COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.134   1.117  -0.711  1.00  0.00           C  
HETATM    2  N   UNL     1       6.342   1.557  -1.016  1.00  0.00           N  
HETATM    3  C   UNL     1       7.383   0.749  -0.996  1.00  0.00           C  
HETATM    4  N   UNL     1       7.274  -0.524  -0.673  1.00  0.00           N  
HETATM    5  C   UNL     1       6.102  -1.046  -0.353  1.00  0.00           C  
HETATM    6  C   UNL     1       4.972  -0.225  -0.356  1.00  0.00           C  
HETATM    7  C   UNL     1       3.636  -0.765  -0.005  1.00  0.00           C  
HETATM    8  C   UNL     1       2.521   0.069  -0.013  1.00  0.00           C  
HETATM    9  C   UNL     1       1.276  -0.433   0.315  1.00  0.00           C  
HETATM   10  C   UNL     1       3.492  -2.111   0.330  1.00  0.00           C  
HETATM   11  C   UNL     1       2.249  -2.607   0.657  1.00  0.00           C  
HETATM   12  C   UNL     1       1.136  -1.772   0.654  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.076  -2.281   0.980  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.212  -1.650   0.597  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.404  -2.363   0.548  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.572  -1.738   0.160  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.557  -0.394  -0.182  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.707   0.223  -0.564  1.00  0.00           O  
HETATM   19  C   UNL     1      -5.893  -0.573  -0.591  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.075   0.287  -1.041  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.319  -0.591  -1.190  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.341   1.375   0.002  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.370   0.319  -0.133  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.198  -0.306   0.254  1.00  0.00           C  
HETATM   25  C   UNL     1       0.082   0.473   0.299  1.00  0.00           C  
HETATM   26  C   UNL     1       0.161   1.445  -0.896  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.344   2.661  -0.303  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.140   2.585   1.028  1.00  0.00           C  
HETATM   29  N   UNL     1      -0.183   3.680   1.857  1.00  0.00           N  
HETATM   30  N   UNL     1       0.101   1.382   1.454  1.00  0.00           N  
HETATM   31  H   UNL     1       4.285   1.785  -0.730  1.00  0.00           H  
HETATM   32  H   UNL     1       8.356   1.143  -1.251  1.00  0.00           H  
HETATM   33  H   UNL     1       6.021  -2.091  -0.090  1.00  0.00           H  
HETATM   34  H   UNL     1       2.630   1.111  -0.276  1.00  0.00           H  
HETATM   35  H   UNL     1       4.352  -2.763   0.333  1.00  0.00           H  
HETATM   36  H   UNL     1       2.138  -3.649   0.916  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.416  -3.409   0.815  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.496  -2.296   0.122  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.760  -1.401  -1.288  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.089  -0.966   0.407  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.842   0.752  -1.999  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.552  -1.056  -0.232  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.161   0.022  -1.511  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.129  -1.366  -1.933  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.183   1.988  -0.319  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.574   0.910   0.960  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.455   2.001   0.108  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.359   1.365  -0.398  1.00  0.00           H  
HETATM   49  H   UNL     1       1.190   1.571  -1.231  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.478   1.112  -1.714  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.029   3.574   2.808  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.367   4.559   1.490  1.00  0.00           H  
CONECT    1    2    2    6   31                                       
CONECT    2    3    1    1                                            
CONECT    3    4    4    2   32                                       
CONECT    4    3    3    5                                            
CONECT    5    4    6    6   33                                       
CONECT    6    5    5    1    7                                       
CONECT    7    6    8    8   10                                       
CONECT    8    7    7    9   34                                       
CONECT    9    8   25   12   12                                       
CONECT   10    7   11   11   35                                       
CONECT   11   10   10   12   36                                       
CONECT   12    9    9   11   13                                       
CONECT   13   12   14                                                 
CONECT   14   24   13   15   15                                       
CONECT   15   14   14   16   37                                       
CONECT   16   17   17   15   38                                       
CONECT   17   23   18   16   16                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   39   40                                       
CONECT   20   22   19   21   41                                       
CONECT   21   20   42   43   44                                       
CONECT   22   20   45   46   47                                       
CONECT   23   24   24   17   48                                       
CONECT   24   25   23   23   14                                       
CONECT   25   30    9   26   24                                       
CONECT   26   27   25   49   50                                       
CONECT   27   28   26                                                 
CONECT   28   29   30   30   27                                       
CONECT   29   28   51   52                                            
CONECT   30   28   28   25                                            
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    8                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
