COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C1* UNL     1       1.607   1.048   0.056  1.00  0.00           C  
HETATM    2  N   UNL     1       1.647  -0.416   0.020  1.00  0.00           N  
HETATM    3  O4* UNL     1       2.516   1.600  -0.921  1.00  0.00           O  
HETATM    4  C2* UNL     1       2.125   1.567   1.416  1.00  0.00           C  
HETATM    5  N   UNL     1       0.975  -2.500   0.013  1.00  0.00           N  
HETATM    6  O5* UNL     1       3.908   3.605  -2.512  1.00  0.00           O  
HETATM    7  C3* UNL     1       2.910   2.848   1.054  1.00  0.00           C  
HETATM    8  N   UNL     1       4.078  -0.953  -0.153  1.00  0.00           N  
HETATM    9  O3* UNL     1       2.326   3.989   1.687  1.00  0.00           O  
HETATM   10  C4* UNL     1       2.772   2.952  -0.481  1.00  0.00           C  
HETATM   11  N   UNL     1       4.571  -3.210  -0.237  1.00  0.00           N  
HETATM   12  O2* UNL     1       1.033   1.877   2.283  1.00  0.00           O  
HETATM   13  C5* UNL     1       4.070   3.476  -1.098  1.00  0.00           C  
HETATM   14  N   UNL     1       2.908  -4.883  -0.160  1.00  0.00           N  
HETATM   15  C   UNL     1       0.569  -1.256   0.066  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.749  -0.854   0.156  1.00  0.00           N  
HETATM   17  C   UNL     1       2.329  -2.529  -0.073  1.00  0.00           C  
HETATM   18  N   UNL     1      -6.790   0.738   0.610  1.00  0.00           N  
HETATM   19  C   UNL     1       2.775  -1.197  -0.072  1.00  0.00           C  
HETATM   20  C   UNL     1       4.943  -1.943  -0.232  1.00  0.00           C  
HETATM   21  C   UNL     1       3.289  -3.550  -0.155  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.819  -1.854   0.197  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.152  -1.159   0.295  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.818  -0.822  -0.844  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.061  -0.174  -0.754  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.607   0.121   0.520  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.889  -0.244   1.672  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.687  -0.871   1.549  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.463   1.080  -0.461  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.984   0.820  -1.743  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.781   0.192  -1.906  1.00  0.00           C  
HETATM   32  H1* UNL     1       0.592   1.404  -0.126  1.00  0.00           H  
HETATM   33  H2* UNL     1       2.785   0.833   1.878  1.00  0.00           H  
HETATM   34  H5* UNL     1       4.694   3.932  -2.970  1.00  0.00           H  
HETATM   35  H3* UNL     1       3.957   2.749   1.340  1.00  0.00           H  
HETATM   36  H3* UNL     1       2.779   4.821   1.494  1.00  0.00           H  
HETATM   37  H4* UNL     1       1.937   3.601  -0.744  1.00  0.00           H  
HETATM   38  H2* UNL     1       1.302   2.207   3.151  1.00  0.00           H  
HETATM   39 H5*1 UNL     1       4.880   2.777  -0.888  1.00  0.00           H  
HETATM   40 H5*2 UNL     1       4.309   4.449  -0.670  1.00  0.00           H  
HETATM   41  H   UNL     1       3.580  -5.579  -0.223  1.00  0.00           H  
HETATM   42  H   UNL     1       1.969  -5.119  -0.100  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.966   0.090   0.191  1.00  0.00           H  
HETATM   44  H   UNL     1       5.996  -1.710  -0.297  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.788  -2.457  -0.711  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.680  -2.498   1.066  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.393  -1.050  -1.810  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.289  -0.027   2.652  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.140  -1.149   2.437  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.415   1.577  -0.347  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.562   1.114  -2.606  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.395  -0.017  -2.893  1.00  0.00           H  
CONECT    1    2    3    4   32                                       
CONECT    2    1   15   19                                            
CONECT    3    1   10                                                 
CONECT    4    1    7   12   33                                       
CONECT    5   15   15   17                                            
CONECT    6   13   34                                                 
CONECT    7    4    9   10   35                                       
CONECT    8   19   19   20                                            
CONECT    9    7   36                                                 
CONECT   10    3    7   13   37                                       
CONECT   11   20   20   21                                            
CONECT   12    4   38                                                 
CONECT   13    6   10   39   40                                       
CONECT   14   21   41   42                                            
CONECT   15    2    5    5   16                                       
CONECT   16   15   22   43                                            
CONECT   17    5   19   21   21                                       
CONECT   18   26   26   29                                            
CONECT   19    2    8    8   17                                       
CONECT   20    8   11   11   44                                       
CONECT   21   11   14   17   17                                       
CONECT   22   16   23   45   46                                       
CONECT   23   22   24   24   28                                       
CONECT   24   23   23   25   47                                       
CONECT   25   24   26   31   31                                       
CONECT   26   18   18   25   27                                       
CONECT   27   26   28   28   48                                       
CONECT   28   23   27   27   49                                       
CONECT   29   18   30   30   50                                       
CONECT   30   29   29   31   51                                       
CONECT   31   25   25   30   52                                       
CONECT   32    1                                                      
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   16                                                      
CONECT   44   20                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   31                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
