COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.760  -4.126  -0.528  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.628   0.599   0.875  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.511   0.534  -1.220  1.00  0.00           C  
HETATM    4  N   UNL     1       3.951   0.575   1.218  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.804   0.549  -2.582  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.832   0.034  -0.736  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.278   0.741  -0.437  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.103   0.058  -2.105  1.00  0.00           C  
HETATM    9  C   UNL     1       2.683  -3.718   0.791  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.907  -0.240   0.226  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.237  -0.412   0.768  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.521   0.275  -0.283  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.199  -0.148  -0.160  1.00  0.00           C  
HETATM   14  O   UNL     1      -6.965  -0.723   1.913  1.00  0.00           O  
HETATM   15  O   UNL     1      -8.527  -0.320   0.383  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.093   0.312  -3.014  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.951   0.321   0.966  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.674   0.102   2.222  1.00  0.00           C  
HETATM   19  C   UNL     1       1.060   1.041  -0.963  1.00  0.00           C  
HETATM   20  O   UNL     1       1.216   1.235  -2.155  1.00  0.00           O  
HETATM   21  C   UNL     1       2.214   1.107  -0.049  1.00  0.00           C  
HETATM   22  C   UNL     1       2.757   2.208   0.566  1.00  0.00           C  
HETATM   23  C   UNL     1       2.284   3.633   0.443  1.00  0.00           C  
HETATM   24  C   UNL     1       1.886   4.160   1.824  1.00  0.00           C  
HETATM   25  C   UNL     1       3.411   4.497  -0.127  1.00  0.00           C  
HETATM   26  O   UNL     1       3.786   1.768   1.294  1.00  0.00           O  
HETATM   27  C   UNL     1       3.073   0.005   0.433  1.00  0.00           C  
HETATM   28  C   UNL     1       2.964  -1.435   0.098  1.00  0.00           C  
HETATM   29  C   UNL     1       2.784  -2.378   1.110  1.00  0.00           C  
HETATM   30 CL   UNL     1       2.687  -1.868   2.766  1.00  0.00          Cl  
HETATM   31  C   UNL     1       2.944  -3.197  -1.536  1.00  0.00           C  
HETATM   32  C   UNL     1       3.047  -1.854  -1.230  1.00  0.00           C  
HETATM   33 CL   UNL     1       3.271  -0.688  -2.497  1.00  0.00          Cl  
HETATM   34  H   UNL     1       2.681  -5.175  -0.772  1.00  0.00           H  
HETATM   35  H   UNL     1       0.048   0.690   1.712  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.022   0.747  -3.300  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.107  -0.127  -2.457  1.00  0.00           H  
HETATM   38  H   UNL     1       2.544  -4.449   1.574  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.666  -0.516   1.242  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.441   0.128  -1.176  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.163  -0.518   1.084  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.315   0.328  -4.071  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.747  -0.968   2.418  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.137   0.585   3.039  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.675   0.526   2.144  1.00  0.00           H  
HETATM   46  H   UNL     1       1.422   3.674  -0.223  1.00  0.00           H  
HETATM   47  H   UNL     1       1.544   5.191   1.735  1.00  0.00           H  
HETATM   48  H   UNL     1       1.084   3.544   2.230  1.00  0.00           H  
HETATM   49  H   UNL     1       2.748   4.119   2.490  1.00  0.00           H  
HETATM   50  H   UNL     1       3.694   4.122  -1.110  1.00  0.00           H  
HETATM   51  H   UNL     1       3.068   5.528  -0.216  1.00  0.00           H  
HETATM   52  H   UNL     1       4.272   4.457   0.539  1.00  0.00           H  
HETATM   53  H   UNL     1       3.007  -3.522  -2.564  1.00  0.00           H  
CONECT    1    9    9   31   34                                       
CONECT    2   17    7    7   35                                       
CONECT    3   12   12    5    7                                       
CONECT    4   27   27   26                                            
CONECT    5   16   16    3   36                                       
CONECT    6   10    8    8   12                                       
CONECT    7    3    2    2   19                                       
CONECT    8    6    6   16   37                                       
CONECT    9   29    1    1   38                                       
CONECT   10   13   13    6   39                                       
CONECT   11   14   14   15   13                                       
CONECT   12    6    3    3   17                                       
CONECT   13   11   10   10   40                                       
CONECT   14   11   11                                                 
CONECT   15   11   41                                                 
CONECT   16    8    5    5   42                                       
CONECT   17   12   18    2                                            
CONECT   18   17   43   44   45                                       
CONECT   19    7   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   22   27                                       
CONECT   22   23   21   21   26                                       
CONECT   23   25   24   22   46                                       
CONECT   24   23   47   48   49                                       
CONECT   25   23   50   51   52                                       
CONECT   26   22    4                                                 
CONECT   27   21   28    4    4                                       
CONECT   28   27   29   29   32                                       
CONECT   29   30   28   28    9                                       
CONECT   30   29                                                      
CONECT   31   32   32    1   53                                       
CONECT   32   28   33   31   31                                       
CONECT   33   32                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    5                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   13                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   31                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
