COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.386   3.770   0.534  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.136   2.018  -0.589  1.00  0.00           N  
HETATM    3  O   UNL     1      -2.871   3.352   1.544  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.082   3.119  -0.791  1.00  0.00           C  
HETATM    5  O   UNL     1       2.154  -0.609  -0.138  1.00  0.00           O  
HETATM    6  O   UNL     1      -0.399   3.367  -0.880  1.00  0.00           O  
HETATM    7 CL   UNL     1       6.440   1.374   0.969  1.00  0.00          Cl  
HETATM    8  C   UNL     1      -3.888   0.485  -0.358  1.00  0.00           C  
HETATM    9  C   UNL     1       6.576  -2.440  -0.210  1.00  0.00           C  
HETATM   10  C   UNL     1       5.350  -2.613  -0.825  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.765  -4.093   0.712  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.261  -2.803   0.567  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.194  -2.481  -0.174  1.00  0.00           C  
HETATM   14  C   UNL     1       6.911  -1.217   0.341  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.731  -1.183  -0.339  1.00  0.00           C  
HETATM   16  C   UNL     1       4.457  -1.561  -0.898  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.095  -4.346   0.566  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.354  -3.513   0.112  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.086  -1.757   0.275  1.00  0.00           C  
HETATM   20  C   UNL     1       1.593   1.642  -0.571  1.00  0.00           C  
HETATM   21  C   UNL     1       0.162   1.116  -0.446  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.612   0.726  -0.328  1.00  0.00           N  
HETATM   23  N   UNL     1       3.892   0.739  -0.429  1.00  0.00           N  
HETATM   24  C   UNL     1       2.565   0.510  -0.363  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.810   2.248  -0.654  1.00  0.00           C  
HETATM   26  C   UNL     1       6.020  -0.162   0.277  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.380  -0.891  -0.196  1.00  0.00           C  
HETATM   28  C   UNL     1       4.792  -0.330  -0.352  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.975  -3.292   0.270  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.458  -1.982   0.118  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.234   4.808   0.592  1.00  0.00           O  
HETATM   32  H   UNL     1      -4.003   2.732  -1.226  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.643   3.856  -1.465  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.587   1.296  -0.501  1.00  0.00           H  
HETATM   35  H   UNL     1       7.273  -3.264  -0.155  1.00  0.00           H  
HETATM   36  H   UNL     1       5.090  -3.571  -1.251  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.091  -4.905   0.940  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.202  -2.628   0.689  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.249  -2.681  -0.291  1.00  0.00           H  
HETATM   40  H   UNL     1       7.869  -1.085   0.821  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.427  -0.393  -0.581  1.00  0.00           H  
HETATM   42  H   UNL     1       3.500  -1.697  -1.380  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.471  -5.353   0.677  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.751  -4.512   0.219  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.683  -0.761   0.165  1.00  0.00           H  
HETATM   46  H   UNL     1       1.738   2.068  -1.564  1.00  0.00           H  
HETATM   47  H   UNL     1       1.764   2.411   0.182  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.009   0.347  -1.200  1.00  0.00           H  
HETATM   49  H   UNL     1       0.017   0.690   0.547  1.00  0.00           H  
HETATM   50  H   UNL     1       4.222   1.646  -0.529  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.401   5.190   1.465  1.00  0.00           H  
CONECT    1    4    3    3   31                                       
CONECT    2   25    4   22                                            
CONECT    3    1    1                                                 
CONECT    4    1    2   32   33                                       
CONECT    5   24   24                                                 
CONECT    6   25   25                                                 
CONECT    7   26                                                      
CONECT    8   22   22   27   34                                       
CONECT    9   14   14   10   35                                       
CONECT   10    9   16   16   36                                       
CONECT   11   12   12   17   37                                       
CONECT   12   11   11   19   38                                       
CONECT   13   15   18   18   39                                       
CONECT   14    9    9   26   40                                       
CONECT   15   13   27   27   41                                       
CONECT   16   10   10   28   42                                       
CONECT   17   11   29   29   43                                       
CONECT   18   13   13   29   44                                       
CONECT   19   12   30   30   45                                       
CONECT   20   24   21   46   47                                       
CONECT   21   20   25   48   49                                       
CONECT   22    2    8    8                                            
CONECT   23   28   24   50                                            
CONECT   24    5    5   20   23                                       
CONECT   25    2    6    6   21                                       
CONECT   26    7   14   28   28                                       
CONECT   27    8   15   15   30                                       
CONECT   28   16   23   26   26                                       
CONECT   29   17   17   18   30                                       
CONECT   30   19   19   27   29                                       
CONECT   31    1   51                                                 
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   23                                                      
CONECT   51   31                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
