COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.067   1.087  -0.141  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.091   0.163  -0.366  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.405   0.564  -0.266  1.00  0.00           C  
HETATM    4 CL   UNL     1      -5.682  -0.577  -0.550  1.00  0.00          Cl  
HETATM    5  C   UNL     1      -4.714   1.877   0.067  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.715   2.798   0.296  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.381   2.415   0.195  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.369   3.327   0.422  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.074   2.980   0.329  1.00  0.00           C  
HETATM   10  O   UNL     1       0.783   3.821   0.538  1.00  0.00           O  
HETATM   11  C   UNL     1       0.318   1.662  -0.005  1.00  0.00           C  
HETATM   12  C   UNL     1       1.746   1.316  -0.099  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.656   0.692  -0.246  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.306  -0.596  -0.572  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.737  -1.709   0.276  1.00  0.00           C  
HETATM   16  N   UNL     1       2.744   1.872   0.659  1.00  0.00           N  
HETATM   17  C   UNL     1       3.932   1.281   0.267  1.00  0.00           C  
HETATM   18  C   UNL     1       3.600   0.362  -0.743  1.00  0.00           C  
HETATM   19  N   UNL     1       2.256   0.425  -0.918  1.00  0.00           N  
HETATM   20  C   UNL     1       5.253   1.427   0.662  1.00  0.00           C  
HETATM   21  C   UNL     1       6.238   0.670   0.062  1.00  0.00           C  
HETATM   22  C   UNL     1       5.916  -0.238  -0.936  1.00  0.00           C  
HETATM   23  C   UNL     1       4.610  -0.397  -1.341  1.00  0.00           C  
HETATM   24  C   UNL     1       0.286  -1.932   1.389  1.00  0.00           C  
HETATM   25  N   UNL     1       0.855  -3.272   1.323  1.00  0.00           N  
HETATM   26  C   UNL     1       1.529  -3.458   0.046  1.00  0.00           C  
HETATM   27  C   UNL     1       0.557  -3.301  -1.124  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.201  -4.263   1.476  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.249  -4.138   0.364  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.842  -2.988  -0.567  1.00  0.00           C  
HETATM   31  H   UNL     1      -2.854  -0.860  -0.622  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.748   2.179   0.147  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.967   3.816   0.554  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.598   4.241   0.653  1.00  0.00           H  
HETATM   35  H   UNL     1       0.227  -0.767  -1.364  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.709  -1.480   0.714  1.00  0.00           H  
HETATM   37  H   UNL     1       2.637   2.552   1.342  1.00  0.00           H  
HETATM   38  H   UNL     1       5.511   2.133   1.438  1.00  0.00           H  
HETATM   39  H   UNL     1       7.266   0.785   0.370  1.00  0.00           H  
HETATM   40  H   UNL     1       6.696  -0.825  -1.399  1.00  0.00           H  
HETATM   41  H   UNL     1       4.366  -1.107  -2.119  1.00  0.00           H  
HETATM   42  H   UNL     1       1.087  -1.199   1.289  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.201  -1.798   2.354  1.00  0.00           H  
HETATM   44  H   UNL     1       2.324  -2.718  -0.049  1.00  0.00           H  
HETATM   45  H   UNL     1       1.967  -4.456   0.015  1.00  0.00           H  
HETATM   46  H   UNL     1       0.886  -2.484  -1.765  1.00  0.00           H  
HETATM   47  H   UNL     1       0.523  -4.228  -1.697  1.00  0.00           H  
HETATM   48  H   UNL     1       0.237  -5.261   1.444  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.687  -4.119   2.441  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.225  -3.928   0.800  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.291  -5.069  -0.201  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.560  -2.862  -1.378  1.00  0.00           H  
CONECT    1    2    7    7   13                                       
CONECT    2    1    3    3   31                                       
CONECT    3    2    2    4    5                                       
CONECT    4    3                                                      
CONECT    5    3    6    6   32                                       
CONECT    6    5    5    7   33                                       
CONECT    7    1    1    6    8                                       
CONECT    8    7    9   34                                            
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   13   13                                       
CONECT   12   11   16   19   19                                       
CONECT   13    1   11   11   14                                       
CONECT   14   13   15   35                                            
CONECT   15   14   24   30   36                                       
CONECT   16   12   17   37                                            
CONECT   17   16   18   20   20                                       
CONECT   18   17   19   23   23                                       
CONECT   19   12   12   18                                            
CONECT   20   17   17   21   38                                       
CONECT   21   20   22   22   39                                       
CONECT   22   21   21   23   40                                       
CONECT   23   18   18   22   41                                       
CONECT   24   15   25   42   43                                       
CONECT   25   24   26   28                                            
CONECT   26   25   27   44   45                                       
CONECT   27   26   30   46   47                                       
CONECT   28   25   29   48   49                                       
CONECT   29   28   30   50   51                                       
CONECT   30   15   27   29   52                                       
CONECT   31    2                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
CONECT   42   24                                                      
CONECT   43   24                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
