COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.986  -1.098  -0.034  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.963   0.840   0.435  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.861   2.815   0.842  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.982   2.136   0.728  1.00  0.00           N  
HETATM    5  C   UNL     1       0.444   0.968   0.382  1.00  0.00           C  
HETATM    6  O2* UNL     1      -5.112   1.985  -0.968  1.00  0.00           O  
HETATM    7  C2* UNL     1      -4.933   0.568  -1.003  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.273  -1.292  -0.034  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.725   0.201   0.249  1.00  0.00           C  
HETATM   10  N   UNL     1       0.325   2.258   0.677  1.00  0.00           N  
HETATM   11  C1* UNL     1      -4.369   0.061   0.343  1.00  0.00           C  
HETATM   12  C5* UNL     1      -7.065  -2.344  -0.155  1.00  0.00           C  
HETATM   13  O4* UNL     1      -5.027  -1.206   0.564  1.00  0.00           O  
HETATM   14  C4* UNL     1      -6.395  -1.002   0.149  1.00  0.00           C  
HETATM   15  N   UNL     1       1.691   0.393   0.211  1.00  0.00           N  
HETATM   16  N   UNL     1      -2.919  -0.126   0.251  1.00  0.00           N  
HETATM   17  C3* UNL     1      -6.296  -0.147  -1.133  1.00  0.00           C  
HETATM   18  O3* UNL     1      -7.359   0.806  -1.183  1.00  0.00           O  
HETATM   19  C   UNL     1       2.900   1.209   0.354  1.00  0.00           C  
HETATM   20  C   UNL     1       4.135   0.338   0.116  1.00  0.00           C  
HETATM   21  C   UNL     1       5.397   1.190   0.265  1.00  0.00           C  
HETATM   22  C   UNL     1       6.613   0.331   0.030  1.00  0.00           C  
HETATM   23  C   UNL     1       7.130   0.201  -1.245  1.00  0.00           C  
HETATM   24  C   UNL     1       8.245  -0.585  -1.464  1.00  0.00           C  
HETATM   25  C   UNL     1       8.846  -1.245  -0.400  1.00  0.00           C  
HETATM   26  C   UNL     1       8.324  -1.112   0.881  1.00  0.00           C  
HETATM   27  C   UNL     1       7.213  -0.320   1.093  1.00  0.00           C  
HETATM   28  N   UNL     1       9.973  -2.041  -0.617  1.00  0.00           N  
HETATM   29  O5* UNL     1      -7.185  -3.101   1.051  1.00  0.00           O  
HETATM   30  H   UNL     1      -0.912   3.868   1.081  1.00  0.00           H  
HETATM   31  H2* UNL     1      -5.464   2.358  -1.788  1.00  0.00           H  
HETATM   32  H2* UNL     1      -4.272   0.288  -1.824  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.757  -2.237  -0.230  1.00  0.00           H  
HETATM   34  H1* UNL     1      -4.613   0.759   1.144  1.00  0.00           H  
HETATM   35 H5*1 UNL     1      -8.056  -2.168  -0.574  1.00  0.00           H  
HETATM   36 H5*2 UNL     1      -6.459  -2.897  -0.873  1.00  0.00           H  
HETATM   37  H4* UNL     1      -6.950  -0.469   0.922  1.00  0.00           H  
HETATM   38  H   UNL     1       1.766  -0.550  -0.004  1.00  0.00           H  
HETATM   39  H3* UNL     1      -6.311  -0.783  -2.018  1.00  0.00           H  
HETATM   40  H3* UNL     1      -8.238   0.412  -1.264  1.00  0.00           H  
HETATM   41  H   UNL     1       2.880   2.018  -0.376  1.00  0.00           H  
HETATM   42  H   UNL     1       2.939   1.628   1.359  1.00  0.00           H  
HETATM   43  H   UNL     1       4.154  -0.472   0.846  1.00  0.00           H  
HETATM   44  H   UNL     1       4.096  -0.081  -0.890  1.00  0.00           H  
HETATM   45  H   UNL     1       5.377   1.999  -0.465  1.00  0.00           H  
HETATM   46  H   UNL     1       5.436   1.608   1.270  1.00  0.00           H  
HETATM   47  H   UNL     1       6.662   0.715  -2.072  1.00  0.00           H  
HETATM   48  H   UNL     1       8.648  -0.686  -2.461  1.00  0.00           H  
HETATM   49  H   UNL     1       8.789  -1.624   1.710  1.00  0.00           H  
HETATM   50  H   UNL     1       6.806  -0.216   2.088  1.00  0.00           H  
HETATM   51  H   UNL     1      10.337  -2.133  -1.512  1.00  0.00           H  
HETATM   52  H   UNL     1      10.392  -2.502   0.126  1.00  0.00           H  
HETATM   53  H5* UNL     1      -7.602  -3.965   0.933  1.00  0.00           H  
CONECT    1    8    8    9                                            
CONECT    2    9    9   16    4                                       
CONECT    3   10    4    4   30                                       
CONECT    4    2    3    3                                            
CONECT    5   15    9   10   10                                       
CONECT    6    7   31                                                 
CONECT    7    6   11   17   32                                       
CONECT    8    1    1   16   33                                       
CONECT    9    1    5    2    2                                       
CONECT   10    5    5    3                                            
CONECT   11   16    7   13   34                                       
CONECT   12   29   14   35   36                                       
CONECT   13   11   14                                                 
CONECT   14   17   13   12   37                                       
CONECT   15   19    5   38                                            
CONECT   16    8    2   11                                            
CONECT   17    7   14   18   39                                       
CONECT   18   17   40                                                 
CONECT   19   20   15   41   42                                       
CONECT   20   21   19   43   44                                       
CONECT   21   22   20   45   46                                       
CONECT   22   27   27   23   21                                       
CONECT   23   24   24   22   47                                       
CONECT   24   25   23   23   48                                       
CONECT   25   28   26   26   24                                       
CONECT   26   25   25   27   49                                       
CONECT   27   26   22   22   50                                       
CONECT   28   25   51   52                                            
CONECT   29   12   53                                                 
CONECT   30    3                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
