COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.638  -0.206   0.396  1.00  0.00           C  
HETATM    2  C   UNL     1       2.038   0.080   0.025  1.00  0.00           C  
HETATM    3  C   UNL     1       3.628   1.023  -1.514  1.00  0.00           C  
HETATM    4  C   UNL     1       4.667   0.624  -0.684  1.00  0.00           C  
HETATM    5  C   UNL     1       6.578   0.186   0.311  1.00  0.00           C  
HETATM    6  C   UNL     1       4.388  -0.046   0.510  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.648  -3.952  -0.216  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.281  -2.541   0.250  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.123  -1.517  -0.514  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.756  -0.106  -0.048  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.367   0.183  -0.413  1.00  0.00           N  
HETATM   12  O   UNL     1       0.392  -0.798   1.430  1.00  0.00           O  
HETATM   13  C   UNL     1       2.323   0.754  -1.166  1.00  0.00           C  
HETATM   14  O   UNL     1       6.013   0.749  -0.768  1.00  0.00           O  
HETATM   15  O   UNL     1       7.773   0.134   0.531  1.00  0.00           O  
HETATM   16  N   UNL     1       5.617  -0.310   1.115  1.00  0.00           N  
HETATM   17  C   UNL     1       3.080  -0.318   0.865  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.682   0.910  -0.719  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.622   0.745  -2.137  1.00  0.00           O  
HETATM   20  C   UNL     1      -4.096   0.689  -0.247  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.959  -0.094  -0.991  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.256  -0.296  -0.558  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.690   0.284   0.619  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.827   1.066   1.363  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.529   1.265   0.933  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.586   2.113   1.747  1.00  0.00           C  
HETATM   27  H   UNL     1       3.844   1.544  -2.435  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.705  -4.134  -0.024  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.452  -4.044  -1.285  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.049  -4.681   0.328  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.478  -2.449   1.318  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.224  -2.359   0.058  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.926  -1.609  -1.582  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.180  -1.699  -0.322  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.868  -0.041   1.034  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.171   0.655  -1.238  1.00  0.00           H  
HETATM   37  H   UNL     1       1.518   1.066  -1.814  1.00  0.00           H  
HETATM   38  H   UNL     1       5.755  -0.768   1.959  1.00  0.00           H  
HETATM   39  H   UNL     1       2.865  -0.835   1.788  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.365   1.919  -0.457  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.891  -0.132  -2.443  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.620  -0.547  -1.911  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.930  -0.908  -1.140  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.704   0.126   0.957  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.167   1.520   2.283  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.662   3.152   1.425  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.851   2.040   2.802  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.565   1.762   1.603  1.00  0.00           H  
CONECT    1    2   11   12   12                                       
CONECT    2   13   13   17    1                                       
CONECT    3    4    4   13   27                                       
CONECT    4   14    3    3    6                                       
CONECT    5   15   15   14   16                                       
CONECT    6   16    4   17   17                                       
CONECT    7    8   28   29   30                                       
CONECT    8    9    7   31   32                                       
CONECT    9   10    8   33   34                                       
CONECT   10   11   18    9   35                                       
CONECT   11    1   10   36                                            
CONECT   12    1    1                                                 
CONECT   13    3    2    2   37                                       
CONECT   14    5    4                                                 
CONECT   15    5    5                                                 
CONECT   16    5    6   38                                            
CONECT   17    6    6    2   39                                       
CONECT   18   19   10   20   40                                       
CONECT   19   18   41                                                 
CONECT   20   18   21   21   25                                       
CONECT   21   20   20   22   42                                       
CONECT   22   21   23   23   43                                       
CONECT   23   22   22   24   44                                       
CONECT   24   25   25   23   45                                       
CONECT   25   20   26   24   24                                       
CONECT   26   25   46   47   48                                       
CONECT   27    3                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
