COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -6.872  -0.457  -1.439  1.00  0.00           N  
HETATM    2  N   UNL     1       2.857  -1.695   0.247  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.564  -0.978  -0.127  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.899  -2.656   0.330  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.840  -1.831  -0.018  1.00  0.00           C  
HETATM    6  C   UNL     1       0.460  -2.179   0.352  1.00  0.00           C  
HETATM    7  C   UNL     1       1.594  -1.305  -0.016  1.00  0.00           C  
HETATM    8  C   UNL     1       3.770   0.540   0.202  1.00  0.00           C  
HETATM    9  C   UNL     1       6.187  -0.461  -0.710  1.00  0.00           C  
HETATM   10  C   UNL     1       0.685  -3.355   1.070  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.664  -3.824   1.046  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.088   2.291   0.590  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.810   1.921   1.017  1.00  0.00           C  
HETATM   14  C   UNL     1       0.067   2.920   1.405  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.428   3.643   0.572  1.00  0.00           C  
HETATM   16  N   UNL     1      -6.411   0.844  -1.204  1.00  0.00           N  
HETATM   17  C   UNL     1      -7.157   2.079  -1.457  1.00  0.00           C  
HETATM   18  O   UNL     1       1.388  -0.235  -0.554  1.00  0.00           O  
HETATM   19  C   UNL     1      -5.953  -1.316  -1.102  1.00  0.00           C  
HETATM   20  C   UNL     1       4.826   1.398  -0.045  1.00  0.00           C  
HETATM   21  C   UNL     1       6.033   0.898  -0.501  1.00  0.00           C  
HETATM   22  C   UNL     1       5.138  -1.325  -0.453  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.376  -4.168   1.412  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.816  -4.718   1.423  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.065   1.263   0.157  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.147   0.764  -0.699  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.346   4.238   1.359  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.831  -0.608  -0.624  1.00  0.00           C  
HETATM   29  C   UNL     1       3.923  -0.825  -0.002  1.00  0.00           C  
HETATM   30  N   UNL     1      -3.204  -2.309  -0.033  1.00  0.00           N  
HETATM   31  N   UNL     1      -2.726  -0.020   0.247  1.00  0.00           N  
HETATM   32  N   UNL     1      -1.559   4.557   0.951  1.00  0.00           N  
HETATM   33  N   UNL     1      -4.242   1.655  -0.301  1.00  0.00           N  
HETATM   34 CL   UNL     1       4.636   3.104   0.216  1.00  0.00          Cl  
HETATM   35 CL   UNL     1       7.703  -1.085  -1.282  1.00  0.00          Cl  
HETATM   36  H   UNL     1       3.027  -2.579   0.609  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.020  -0.923  -0.575  1.00  0.00           H  
HETATM   38  H   UNL     1       2.828   0.931   0.557  1.00  0.00           H  
HETATM   39  H   UNL     1       1.689  -3.627   1.359  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.513   0.883   1.043  1.00  0.00           H  
HETATM   41  H   UNL     1       1.063   2.671   1.741  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.412   3.943   0.244  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.726   2.349  -0.567  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.461   2.882  -1.701  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.841   1.926  -2.293  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.036  -2.391  -1.176  1.00  0.00           H  
HETATM   47  H   UNL     1       6.856   1.569  -0.693  1.00  0.00           H  
HETATM   48  H   UNL     1       5.260  -2.386  -0.613  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.199  -5.077   1.968  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.982  -5.450   0.633  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.586  -5.234   2.355  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.716  -4.115   1.555  1.00  0.00           H  
HETATM   53  H   UNL     1       0.336   5.020   1.661  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.856  -3.002  -0.220  1.00  0.00           H  
CONECT    1   19   19   16                                            
CONECT    2    7   29   36                                            
CONECT    3   28   30   31   31                                       
CONECT    4   30   11   11    5                                       
CONECT    5    4    6    6   37                                       
CONECT    6    5    5   10    7                                       
CONECT    7    6   18   18    2                                       
CONECT    8   29   20   20   38                                       
CONECT    9   22   35   21   21                                       
CONECT   10   23   23    6   39                                       
CONECT   11   24    4    4   23                                       
CONECT   12   25   13   13   15                                       
CONECT   13   12   12   14   40                                       
CONECT   14   13   27   27   41                                       
CONECT   15   12   32   32   42                                       
CONECT   16    1   17   26                                            
CONECT   17   16   43   44   45                                       
CONECT   18    7    7                                                 
CONECT   19    1    1   28   46                                       
CONECT   20    8    8   21   34                                       
CONECT   21    9    9   20   47                                       
CONECT   22   29   29    9   48                                       
CONECT   23   11   10   10   49                                       
CONECT   24   11   50   51   52                                       
CONECT   25   33   33   31   12                                       
CONECT   26   16   28   28   33                                       
CONECT   27   14   14   32   53                                       
CONECT   28   19   26   26    3                                       
CONECT   29    2   22   22    8                                       
CONECT   30    3    4   54                                            
CONECT   31    3    3   25                                            
CONECT   32   15   15   27                                            
CONECT   33   26   25   25                                            
CONECT   34   20                                                      
CONECT   35    9                                                      
CONECT   36    2                                                      
CONECT   37    5                                                      
CONECT   38    8                                                      
CONECT   39   10                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   27                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
