COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -7.418   0.855  -0.155  1.00  0.00           O  
HETATM    2  C   UNL     1      -6.302   1.334  -0.107  1.00  0.00           C  
HETATM    3  N   UNL     1      -6.134   2.666  -0.230  1.00  0.00           N  
HETATM    4  C   UNL     1      -5.129   0.457   0.092  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.847   1.005   0.153  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.300  -0.923   0.226  1.00  0.00           C  
HETATM    7 CL   UNL     1      -6.892  -1.612   0.157  1.00  0.00          Cl  
HETATM    8  C   UNL     1      -4.201  -1.739   0.412  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.932  -1.195   0.467  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.753   0.178   0.345  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.464   0.723   0.402  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.417   0.028  -0.085  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.601  -1.029  -0.656  1.00  0.00           O  
HETATM   14  N   UNL     1       0.835   0.505   0.063  1.00  0.00           N  
HETATM   15  C   UNL     1       1.974  -0.250  -0.466  1.00  0.00           C  
HETATM   16  C   UNL     1       2.041  -1.617   0.218  1.00  0.00           C  
HETATM   17  C   UNL     1       1.803  -0.442  -1.974  1.00  0.00           C  
HETATM   18  C   UNL     1       3.248   0.509  -0.198  1.00  0.00           C  
HETATM   19  C   UNL     1       4.448  -0.166  -0.121  1.00  0.00           C  
HETATM   20  C   UNL     1       5.628   0.538   0.127  1.00  0.00           C  
HETATM   21  C   UNL     1       6.916  -0.178   0.210  1.00  0.00           C  
HETATM   22  N   UNL     1       6.954  -1.461   0.052  1.00  0.00           N  
HETATM   23  O   UNL     1       8.189  -2.148   0.131  1.00  0.00           O  
HETATM   24  C   UNL     1       8.187   0.586   0.478  1.00  0.00           C  
HETATM   25  C   UNL     1       5.583   1.923   0.297  1.00  0.00           C  
HETATM   26  C   UNL     1       4.376   2.586   0.218  1.00  0.00           C  
HETATM   27  C   UNL     1       3.212   1.883  -0.034  1.00  0.00           C  
HETATM   28  H   UNL     1      -6.905   3.242  -0.357  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.244   3.048  -0.192  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.709   2.072   0.050  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.334  -2.806   0.516  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.077  -1.838   0.614  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.326   1.601   0.790  1.00  0.00           H  
HETATM   34  H   UNL     1       0.982   1.349   0.519  1.00  0.00           H  
HETATM   35  H   UNL     1       2.163  -1.480   1.293  1.00  0.00           H  
HETATM   36  H   UNL     1       1.119  -2.166   0.024  1.00  0.00           H  
HETATM   37  H   UNL     1       2.888  -2.179  -0.175  1.00  0.00           H  
HETATM   38  H   UNL     1       2.650  -1.004  -2.367  1.00  0.00           H  
HETATM   39  H   UNL     1       0.881  -0.991  -2.168  1.00  0.00           H  
HETATM   40  H   UNL     1       1.755   0.532  -2.461  1.00  0.00           H  
HETATM   41  H   UNL     1       4.475  -1.238  -0.253  1.00  0.00           H  
HETATM   42  H   UNL     1       8.118  -3.103  -0.001  1.00  0.00           H  
HETATM   43  H   UNL     1       8.357   0.641   1.553  1.00  0.00           H  
HETATM   44  H   UNL     1       9.025   0.075   0.004  1.00  0.00           H  
HETATM   45  H   UNL     1       8.098   1.594   0.072  1.00  0.00           H  
HETATM   46  H   UNL     1       6.492   2.474   0.490  1.00  0.00           H  
HETATM   47  H   UNL     1       4.340   3.658   0.350  1.00  0.00           H  
HETATM   48  H   UNL     1       2.269   2.407  -0.094  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    3    1    1                                       
CONECT    3    2   28   29                                            
CONECT    4    5    5    6    2                                       
CONECT    5   10    4    4   30                                       
CONECT    6    8    8    4    7                                       
CONECT    7    6                                                      
CONECT    8    9    6    6   31                                       
CONECT    9   10   10    8   32                                       
CONECT   10   11    9    9    5                                       
CONECT   11   12   10   33                                            
CONECT   12   14   13   13   11                                       
CONECT   13   12   12                                                 
CONECT   14   15   12   34                                            
CONECT   15   16   18   17   14                                       
CONECT   16   15   35   36   37                                       
CONECT   17   15   38   39   40                                       
CONECT   18   27   15   19   19                                       
CONECT   19   18   18   20   41                                       
CONECT   20   25   25   19   21                                       
CONECT   21   20   22   22   24                                       
CONECT   22   21   21   23                                            
CONECT   23   22   42                                                 
CONECT   24   21   43   44   45                                       
CONECT   25   26   20   20   46                                       
CONECT   26   27   27   25   47                                       
CONECT   27   26   26   18   48                                       
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    5                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   11                                                      
CONECT   34   14                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   19                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
