COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.956   0.594  -0.153  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.319   0.678  -0.362  1.00  0.00           C  
HETATM    3 CL   UNL     1      -8.062   2.225  -0.623  1.00  0.00          Cl  
HETATM    4  C   UNL     1      -8.093  -0.472  -0.365  1.00  0.00           C  
HETATM    5 CL   UNL     1      -9.805  -0.360  -0.630  1.00  0.00          Cl  
HETATM    6  C   UNL     1      -7.506  -1.707  -0.158  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.145  -1.802   0.053  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.361  -0.649   0.056  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.898  -0.746   0.282  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.108   0.326   0.299  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.278  -1.920   0.488  1.00  0.00           C  
HETATM   12  S   UNL     1      -1.559  -1.606   0.712  1.00  0.00           S  
HETATM   13  C   UNL     1      -1.844   0.119   0.506  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.870   1.104   0.559  1.00  0.00           N  
HETATM   15  C   UNL     1       0.479   0.748   0.647  1.00  0.00           C  
HETATM   16  C   UNL     1       0.951  -0.366  -0.035  1.00  0.00           C  
HETATM   17  C   UNL     1       2.285  -0.714   0.055  1.00  0.00           C  
HETATM   18  C   UNL     1       1.351   1.512   1.413  1.00  0.00           C  
HETATM   19  C   UNL     1       2.683   1.158   1.499  1.00  0.00           C  
HETATM   20  C   UNL     1       3.149   0.045   0.823  1.00  0.00           C  
HETATM   21  C   UNL     1       4.603  -0.339   0.919  1.00  0.00           C  
HETATM   22  C   UNL     1       5.389   0.357  -0.195  1.00  0.00           C  
HETATM   23  N   UNL     1       6.806  -0.016  -0.101  1.00  0.00           N  
HETATM   24  C   UNL     1       6.989  -1.452  -0.348  1.00  0.00           C  
HETATM   25  C   UNL     1       8.451  -1.832  -0.100  1.00  0.00           C  
HETATM   26  C   UNL     1       9.350  -1.016  -1.033  1.00  0.00           C  
HETATM   27  O   UNL     1      10.720  -1.325  -0.767  1.00  0.00           O  
HETATM   28  C   UNL     1       9.105   0.475  -0.790  1.00  0.00           C  
HETATM   29  C   UNL     1       7.624   0.788  -1.018  1.00  0.00           C  
HETATM   30  C   UNL     1       7.371   2.274  -0.757  1.00  0.00           C  
HETATM   31  O   UNL     1       7.792   2.603   0.568  1.00  0.00           O  
HETATM   32  H   UNL     1      -5.352   1.489  -0.155  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.114  -2.600  -0.161  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.689  -2.767   0.215  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.752  -2.890   0.513  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.124   2.040   0.534  1.00  0.00           H  
HETATM   37  H   UNL     1       0.277  -0.959  -0.634  1.00  0.00           H  
HETATM   38  H   UNL     1       2.653  -1.580  -0.475  1.00  0.00           H  
HETATM   39  H   UNL     1       0.988   2.381   1.941  1.00  0.00           H  
HETATM   40  H   UNL     1       3.362   1.751   2.094  1.00  0.00           H  
HETATM   41  H   UNL     1       4.997  -0.032   1.888  1.00  0.00           H  
HETATM   42  H   UNL     1       4.702  -1.419   0.812  1.00  0.00           H  
HETATM   43  H   UNL     1       4.995   0.050  -1.164  1.00  0.00           H  
HETATM   44  H   UNL     1       5.290   1.438  -0.088  1.00  0.00           H  
HETATM   45  H   UNL     1       6.347  -2.021   0.326  1.00  0.00           H  
HETATM   46  H   UNL     1       6.725  -1.681  -1.380  1.00  0.00           H  
HETATM   47  H   UNL     1       8.712  -1.617   0.936  1.00  0.00           H  
HETATM   48  H   UNL     1       8.590  -2.895  -0.297  1.00  0.00           H  
HETATM   49  H   UNL     1       9.115  -1.260  -2.070  1.00  0.00           H  
HETATM   50  H   UNL     1      10.945  -2.256  -0.896  1.00  0.00           H  
HETATM   51  H   UNL     1       9.376   0.727   0.235  1.00  0.00           H  
HETATM   52  H   UNL     1       9.711   1.061  -1.482  1.00  0.00           H  
HETATM   53  H   UNL     1       7.357   0.549  -2.048  1.00  0.00           H  
HETATM   54  H   UNL     1       7.932   2.870  -1.476  1.00  0.00           H  
HETATM   55  H   UNL     1       6.306   2.485  -0.863  1.00  0.00           H  
HETATM   56  H   UNL     1       7.661   3.532   0.803  1.00  0.00           H  
CONECT    1    2    2    8   32                                       
CONECT    2    3    1    1    4                                       
CONECT    3    2                                                      
CONECT    4    2    5    6    6                                       
CONECT    5    4                                                      
CONECT    6    4    4    7   33                                       
CONECT    7    8    8    6   34                                       
CONECT    8    1    9    7    7                                       
CONECT    9   10    8   11   11                                       
CONECT   10   13   13    9                                            
CONECT   11   12    9    9   35                                       
CONECT   12   13   11                                                 
CONECT   13   14   10   10   12                                       
CONECT   14   15   13   36                                            
CONECT   15   16   16   18   14                                       
CONECT   16   17   15   15   37                                       
CONECT   17   20   20   16   38                                       
CONECT   18   19   19   15   39                                       
CONECT   19   20   18   18   40                                       
CONECT   20   21   17   17   19                                       
CONECT   21   22   20   41   42                                       
CONECT   22   23   21   43   44                                       
CONECT   23   24   29   22                                            
CONECT   24   25   23   45   46                                       
CONECT   25   26   24   47   48                                       
CONECT   26   27   25   28   49                                       
CONECT   27   26   50                                                 
CONECT   28   26   29   51   52                                       
CONECT   29   28   23   30   53                                       
CONECT   30   29   31   54   55                                       
CONECT   31   30   56                                                 
CONECT   32    1                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35   11                                                      
CONECT   36   14                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
CONECT   56   31                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
