COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.119  -1.714  -1.071  1.00  0.00           N  
HETATM    2  C   UNL     1       2.925  -0.416  -0.411  1.00  0.00           C  
HETATM    3  C   UNL     1       1.469  -0.240  -0.067  1.00  0.00           C  
HETATM    4  O   UNL     1       0.740  -1.207   0.000  1.00  0.00           O  
HETATM    5  C   UNL     1       3.761  -0.366   0.870  1.00  0.00           C  
HETATM    6  C   UNL     1       5.226  -0.418   0.516  1.00  0.00           C  
HETATM    7  C   UNL     1       5.924   0.752   0.289  1.00  0.00           C  
HETATM    8  C   UNL     1       5.871  -1.637   0.425  1.00  0.00           C  
HETATM    9  C   UNL     1       7.267   0.704  -0.035  1.00  0.00           C  
HETATM   10  C   UNL     1       7.213  -1.686   0.096  1.00  0.00           C  
HETATM   11  C   UNL     1       7.911  -0.515  -0.132  1.00  0.00           C  
HETATM   12  N   UNL     1       0.976   0.992   0.167  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.442   1.320   0.403  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.330   0.461  -0.460  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.907   0.008  -1.503  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.577   2.809   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.775   3.389   0.491  1.00  0.00           C  
HETATM   18  C   UNL     1       1.763   2.233   0.229  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.456  -0.640  -0.912  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.807  -0.782  -0.259  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.814   0.124  -0.532  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.041   0.987  -0.279  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.270  -0.971   0.879  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.313  -1.917   1.196  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.056  -1.826   0.619  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.593   0.195  -0.073  1.00  0.00           N  
HETATM   27  N   UNL     1      -6.999   0.006   0.036  1.00  0.00           N1+
HETATM   28  H   UNL     1       2.835  -2.472  -0.469  1.00  0.00           H  
HETATM   29  H   UNL     1       2.628  -1.748  -1.952  1.00  0.00           H  
HETATM   30  H   UNL     1       3.240   0.384  -1.081  1.00  0.00           H  
HETATM   31  H   UNL     1       3.510  -1.217   1.502  1.00  0.00           H  
HETATM   32  H   UNL     1       3.550   0.560   1.406  1.00  0.00           H  
HETATM   33  H   UNL     1       5.421   1.705   0.365  1.00  0.00           H  
HETATM   34  H   UNL     1       5.326  -2.552   0.606  1.00  0.00           H  
HETATM   35  H   UNL     1       7.813   1.619  -0.213  1.00  0.00           H  
HETATM   36  H   UNL     1       7.716  -2.638   0.020  1.00  0.00           H  
HETATM   37  H   UNL     1       8.960  -0.553  -0.386  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.694   1.187   1.455  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.678   2.915  -1.080  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.414   3.279   0.517  1.00  0.00           H  
HETATM   41  H   UNL     1       1.051   4.270  -0.088  1.00  0.00           H  
HETATM   42  H   UNL     1       0.731   3.624   1.555  1.00  0.00           H  
HETATM   43  H   UNL     1       2.278   2.393  -0.719  1.00  0.00           H  
HETATM   44  H   UNL     1       2.487   2.172   1.041  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.004  -1.625  -1.031  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.573  -0.174  -1.891  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.629   0.937  -1.218  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.616   0.642  -1.139  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.704   1.101   0.579  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.579   1.946  -0.511  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.252  -1.034   1.324  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.541  -2.714   1.888  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.289  -2.551   0.847  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.931   0.557   0.761  1.00  0.00           H  
CONECT    1    2   28   29                                            
CONECT    2    5    3    1   30                                       
CONECT    3    2   12    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    6    2   31   32                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6    9   33                                       
CONECT    8    6   10   10   34                                       
CONECT    9    7   11   11   35                                       
CONECT   10   11    8    8   36                                       
CONECT   11    9    9   10   37                                       
CONECT   12    3   13   18                                            
CONECT   13   14   16   12   38                                       
CONECT   14   13   15   15   26                                       
CONECT   15   14   14                                                 
CONECT   16   13   17   39   40                                       
CONECT   17   16   18   41   42                                       
CONECT   18   17   12   43   44                                       
CONECT   19   20   26   45   46                                       
CONECT   20   19   21   21   25                                       
CONECT   21   20   20   27   47                                       
CONECT   22   27   48   49   50                                       
CONECT   23   24   27   27   51                                       
CONECT   24   23   25   25   52                                       
CONECT   25   20   24   24   53                                       
CONECT   26   14   19   54                                            
CONECT   27   21   22   23   23                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
