COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -8.902   1.650   0.034  1.00  0.00           O  
HETATM    2  C   UNL     1      -7.608   1.236   0.023  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.313  -0.109  -0.152  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.001  -0.533  -0.165  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.970   0.391  -0.001  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.269   1.741   0.175  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.583   2.160   0.180  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.558  -0.062  -0.007  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.527   0.870   0.164  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.224   0.468   0.160  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.911  -0.883  -0.015  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.940  -1.828  -0.187  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.337  -3.052  -0.333  1.00  0.00           N  
HETATM   14  N   UNL     1       0.050  -2.895  -0.255  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.266  -1.408  -0.177  1.00  0.00           C  
HETATM   16  C   UNL     1       0.349  -1.633  -0.068  1.00  0.00           C  
HETATM   17  C   UNL     1       1.711  -1.066   0.065  1.00  0.00           C  
HETATM   18  C   UNL     1       2.713  -1.797   0.705  1.00  0.00           C  
HETATM   19  C   UNL     1       3.979  -1.267   0.827  1.00  0.00           C  
HETATM   20  C   UNL     1       1.996   0.197  -0.453  1.00  0.00           C  
HETATM   21  C   UNL     1       3.265   0.722  -0.328  1.00  0.00           C  
HETATM   22  C   UNL     1       4.259  -0.006   0.315  1.00  0.00           C  
HETATM   23  N   UNL     1       5.543   0.529   0.441  1.00  0.00           N  
HETATM   24  C   UNL     1       5.620   1.865  -0.167  1.00  0.00           C  
HETATM   25  C   UNL     1       6.548  -0.370  -0.145  1.00  0.00           C  
HETATM   26  C   UNL     1       7.943   0.222   0.066  1.00  0.00           C  
HETATM   27  N   UNL     1       8.014   1.545  -0.568  1.00  0.00           N1+
HETATM   28  C   UNL     1       7.022   2.438   0.045  1.00  0.00           C  
HETATM   29  H   UNL     1      -8.112  -0.825  -0.279  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.772  -1.580  -0.300  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.473   2.460   0.301  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.816   3.205   0.316  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.765   1.914   0.299  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.435   1.193   0.292  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.801  -3.894  -0.468  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.063  -2.125  -0.307  1.00  0.00           H  
HETATM   37  H   UNL     1       2.495  -2.776   1.104  1.00  0.00           H  
HETATM   38  H   UNL     1       4.755  -1.833   1.322  1.00  0.00           H  
HETATM   39  H   UNL     1       1.224   0.763  -0.952  1.00  0.00           H  
HETATM   40  H   UNL     1       3.486   1.700  -0.729  1.00  0.00           H  
HETATM   41  H   UNL     1       5.414   1.791  -1.235  1.00  0.00           H  
HETATM   42  H   UNL     1       4.884   2.520   0.301  1.00  0.00           H  
HETATM   43  H   UNL     1       6.489  -1.345   0.338  1.00  0.00           H  
HETATM   44  H   UNL     1       6.357  -0.481  -1.213  1.00  0.00           H  
HETATM   45  H   UNL     1       8.138   0.320   1.134  1.00  0.00           H  
HETATM   46  H   UNL     1       8.688  -0.435  -0.380  1.00  0.00           H  
HETATM   47  H   UNL     1       8.938   1.930  -0.439  1.00  0.00           H  
HETATM   48  H   UNL     1       7.085   3.424  -0.417  1.00  0.00           H  
HETATM   49  H   UNL     1       7.222   2.525   1.113  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.307   1.650   0.912  1.00  0.00           H  
HETATM   51  H   UNL     1       7.822   1.456  -1.554  1.00  0.00           H  
CONECT    1    2   50                                                 
CONECT    2    7    7    3    1                                       
CONECT    3    4    4    2   29                                       
CONECT    4    5    3    3   30                                       
CONECT    5    8    6    6    4                                       
CONECT    6    5    5    7   31                                       
CONECT    7    6    2    2   32                                       
CONECT    8    9    9   15    5                                       
CONECT    9   10    8    8   33                                       
CONECT   10   11   11    9   34                                       
CONECT   11   16   10   10   12                                       
CONECT   12   11   13   15   15                                       
CONECT   13   14   12   35                                            
CONECT   14   16   16   13                                            
CONECT   15   12   12    8   36                                       
CONECT   16   17   14   14   11                                       
CONECT   17   18   18   20   16                                       
CONECT   18   19   17   17   37                                       
CONECT   19   22   22   18   38                                       
CONECT   20   21   21   17   39                                       
CONECT   21   22   20   20   40                                       
CONECT   22   23   19   19   21                                       
CONECT   23   25   24   22                                            
CONECT   24   28   23   41   42                                       
CONECT   25   26   23   43   44                                       
CONECT   26   25   27   45   46                                       
CONECT   27   26   28   47   51                                       
CONECT   28   27   24   48   49                                       
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   13                                                      
CONECT   36   15                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50    1                                                      
CONECT   51   27                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
