COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.787   1.508   0.229  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.549   3.181  -1.467  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.593   1.947  -1.281  1.00  0.00           C  
HETATM    4  C   UNL     1       4.114   0.633   0.123  1.00  0.00           C  
HETATM    5  C   UNL     1       6.686   0.407   0.655  1.00  0.00           C  
HETATM    6  C   UNL     1       6.163   1.409  -1.343  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.545  -5.319  -0.652  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.385  -3.924  -0.234  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.167  -3.349  -0.257  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.200  -3.987  -0.624  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.006  -1.938   0.166  1.00  0.00           C  
HETATM   12  C   UNL     1       0.256  -1.350   0.140  1.00  0.00           C  
HETATM   13  C   UNL     1       0.390  -0.018   0.542  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.757   0.666   0.954  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.976   0.007   0.950  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.067  -1.245   0.561  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.217   0.739   1.392  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.861   1.709   2.521  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.028   2.479  -0.397  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.831   2.913  -1.911  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.069   1.241  -0.214  1.00  0.00           C  
HETATM   22  C   UNL     1       1.712   0.650   0.533  1.00  0.00           C  
HETATM   23  O   UNL     1       1.810   1.809   0.885  1.00  0.00           O  
HETATM   24  N   UNL     1       2.806  -0.027   0.132  1.00  0.00           N  
HETATM   25  C   UNL     1       5.354  -0.255   0.241  1.00  0.00           C  
HETATM   26  O   UNL     1       7.267   0.873  -0.582  1.00  0.00           O  
HETATM   27  C   UNL     1       5.002   0.419  -1.105  1.00  0.00           C  
HETATM   28  H   UNL     1      -2.954   3.935  -1.960  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.594   1.737  -1.628  1.00  0.00           H  
HETATM   30  H   UNL     1       4.149   1.611   0.603  1.00  0.00           H  
HETATM   31  H   UNL     1       6.500   1.246   1.326  1.00  0.00           H  
HETATM   32  H   UNL     1       7.340  -0.322   1.133  1.00  0.00           H  
HETATM   33  H   UNL     1       5.897   2.401  -0.979  1.00  0.00           H  
HETATM   34  H   UNL     1       6.417   1.448  -2.403  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.221  -5.427  -1.688  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.938  -5.961  -0.014  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.593  -5.607  -0.567  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.157  -3.414   0.059  1.00  0.00           H  
HETATM   39  H   UNL     1       1.117  -1.915  -0.185  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.694   1.696   1.272  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.954   0.020   1.750  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.124   2.427   2.164  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.759   2.238   2.841  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.448   1.152   3.362  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.026   2.688  -0.050  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.236   3.458  -2.751  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.661   0.479   0.272  1.00  0.00           H  
HETATM   48  H   UNL     1       2.728  -0.952  -0.149  1.00  0.00           H  
HETATM   49  H   UNL     1       5.239  -1.324   0.421  1.00  0.00           H  
HETATM   50  H   UNL     1       4.615  -0.130  -1.964  1.00  0.00           H  
CONECT    1   17   19   19   21                                       
CONECT    2   19   20   20   28                                       
CONECT    3   21   21   20   29                                       
CONECT    4   27   24   25   30                                       
CONECT    5   26   25   31   32                                       
CONECT    6   27   26   33   34                                       
CONECT    7    8   35   36   37                                       
CONECT    8    7    9   38                                            
CONECT    9   10   10    8   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   12   16                                       
CONECT   12   11   11   13   39                                       
CONECT   13   12   22   14   14                                       
CONECT   14   13   13   15   40                                       
CONECT   15   16   16   14   17                                       
CONECT   16   11   15   15                                            
CONECT   17   18   15    1   41                                       
CONECT   18   17   42   43   44                                       
CONECT   19    1    1    2   45                                       
CONECT   20    2    2    3   46                                       
CONECT   21    1    3    3   47                                       
CONECT   22   13   24   23   23                                       
CONECT   23   22   22                                                 
CONECT   24   22    4   48                                            
CONECT   25   27    4    5   49                                       
CONECT   26    6    5                                                 
CONECT   27    6    4   25   50                                       
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   27                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
