COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.962  -2.887   0.651  1.00  0.00           O  
HETATM    2  C   UNL     1       4.358  -1.851   0.435  1.00  0.00           C  
HETATM    3  N   UNL     1       3.023  -1.783   0.621  1.00  0.00           N  
HETATM    4  C   UNL     1       2.306  -2.972   1.087  1.00  0.00           C  
HETATM    5  N   UNL     1       2.308  -0.609   0.382  1.00  0.00           N  
HETATM    6  C   UNL     1       5.069  -0.653  -0.027  1.00  0.00           C  
HETATM    7  C   UNL     1       6.447  -0.647  -0.237  1.00  0.00           C  
HETATM    8  C   UNL     1       7.064   0.505  -0.672  1.00  0.00           C  
HETATM    9  C   UNL     1       6.327   1.660  -0.903  1.00  0.00           C  
HETATM   10  C   UNL     1       4.965   1.678  -0.702  1.00  0.00           C  
HETATM   11  C   UNL     1       4.318   0.522  -0.262  1.00  0.00           C  
HETATM   12  C   UNL     1       2.874   0.486  -0.033  1.00  0.00           C  
HETATM   13  C   UNL     1       2.042   1.719  -0.272  1.00  0.00           C  
HETATM   14  C   UNL     1       0.598   1.420   0.040  1.00  0.00           C  
HETATM   15  O   UNL     1       0.276   0.314   0.420  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.336   2.382  -0.102  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.690   2.075   0.081  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.553   3.031   0.613  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.170   0.826  -0.271  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.519   0.528  -0.086  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.355  -0.644  -0.333  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.951  -1.976  -0.908  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.056  -2.994  -0.599  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.413  -2.404  -0.995  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.776  -1.265  -0.035  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.600  -0.320   0.056  1.00  0.00           C  
HETATM   27  O   UNL     1      -5.615   0.939   0.522  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.386   1.494   0.457  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.887   2.744   0.799  1.00  0.00           C  
HETATM   30  H   UNL     1       2.280  -2.976   2.177  1.00  0.00           H  
HETATM   31  H   UNL     1       1.288  -2.958   0.698  1.00  0.00           H  
HETATM   32  H   UNL     1       2.818  -3.867   0.733  1.00  0.00           H  
HETATM   33  H   UNL     1       7.028  -1.541  -0.059  1.00  0.00           H  
HETATM   34  H   UNL     1       8.132   0.512  -0.834  1.00  0.00           H  
HETATM   35  H   UNL     1       6.828   2.554  -1.243  1.00  0.00           H  
HETATM   36  H   UNL     1       4.400   2.580  -0.884  1.00  0.00           H  
HETATM   37  H   UNL     1       2.393   2.525   0.371  1.00  0.00           H  
HETATM   38  H   UNL     1       2.132   2.021  -1.316  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.069   3.286  -0.332  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.172   4.005   0.881  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.502   0.086  -0.688  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.827  -1.887  -1.987  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.016  -2.302  -0.454  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.878  -3.908  -1.165  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.055  -3.220   0.467  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.358  -2.017  -2.013  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.176  -3.180  -0.943  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.647  -0.731  -0.414  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.998  -1.674   0.950  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.547   3.492   1.213  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    6                                       
CONECT    3    4    2    5                                            
CONECT    4    3   30   31   32                                       
CONECT    5    3   12   12                                            
CONECT    6    2    7    7   11                                       
CONECT    7    6    6    8   33                                       
CONECT    8    7    9    9   34                                       
CONECT    9    8    8   10   35                                       
CONECT   10   11   11    9   36                                       
CONECT   11    6   12   10   10                                       
CONECT   12    5    5   11   13                                       
CONECT   13   12   14   37   38                                       
CONECT   14   13   16   15   15                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   39                                            
CONECT   17   16   18   18   19                                       
CONECT   18   17   17   29   40                                       
CONECT   19   17   20   20   41                                       
CONECT   20   19   19   28   21                                       
CONECT   21   20   26   26   22                                       
CONECT   22   21   23   42   43                                       
CONECT   23   22   24   44   45                                       
CONECT   24   25   23   46   47                                       
CONECT   25   26   24   48   49                                       
CONECT   26   27   21   21   25                                       
CONECT   27   28   26                                                 
CONECT   28   29   29   20   27                                       
CONECT   29   18   28   28   50                                       
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   16                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   29                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
