COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.148   0.388   0.124  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.528   0.180   0.179  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.303  -0.932   0.276  1.00  0.00           N  
HETATM    4  C   UNL     1      -6.558  -0.590   0.290  1.00  0.00           C  
HETATM    5  N   UNL     1      -6.677   0.762   0.205  1.00  0.00           N  
HETATM    6  C   UNL     1      -5.398   1.282   0.132  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.885   2.568   0.032  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.522   2.763  -0.022  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.653   1.675   0.023  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.270   1.886  -0.033  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.626   3.199  -0.139  1.00  0.00           C  
HETATM   12  C   UNL     1       0.884   2.905  -0.165  1.00  0.00           C  
HETATM   13  C   UNL     1       0.974   1.402  -0.068  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.315   0.886   0.011  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.460  -0.439   0.111  1.00  0.00           N  
HETATM   16  C   UNL     1       0.592  -1.240   0.137  1.00  0.00           C  
HETATM   17  N   UNL     1       0.391  -2.606   0.241  1.00  0.00           N  
HETATM   18  C   UNL     1       1.673  -3.327   0.255  1.00  0.00           C  
HETATM   19  C   UNL     1       1.407  -4.825   0.431  1.00  0.00           C  
HETATM   20  O   UNL     1       0.543  -5.276  -0.615  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.714  -4.596  -0.659  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.470  -3.096  -0.845  1.00  0.00           C  
HETATM   23  N   UNL     1       1.830  -0.778   0.068  1.00  0.00           N  
HETATM   24  C   UNL     1       2.057   0.532  -0.044  1.00  0.00           C  
HETATM   25  C   UNL     1       3.444   1.053  -0.121  1.00  0.00           C  
HETATM   26  C   UNL     1       4.467   0.422   0.583  1.00  0.00           C  
HETATM   27  C   UNL     1       3.728   2.172  -0.902  1.00  0.00           C  
HETATM   28  C   UNL     1       5.020   2.654  -0.972  1.00  0.00           C  
HETATM   29  C   UNL     1       6.034   2.030  -0.270  1.00  0.00           C  
HETATM   30  C   UNL     1       5.760   0.913   0.507  1.00  0.00           C  
HETATM   31  O   UNL     1       6.761   0.300   1.191  1.00  0.00           O  
HETATM   32  H   UNL     1      -2.471  -0.452   0.163  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.386  -1.281   0.360  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.505   1.267   0.196  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.554   3.415  -0.005  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.125   3.764  -0.101  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.931   3.696  -1.060  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.877   3.814   0.725  1.00  0.00           H  
HETATM   39  H   UNL     1       1.324   3.254  -1.100  1.00  0.00           H  
HETATM   40  H   UNL     1       1.378   3.373   0.687  1.00  0.00           H  
HETATM   41  H   UNL     1       2.196  -3.158  -0.686  1.00  0.00           H  
HETATM   42  H   UNL     1       2.284  -2.966   1.083  1.00  0.00           H  
HETATM   43  H   UNL     1       2.350  -5.369   0.385  1.00  0.00           H  
HETATM   44  H   UNL     1       0.932  -4.999   1.396  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.305  -4.975  -1.492  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.251  -4.764   0.275  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.423  -2.567  -0.821  1.00  0.00           H  
HETATM   48  H   UNL     1       0.019  -2.923  -1.804  1.00  0.00           H  
HETATM   49  H   UNL     1       4.253  -0.447   1.187  1.00  0.00           H  
HETATM   50  H   UNL     1       2.938   2.661  -1.452  1.00  0.00           H  
HETATM   51  H   UNL     1       5.239   3.521  -1.578  1.00  0.00           H  
HETATM   52  H   UNL     1       7.043   2.411  -0.329  1.00  0.00           H  
HETATM   53  H   UNL     1       7.208  -0.399   0.694  1.00  0.00           H  
CONECT    1    2    2    9   32                                       
CONECT    2    1    1    3    6                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   33                                       
CONECT    5    4    6   34                                            
CONECT    6    2    5    7    7                                       
CONECT    7    6    6    8   35                                       
CONECT    8    7    9    9   36                                       
CONECT    9    1    8    8   10                                       
CONECT   10    9   11   14                                            
CONECT   11   10   12   37   38                                       
CONECT   12   11   13   39   40                                       
CONECT   13   12   14   24   24                                       
CONECT   14   10   13   15   15                                       
CONECT   15   14   14   16                                            
CONECT   16   15   17   23   23                                       
CONECT   17   16   18   22                                            
CONECT   18   17   19   41   42                                       
CONECT   19   18   20   43   44                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   45   46                                       
CONECT   22   17   21   47   48                                       
CONECT   23   16   16   24                                            
CONECT   24   13   13   23   25                                       
CONECT   25   24   26   26   27                                       
CONECT   26   25   25   30   49                                       
CONECT   27   25   28   28   50                                       
CONECT   28   27   27   29   51                                       
CONECT   29   28   30   30   52                                       
CONECT   30   26   29   29   31                                       
CONECT   31   30   53                                                 
CONECT   32    1                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   31                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
