COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.549  -1.284   1.212  1.00  0.00           C  
HETATM    2  C   UNL     1       8.198  -2.670   1.228  1.00  0.00           C  
HETATM    3  N   UNL     1       8.533  -3.071  -0.144  1.00  0.00           N  
HETATM    4  C   UNL     1       7.328  -3.166  -0.979  1.00  0.00           C  
HETATM    5  C   UNL     1       6.654  -1.795  -1.061  1.00  0.00           C  
HETATM    6  C   UNL     1       6.284  -1.328   0.350  1.00  0.00           C  
HETATM    7  N   UNL     1       5.691   0.010   0.282  1.00  0.00           N  
HETATM    8  C   UNL     1       4.373   0.151   0.038  1.00  0.00           C  
HETATM    9  O   UNL     1       3.677  -0.832  -0.128  1.00  0.00           O  
HETATM   10  C   UNL     1       3.774   1.501  -0.030  1.00  0.00           C  
HETATM   11  C   UNL     1       2.410   1.650  -0.278  1.00  0.00           C  
HETATM   12  C   UNL     1       4.572   2.632   0.160  1.00  0.00           C  
HETATM   13  C   UNL     1       4.010   3.891   0.096  1.00  0.00           C  
HETATM   14  C   UNL     1       2.659   4.038  -0.154  1.00  0.00           C  
HETATM   15  C   UNL     1       1.855   2.919  -0.340  1.00  0.00           C  
HETATM   16  N   UNL     1       0.488   3.074  -0.587  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.393   2.070  -0.242  1.00  0.00           C  
HETATM   18  S   UNL     1      -2.057   2.057  -0.632  1.00  0.00           S  
HETATM   19  N   UNL     1      -0.072   0.997   0.423  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.027   0.137   0.671  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.249   0.506   0.180  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.493  -0.253   0.305  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.498  -1.320   0.891  1.00  0.00           O  
HETATM   24  N   UNL     1      -4.633   0.228  -0.229  1.00  0.00           N  
HETATM   25  C   UNL     1      -5.843  -0.438  -0.011  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.947  -1.798  -0.276  1.00  0.00           C  
HETATM   27 CL   UNL     1      -4.574  -2.674  -0.878  1.00  0.00          Cl  
HETATM   28  C   UNL     1      -7.144  -2.454  -0.059  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.238  -1.757   0.421  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.138  -0.403   0.685  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.942   0.257   0.476  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.833   1.731   0.770  1.00  0.00           C  
HETATM   33  H   UNL     1       7.286  -0.993   2.229  1.00  0.00           H  
HETATM   34  H   UNL     1       8.248  -0.559   0.795  1.00  0.00           H  
HETATM   35  H   UNL     1       9.106  -2.639   1.829  1.00  0.00           H  
HETATM   36  H   UNL     1       7.502  -3.391   1.658  1.00  0.00           H  
HETATM   37  H   UNL     1       9.206  -2.440  -0.551  1.00  0.00           H  
HETATM   38  H   UNL     1       7.605  -3.495  -1.980  1.00  0.00           H  
HETATM   39  H   UNL     1       6.637  -3.885  -0.539  1.00  0.00           H  
HETATM   40  H   UNL     1       7.339  -1.079  -1.514  1.00  0.00           H  
HETATM   41  H   UNL     1       5.751  -1.869  -1.668  1.00  0.00           H  
HETATM   42  H   UNL     1       5.569  -2.023   0.788  1.00  0.00           H  
HETATM   43  H   UNL     1       6.246   0.794   0.414  1.00  0.00           H  
HETATM   44  H   UNL     1       1.787   0.779  -0.421  1.00  0.00           H  
HETATM   45  H   UNL     1       5.628   2.520   0.356  1.00  0.00           H  
HETATM   46  H   UNL     1       4.629   4.764   0.243  1.00  0.00           H  
HETATM   47  H   UNL     1       2.225   5.026  -0.202  1.00  0.00           H  
HETATM   48  H   UNL     1       0.159   3.887  -1.002  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.865  -0.782   1.214  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.614   1.037  -0.765  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.226  -3.511  -0.265  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.173  -2.270   0.590  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.994   0.139   1.059  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.097   2.300  -0.121  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.512   1.991   1.582  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.810   1.968   1.062  1.00  0.00           H  
CONECT    1    2    6   33   34                                       
CONECT    2    3    1   35   36                                       
CONECT    3    2    4   37                                            
CONECT    4    3    5   38   39                                       
CONECT    5    4    6   40   41                                       
CONECT    6    1    5    7   42                                       
CONECT    7    6    8   43                                            
CONECT    8    9    9    7   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   11   12                                       
CONECT   11   10   10   15   44                                       
CONECT   12   10   13   13   45                                       
CONECT   13   12   12   14   46                                       
CONECT   14   15   15   13   47                                       
CONECT   15   11   16   14   14                                       
CONECT   16   15   17   48                                            
CONECT   17   16   19   19   18                                       
CONECT   18   17   21                                                 
CONECT   19   17   17   20                                            
CONECT   20   19   21   21   49                                       
CONECT   21   20   20   18   22                                       
CONECT   22   21   24   23   23                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   50                                            
CONECT   25   24   26   26   31                                       
CONECT   26   27   25   25   28                                       
CONECT   27   26                                                      
CONECT   28   26   29   29   51                                       
CONECT   29   28   28   30   52                                       
CONECT   30   31   31   29   53                                       
CONECT   31   25   32   30   30                                       
CONECT   32   31   54   55   56                                       
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   16                                                      
CONECT   49   20                                                      
CONECT   50   24                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   32                                                      
CONECT   55   32                                                      
CONECT   56   32                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
