COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.217   1.533   0.415  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.298   1.302   1.902  1.00  0.00           C  
HETATM    3  C   UNL     1       0.364   1.289   4.096  1.00  0.00           C  
HETATM    4  C   UNL     1       0.665   1.590   2.778  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.259   2.004  -0.828  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.109  -1.152   0.579  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.476  -2.482   0.613  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.139  -5.100   0.725  1.00  0.00           C  
HETATM    9  C   UNL     1       6.385   0.416  -1.531  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.845   0.760   4.289  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.799   3.431  -0.978  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.573  -2.918  -0.115  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.302  -2.017  -0.879  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.936  -0.685  -0.913  1.00  0.00           C  
HETATM   15  C   UNL     1       5.780   0.009  -0.356  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.840  -0.248  -0.180  1.00  0.00           C  
HETATM   17  C   UNL     1       6.228  -1.125   0.296  1.00  0.00           C  
HETATM   18  C   UNL     1       7.282  -1.851  -0.227  1.00  0.00           C  
HETATM   19  C   UNL     1       7.886  -1.445  -1.401  1.00  0.00           C  
HETATM   20  C   UNL     1       7.437  -0.312  -2.054  1.00  0.00           C  
HETATM   21  C   UNL     1       4.631   0.801   0.213  1.00  0.00           C  
HETATM   22  C   UNL     1       3.313   0.266  -0.351  1.00  0.00           C  
HETATM   23  C   UNL     1       0.931   0.741  -0.155  1.00  0.00           C  
HETATM   24 CL   UNL     1      -4.675  -2.563  -1.791  1.00  0.00          Cl  
HETATM   25  N   UNL     1       2.197   1.036   0.203  1.00  0.00           N  
HETATM   26  N   UNL     1      -1.467   1.102  -0.215  1.00  0.00           N  
HETATM   27  O   UNL     1       0.717  -0.163  -0.935  1.00  0.00           O  
HETATM   28  O   UNL     1      -3.342   1.667  -1.259  1.00  0.00           O  
HETATM   29  O   UNL     1      -2.934  -4.229  -0.081  1.00  0.00           O  
HETATM   30  S   UNL     1      -1.680   0.618   2.748  1.00  0.00           S  
HETATM   31 CL   UNL     1      -2.997   4.349  -1.965  1.00  0.00          Cl  
HETATM   32  H   UNL     1      -0.059   2.594   0.220  1.00  0.00           H  
HETATM   33  H   UNL     1       1.056   1.469   4.905  1.00  0.00           H  
HETATM   34  H   UNL     1       1.609   2.023   2.483  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.254  -0.813   1.146  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.909  -3.184   1.207  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.110  -5.089   0.366  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.166  -4.762   1.761  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.535  -6.114   0.663  1.00  0.00           H  
HETATM   40  H   UNL     1       6.031   1.298  -2.043  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.249   0.464   5.246  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.712   3.890   0.007  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.829   3.451  -1.474  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.503   0.016  -1.508  1.00  0.00           H  
HETATM   45  H   UNL     1       5.756  -1.442   1.214  1.00  0.00           H  
HETATM   46  H   UNL     1       7.633  -2.736   0.283  1.00  0.00           H  
HETATM   47  H   UNL     1       8.710  -2.013  -1.810  1.00  0.00           H  
HETATM   48  H   UNL     1       7.907   0.003  -2.974  1.00  0.00           H  
HETATM   49  H   UNL     1       4.627   0.705   1.299  1.00  0.00           H  
HETATM   50  H   UNL     1       4.744   1.850  -0.058  1.00  0.00           H  
HETATM   51  H   UNL     1       3.318   0.362  -1.436  1.00  0.00           H  
HETATM   52  H   UNL     1       3.201  -0.784  -0.079  1.00  0.00           H  
HETATM   53  H   UNL     1       2.368   1.759   0.827  1.00  0.00           H  
CONECT    1    2   26   23   32                                       
CONECT    2    4    4   30    1                                       
CONECT    3   10   10    4   33                                       
CONECT    4    3    2    2   34                                       
CONECT    5   26   28   28   11                                       
CONECT    6    7    7   16   35                                       
CONECT    7   12    6    6   36                                       
CONECT    8   29   37   38   39                                       
CONECT    9   15   15   20   40                                       
CONECT   10    3    3   30   41                                       
CONECT   11    5   31   42   43                                       
CONECT   12   29   13   13    7                                       
CONECT   13   24   12   12   14                                       
CONECT   14   13   16   16   44                                       
CONECT   15   21    9    9   17                                       
CONECT   16   14   14   26    6                                       
CONECT   17   15   18   18   45                                       
CONECT   18   17   17   19   46                                       
CONECT   19   20   20   18   47                                       
CONECT   20    9   19   19   48                                       
CONECT   21   22   15   49   50                                       
CONECT   22   25   21   51   52                                       
CONECT   23    1   25   27   27                                       
CONECT   24   13                                                      
CONECT   25   23   22   53                                            
CONECT   26   16    1    5                                            
CONECT   27   23   23                                                 
CONECT   28    5    5                                                 
CONECT   29    8   12                                                 
CONECT   30   10    2                                                 
CONECT   31   11                                                      
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   14                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   25                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
