COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.274   2.003  -0.934  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.264   1.051  -0.741  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.943  -0.214  -0.283  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.260  -0.737  -0.394  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.007   0.385   0.125  1.00  0.00           C  
HETATM    6  C   UNL     1       1.404   0.266   0.461  1.00  0.00           C  
HETATM    7  C   UNL     1       2.489  -0.821   0.307  1.00  0.00           C  
HETATM    8  C   UNL     1       3.300   0.859   1.813  1.00  0.00           C  
HETATM    9  C   UNL     1       1.752   0.917   1.825  1.00  0.00           C  
HETATM   10  C   UNL     1       4.801  -0.328   0.414  1.00  0.00           C  
HETATM   11  C   UNL     1       5.033  -1.202  -0.640  1.00  0.00           C  
HETATM   12  C   UNL     1       6.194  -1.097  -1.380  1.00  0.00           C  
HETATM   13  C   UNL     1       7.126  -0.123  -1.072  1.00  0.00           C  
HETATM   14  C   UNL     1       6.899   0.749  -0.023  1.00  0.00           C  
HETATM   15  C   UNL     1       5.739   0.650   0.721  1.00  0.00           C  
HETATM   16  C   UNL     1       8.393  -0.012  -1.881  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.956   1.700  -0.672  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.616   0.430  -0.210  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.613  -0.537  -0.012  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.993  -1.684   0.444  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.657  -1.490   0.544  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.345  -0.219   0.161  1.00  0.00           C  
HETATM   23  O   UNL     1      -6.921  -1.139  -0.096  1.00  0.00           O  
HETATM   24  N   UNL     1       0.069  -0.337   0.496  1.00  0.00           N  
HETATM   25  O   UNL     1      -0.869   1.538  -0.240  1.00  0.00           O  
HETATM   26  N   UNL     1       3.625  -0.428   1.161  1.00  0.00           N  
HETATM   27  H   UNL     1      -5.537   2.986  -1.296  1.00  0.00           H  
HETATM   28  H   UNL     1      -7.293   1.299  -0.950  1.00  0.00           H  
HETATM   29  H   UNL     1      -8.533   0.109   0.236  1.00  0.00           H  
HETATM   30  H   UNL     1      -8.328  -0.447  -1.442  1.00  0.00           H  
HETATM   31  H   UNL     1      -8.939  -1.567  -0.202  1.00  0.00           H  
HETATM   32  H   UNL     1       1.474   0.997  -0.345  1.00  0.00           H  
HETATM   33  H   UNL     1       2.097  -1.785   0.632  1.00  0.00           H  
HETATM   34  H   UNL     1       2.808  -0.882  -0.734  1.00  0.00           H  
HETATM   35  H   UNL     1       3.707   1.690   1.236  1.00  0.00           H  
HETATM   36  H   UNL     1       3.690   0.877   2.830  1.00  0.00           H  
HETATM   37  H   UNL     1       1.401   1.948   1.867  1.00  0.00           H  
HETATM   38  H   UNL     1       1.346   0.334   2.651  1.00  0.00           H  
HETATM   39  H   UNL     1       4.306  -1.964  -0.881  1.00  0.00           H  
HETATM   40  H   UNL     1       6.376  -1.777  -2.199  1.00  0.00           H  
HETATM   41  H   UNL     1       7.629   1.509   0.215  1.00  0.00           H  
HETATM   42  H   UNL     1       5.562   1.331   1.539  1.00  0.00           H  
HETATM   43  H   UNL     1       8.230   0.666  -2.719  1.00  0.00           H  
HETATM   44  H   UNL     1       9.193   0.375  -1.251  1.00  0.00           H  
HETATM   45  H   UNL     1       8.671  -0.996  -2.258  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.188   2.444  -0.824  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.451  -2.511   0.661  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.945  -2.231   0.877  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.041  -1.256   0.787  1.00  0.00           H  
CONECT    1    2    2   17   27                                       
CONECT    2    1    1    3   28                                       
CONECT    3    2   23   19   19                                       
CONECT    4   23   29   30   31                                       
CONECT    5   24   22   25   25                                       
CONECT    6    9   24    7   32                                       
CONECT    7   26    6   33   34                                       
CONECT    8    9   26   35   36                                       
CONECT    9    8    6   37   38                                       
CONECT   10   26   11   11   15                                       
CONECT   11   10   10   12   39                                       
CONECT   12   11   13   13   40                                       
CONECT   13   12   12   14   16                                       
CONECT   14   15   15   13   41                                       
CONECT   15   10   14   14   42                                       
CONECT   16   13   43   44   45                                       
CONECT   17    1   18   18   46                                       
CONECT   18   17   17   19   22                                       
CONECT   19    3    3   18   20                                       
CONECT   20   19   21   47                                            
CONECT   21   22   22   20   48                                       
CONECT   22   18    5   21   21                                       
CONECT   23    4    3                                                 
CONECT   24    6    5   49                                            
CONECT   25    5    5                                                 
CONECT   26    8    7   10                                            
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   24                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
