   3.167   1.670  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.176   0.711   0.672  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.279   0.539  -0.168  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.370  -0.266   0.227  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.403  -0.924   1.462  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.557  -1.823   0.909  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.462  -0.402  -0.669  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.328   1.152  -1.402  1.00  0.00           C  
HETATM   26  H   UNL     1       5.291   0.804  -1.287  1.00  0.00           H  
HETATM   27  H   UNL     1       5.367  -1.653  -1.230  1.00  0.00           H  
HETATM   28  H   UNL     1       1.688  -1.717   0.925  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.229   0.177  -2.600  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.397  -1.311  -0.971  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.510  -2.195   2.740  1.00  0.00           H  
HETATM   32  H   UNL     1       1.029   0.440   2.005  1.00  0.00           H  
HETATM   33  H   UNL     1       2.396   4.033   0.140  1.00  0.00           H  
HETATM   34  H   UNL     1       1.520   2.812  -0.818  1.00  0.00           H  
HETATM   35  H   UNL     1       2.335   2.466   2.106  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.044   2.799   2.620  1.00  0.00           H  
HETATM   37  H   UNL     1       0.579   4.227   1.760  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.410   3.027   0.894  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.300   0.742   1.633  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.578  -0.827   2.153  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.401  -2.435   1.191  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.500   1.771  -1.717  1.00  0.00           H  
CONECT    1    8    8   25                                            
CONECT    2    3    3   14   26                                       
CONECT    3    4    2    2   27                                       
CONECT    4   13    5    5    3                                       
CONECT    5    4    4    6   28                                       
CONECT    6    5   12   14   14                                       
CONECT    7   19   11   11   12                                       
CONECT    8    1    1   24   29                                       
CONECT    9   24   24   23   30                                       
CONECT   10   23   23   22   31                                       
CONECT   11    7    7                                                 
CONECT   12    7    6   17   32                                       
CONECT   13    4                                                      
CONECT   14    6    6    2   15                                       
CONECT   15   14   16                                                 
CONECT   16   17   15   33   34                                       
CONECT   17   12   18   16   35                                       
CONECT   18   17   36   37   38                                       
CONECT   19   20    7   39                                            
CONECT   20   25   25   21   19                                       
CONECT   21   24   20   22   22                                       
CONECT   22   21   21   10   40                                       
CONECT   23    9   10   10   41                                       
CONECT   24    8    9    9   21                                       
CONECT   25    1   20   20   42                                       
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    5                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   12                                                      
CONECT   33   16                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
CONECT   42   25                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
