COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.465   3.875   1.471  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.145   2.786   0.445  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.414   2.069   0.061  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.457   2.803  -0.403  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.613   2.196  -0.759  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.560   2.838  -1.178  1.00  0.00           O  
HETATM    7  C   UNL     1      -3.683   0.741  -0.622  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.671  -0.229  -0.875  1.00  0.00           C  
HETATM    9  N   UNL     1      -4.185  -1.399  -0.566  1.00  0.00           N  
HETATM   10  N   UNL     1      -2.871  -1.252  -0.101  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.553   0.068  -0.132  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.457   0.775   0.185  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.992  -2.336   0.343  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.635  -3.087   1.523  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.822  -4.548   1.066  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.773  -4.733  -0.058  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.811  -3.367  -0.790  1.00  0.00           C  
HETATM   18  N   UNL     1       0.802   1.826   1.029  1.00  0.00           N  
HETATM   19  C   UNL     1       1.371   0.947  -0.010  1.00  0.00           C  
HETATM   20  C   UNL     1       2.730   1.096   0.688  1.00  0.00           C  
HETATM   21  C   UNL     1       2.141   2.427   1.174  1.00  0.00           C  
HETATM   22  O   UNL     1       3.835   1.238  -0.208  1.00  0.00           O  
HETATM   23  C   UNL     1       4.683   0.181  -0.313  1.00  0.00           C  
HETATM   24  C   UNL     1       5.844   0.294  -1.064  1.00  0.00           C  
HETATM   25  C   UNL     1       6.705  -0.781  -1.169  1.00  0.00           C  
HETATM   26  C   UNL     1       6.410  -1.970  -0.528  1.00  0.00           C  
HETATM   27  C   UNL     1       5.253  -2.086   0.220  1.00  0.00           C  
HETATM   28  C   UNL     1       4.392  -1.011   0.334  1.00  0.00           C  
HETATM   29  H   UNL     1      -0.985   3.432   2.320  1.00  0.00           H  
HETATM   30  H   UNL     1       0.461   4.336   1.812  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.100   4.632   1.011  1.00  0.00           H  
HETATM   32  H   UNL     1       0.298   3.240  -0.441  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.373   3.766  -0.480  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.662  -0.037  -1.259  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.023  -1.934   0.639  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.977  -3.049   2.391  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.600  -2.644   1.765  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.624  -5.234   1.889  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.830  -4.700   0.678  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.784  -4.917   0.363  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.064  -5.540  -0.730  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.654  -3.328  -1.480  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.875  -3.193  -1.321  1.00  0.00           H  
HETATM   44  H   UNL     1       0.977  -0.069   0.019  1.00  0.00           H  
HETATM   45  H   UNL     1       1.344   1.382  -1.009  1.00  0.00           H  
HETATM   46  H   UNL     1       2.910   0.371   1.481  1.00  0.00           H  
HETATM   47  H   UNL     1       2.321   3.257   0.491  1.00  0.00           H  
HETATM   48  H   UNL     1       2.400   2.666   2.206  1.00  0.00           H  
HETATM   49  H   UNL     1       6.075   1.223  -1.565  1.00  0.00           H  
HETATM   50  H   UNL     1       7.609  -0.693  -1.754  1.00  0.00           H  
HETATM   51  H   UNL     1       7.084  -2.809  -0.612  1.00  0.00           H  
HETATM   52  H   UNL     1       5.024  -3.015   0.719  1.00  0.00           H  
HETATM   53  H   UNL     1       3.488  -1.102   0.918  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2   18    1    3   32                                       
CONECT    3   12   12    2    4                                       
CONECT    4    3    5   33                                            
CONECT    5    4    7    6    6                                       
CONECT    6    5    5                                                 
CONECT    7   11   11    8    5                                       
CONECT    8    9    9    7   34                                       
CONECT    9   10    8    8                                            
CONECT   10   13   11    9                                            
CONECT   11   12   10    7    7                                       
CONECT   12    3    3   11                                            
CONECT   13   17   14   10   35                                       
CONECT   14   15   13   36   37                                       
CONECT   15   16   14   38   39                                       
CONECT   16   15   17   40   41                                       
CONECT   17   16   13   42   43                                       
CONECT   18   21   19    2                                            
CONECT   19   20   18   44   45                                       
CONECT   20   22   21   19   46                                       
CONECT   21   20   18   47   48                                       
CONECT   22   23   20                                                 
CONECT   23   28   28   24   22                                       
CONECT   24   25   25   23   49                                       
CONECT   25   26   24   24   50                                       
CONECT   26   27   27   25   51                                       
CONECT   27   26   26   28   52                                       
CONECT   28   27   23   23   53                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    4                                                      
CONECT   34    8                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
