COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.119   1.297   0.103  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.298   1.279   1.223  1.00  0.00           C  
HETATM    3  C   UNL     1       1.705   1.530   0.469  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.313  -3.024  -2.121  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.326  -2.785  -1.065  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.547  -3.793  -0.631  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.631  -3.611   0.335  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.808  -4.741   0.772  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.457  -2.402   0.908  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.249  -1.319   0.486  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.337   0.019   0.844  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.537   0.706   1.861  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.181   2.467   0.700  1.00  0.00           N  
HETATM   14  N   UNL     1       1.013   2.622   0.247  1.00  0.00           N  
HETATM   15  C   UNL     1       3.848   2.296  -0.544  1.00  0.00           C  
HETATM   16  C   UNL     1       5.167   2.074  -0.883  1.00  0.00           C  
HETATM   17  C   UNL     1       5.767   0.863  -0.583  1.00  0.00           C  
HETATM   18 CL   UNL     1       7.427   0.592  -1.013  1.00  0.00          Cl  
HETATM   19  C   UNL     1       5.049  -0.133   0.059  1.00  0.00           C  
HETATM   20 CL   UNL     1       5.810  -1.648   0.432  1.00  0.00          Cl  
HETATM   21  C   UNL     1       3.730   0.080   0.407  1.00  0.00           C  
HETATM   22  O   UNL     1       0.889   0.660   1.097  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.308   0.569   0.068  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.709   1.885   0.109  1.00  0.00           N  
HETATM   25  C   UNL     1      -5.110   1.995   0.539  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.492   3.473   0.648  1.00  0.00           C  
HETATM   27  N   UNL     1      -5.290   4.127  -0.652  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.889   4.016  -1.082  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.507   2.538  -1.191  1.00  0.00           C  
HETATM   30  N   UNL     1      -3.805  -0.354  -0.730  1.00  0.00           N  
HETATM   31  C   UNL     1      -3.191  -1.519  -0.518  1.00  0.00           C  
HETATM   32  O   UNL     1      -0.622  -2.249   1.783  1.00  0.00           O  
HETATM   33  O   UNL     1      -2.676  -4.897  -1.125  1.00  0.00           O  
HETATM   34  H   UNL     1      -4.271  -4.069  -2.427  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.311  -2.796  -1.744  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.093  -2.386  -2.976  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.082  -5.631   0.205  1.00  0.00           H  
HETATM   38  H   UNL     1       0.244  -4.512   0.602  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.973  -4.922   1.834  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.251  -0.003   2.638  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.124   1.511   2.303  1.00  0.00           H  
HETATM   42  H   UNL     1       3.381   3.241  -0.778  1.00  0.00           H  
HETATM   43  H   UNL     1       5.732   2.847  -1.383  1.00  0.00           H  
HETATM   44  H   UNL     1       3.171  -0.697   0.908  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.754   1.506  -0.192  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.231   1.515   1.510  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.539   3.557   0.939  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.866   3.956   1.399  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.913   3.746  -1.349  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.767   4.496  -2.053  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.245   4.505  -0.351  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.459   2.454  -1.482  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.132   2.055  -1.942  1.00  0.00           H  
CONECT    1   15   15   21    3                                       
CONECT    2   22   13   13   12                                       
CONECT    3    1   14   14   22                                       
CONECT    4    5   34   35   36                                       
CONECT    5    6   31    4                                            
CONECT    6    7   33   33    5                                       
CONECT    7    8    9    6                                            
CONECT    8    7   37   38   39                                       
CONECT    9   32   32    7   10                                       
CONECT   10    9   11   31   31                                       
CONECT   11   12   10   23                                            
CONECT   12    2   11   40   41                                       
CONECT   13   14    2    2                                            
CONECT   14    3    3   13                                            
CONECT   15   16    1    1   42                                       
CONECT   16   17   17   15   43                                       
CONECT   17   18   16   16   19                                       
CONECT   18   17                                                      
CONECT   19   17   20   21   21                                       
CONECT   20   19                                                      
CONECT   21   19   19    1   44                                       
CONECT   22    3    2                                                 
CONECT   23   11   24   30   30                                       
CONECT   24   25   23   29                                            
CONECT   25   26   24   45   46                                       
CONECT   26   25   27   47   48                                       
CONECT   27   26   28   49                                            
CONECT   28   27   29   50   51                                       
CONECT   29   24   28   52   53                                       
CONECT   30   23   23   31                                            
CONECT   31   10   10    5   30                                       
CONECT   32    9    9                                                 
CONECT   33    6    6                                                 
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   21                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
