COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.658   3.408   0.270  1.00  0.00           O  
HETATM    2  C   UNL     1       6.015   2.455   0.664  1.00  0.00           C  
HETATM    3  N   UNL     1       5.420   2.497   1.873  1.00  0.00           N  
HETATM    4  O   UNL     1       5.546   3.651   2.684  1.00  0.00           O  
HETATM    5  C   UNL     1       5.879   1.253  -0.185  1.00  0.00           C  
HETATM    6  C   UNL     1       6.376   1.257  -1.489  1.00  0.00           C  
HETATM    7  C   UNL     1       7.048   2.490  -2.036  1.00  0.00           C  
HETATM    8  C   UNL     1       6.253   0.131  -2.278  1.00  0.00           C  
HETATM    9  C   UNL     1       5.637  -1.003  -1.780  1.00  0.00           C  
HETATM   10  C   UNL     1       5.258   0.108   0.316  1.00  0.00           C  
HETATM   11  C   UNL     1       5.140  -1.016  -0.484  1.00  0.00           C  
HETATM   12  O   UNL     1       4.535  -2.133   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       3.184  -2.143   0.075  1.00  0.00           C  
HETATM   14  N   UNL     1       2.428  -3.216   0.446  1.00  0.00           N  
HETATM   15  C   UNL     1       1.102  -2.822   0.396  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.101  -3.464   0.658  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.290  -2.785   0.513  1.00  0.00           C  
HETATM   18 CL   UNL     1      -2.792  -3.592   0.842  1.00  0.00          Cl  
HETATM   19  N   UNL     1       2.411  -1.123  -0.191  1.00  0.00           N  
HETATM   20  C   UNL     1       1.110  -1.479  -0.018  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.097  -0.795  -0.164  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.294  -1.448   0.101  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.579  -0.725  -0.053  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.750   0.527   0.536  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.616  -1.296  -0.791  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.810  -0.624  -0.934  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.983   0.626  -0.341  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.944   1.199   0.393  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.268   1.349  -0.495  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.834   1.508  -1.759  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.030   2.182  -1.897  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.670   2.701  -0.786  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.118   2.549   0.472  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.920   1.869   0.627  1.00  0.00           C  
HETATM   35  O   UNL     1      -6.379   1.714   1.863  1.00  0.00           O  
HETATM   36  H   UNL     1       4.907   1.736   2.188  1.00  0.00           H  
HETATM   37  H   UNL     1       5.086   3.587   3.533  1.00  0.00           H  
HETATM   38  H   UNL     1       8.091   2.506  -1.719  1.00  0.00           H  
HETATM   39  H   UNL     1       7.000   2.477  -3.125  1.00  0.00           H  
HETATM   40  H   UNL     1       6.540   3.378  -1.660  1.00  0.00           H  
HETATM   41  H   UNL     1       6.638   0.135  -3.287  1.00  0.00           H  
HETATM   42  H   UNL     1       5.543  -1.881  -2.402  1.00  0.00           H  
HETATM   43  H   UNL     1       4.875   0.097   1.326  1.00  0.00           H  
HETATM   44  H   UNL     1       2.759  -4.093   0.698  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.104  -4.497   0.976  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.101   0.237  -0.482  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.946   0.971   1.105  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.482  -2.264  -1.251  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.613  -1.066  -1.506  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.076   2.169   0.849  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.336   1.105  -2.629  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.468   2.305  -2.877  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.606   3.228  -0.902  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.622   2.957   1.335  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.783   2.430   2.124  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    5    3    1    1                                       
CONECT    3    2    4   36                                            
CONECT    4    3   37                                                 
CONECT    5    6    6   10    2                                       
CONECT    6    8    7    5    5                                       
CONECT    7    6   38   39   40                                       
CONECT    8    9    9    6   41                                       
CONECT    9    8    8   11   42                                       
CONECT   10   11   11    5   43                                       
CONECT   11    9   12   10   10                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   19   19                                       
CONECT   14   13   15   44                                            
CONECT   15   14   20   20   16                                       
CONECT   16   15   17   17   45                                       
CONECT   17   16   16   22   18                                       
CONECT   18   17                                                      
CONECT   19   13   13   20                                            
CONECT   20   19   15   15   21                                       
CONECT   21   20   22   22   46                                       
CONECT   22   21   21   17   23                                       
CONECT   23   24   22   25   25                                       
CONECT   24   28   28   23   47                                       
CONECT   25   23   23   26   48                                       
CONECT   26   27   27   25   49                                       
CONECT   27   28   29   26   26                                       
CONECT   28   24   24   27   50                                       
CONECT   29   30   27   34   34                                       
CONECT   30   31   31   29   51                                       
CONECT   31   30   30   32   52                                       
CONECT   32   31   33   33   53                                       
CONECT   33   32   32   34   54                                       
CONECT   34   29   29   33   35                                       
CONECT   35   34   55                                                 
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   14                                                      
CONECT   45   16                                                      
CONECT   46   21                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   28                                                      
CONECT   51   30                                                      
CONECT   52   31                                                      
CONECT   53   32                                                      
CONECT   54   33                                                      
CONECT   55   35                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
