COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.635   0.250  -1.703  1.00  0.00           C  
HETATM    2  C   UNL     1       2.662   0.475  -0.777  1.00  0.00           C  
HETATM    3  C   UNL     1       2.660   0.252  -3.280  1.00  0.00           C  
HETATM    4  C   UNL     1       6.060   0.330   0.391  1.00  0.00           C  
HETATM    5  C   UNL     1       8.450   0.262   1.787  1.00  0.00           C  
HETATM    6  C   UNL     1       8.453   0.138   0.410  1.00  0.00           C  
HETATM    7  C   UNL     1       1.172   0.599  -0.590  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.838  -1.406   0.496  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.261  -2.628   0.516  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.881  -2.780   0.346  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.091  -1.655   0.152  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.744  -0.345   0.134  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.417   1.050   0.245  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.635  -1.776  -0.031  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.793   1.649   0.379  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.818   2.609   1.570  1.00  0.00           C  
HETATM   17  N   UNL     1       3.294   0.324  -1.961  1.00  0.00           N  
HETATM   18  C   UNL     1       4.779   0.360  -0.357  1.00  0.00           C  
HETATM   19  N   UNL     1       3.549   0.501   0.177  1.00  0.00           N  
HETATM   20  C   UNL     1       6.063   0.454   1.779  1.00  0.00           C  
HETATM   21  C   UNL     1       7.257   0.419   2.470  1.00  0.00           C  
HETATM   22  C   UNL     1       7.265   0.171  -0.292  1.00  0.00           C  
HETATM   23  C   UNL     1       0.564  -0.792  -0.399  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.885  -0.672  -0.218  1.00  0.00           N  
HETATM   25  N   UNL     1      -5.105  -0.275   0.309  1.00  0.00           N  
HETATM   26  N   UNL     1      -3.311   0.890  -0.021  1.00  0.00           N  
HETATM   27  N   UNL     1      -4.304   1.706   0.046  1.00  0.00           N  
HETATM   28  O   UNL     1      -1.108  -2.873  -0.013  1.00  0.00           O  
HETATM   29  C   UNL     1      -7.143   2.414  -0.899  1.00  0.00           C  
HETATM   30  H   UNL     1       5.425   0.125  -2.429  1.00  0.00           H  
HETATM   31  H   UNL     1       2.429  -0.786  -3.516  1.00  0.00           H  
HETATM   32  H   UNL     1       1.740   0.837  -3.273  1.00  0.00           H  
HETATM   33  H   UNL     1       3.339   0.654  -4.032  1.00  0.00           H  
HETATM   34  H   UNL     1       9.382   0.235   2.332  1.00  0.00           H  
HETATM   35  H   UNL     1       9.387   0.016  -0.118  1.00  0.00           H  
HETATM   36  H   UNL     1       0.965   1.209   0.289  1.00  0.00           H  
HETATM   37  H   UNL     1       0.733   1.069  -1.470  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.907  -1.326   0.626  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.876  -3.502   0.668  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.435  -3.764   0.365  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.522   0.854   0.539  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.089   3.404   1.411  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.813   3.043   1.667  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.568   2.065   2.481  1.00  0.00           H  
HETATM   45  H   UNL     1       5.132   0.577   2.313  1.00  0.00           H  
HETATM   46  H   UNL     1       7.260   0.515   3.546  1.00  0.00           H  
HETATM   47  H   UNL     1       7.269   0.074  -1.367  1.00  0.00           H  
HETATM   48  H   UNL     1       0.771  -1.403  -1.278  1.00  0.00           H  
HETATM   49  H   UNL     1       1.003  -1.263   0.481  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.304   0.203  -0.232  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.139   2.847  -0.802  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.415   3.208  -1.058  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.126   1.730  -1.747  1.00  0.00           H  
CONECT    1   17   18   18   30                                       
CONECT    2   17   19   19    7                                       
CONECT    3   17   31   32   33                                       
CONECT    4   18   20   20   22                                       
CONECT    5   21   21    6   34                                       
CONECT    6    5   22   22   35                                       
CONECT    7    2   23   36   37                                       
CONECT    8    9    9   25   38                                       
CONECT    9    8    8   10   39                                       
CONECT   10    9   11   11   40                                       
CONECT   11   10   10   12   14                                       
CONECT   12   11   25   26   26                                       
CONECT   13   25   27   27   15                                       
CONECT   14   24   11   28   28                                       
CONECT   15   13   16   29   41                                       
CONECT   16   15   42   43   44                                       
CONECT   17    1    2    3                                            
CONECT   18    1    1   19    4                                       
CONECT   19   18    2    2                                            
CONECT   20    4    4   21   45                                       
CONECT   21   20    5    5   46                                       
CONECT   22    4    6    6   47                                       
CONECT   23    7   24   48   49                                       
CONECT   24   23   14   50                                            
CONECT   25    8   12   13                                            
CONECT   26   12   12   27                                            
CONECT   27   26   13   13                                            
CONECT   28   14   14                                                 
CONECT   29   15   51   52   53                                       
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
