COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.487  -1.358   1.824  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.910   0.542   0.287  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.641   1.849   0.047  1.00  0.00           C  
HETATM    4  C   UNL     1       0.698   2.472   0.122  1.00  0.00           C  
HETATM    5  C   UNL     1       1.123   3.343  -0.882  1.00  0.00           C  
HETATM    6  C   UNL     1       2.373   3.921  -0.806  1.00  0.00           C  
HETATM    7  C   UNL     1       3.927  -0.856  -1.115  1.00  0.00           C  
HETATM    8  O   UNL     1       2.638  -0.735  -0.511  1.00  0.00           O  
HETATM    9  C   UNL     1       1.633  -1.476  -1.048  1.00  0.00           C  
HETATM   10  C   UNL     1       1.883  -2.302  -2.135  1.00  0.00           C  
HETATM   11  C   UNL     1       0.860  -3.054  -2.679  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.412  -2.984  -2.142  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.664  -2.162  -1.059  1.00  0.00           C  
HETATM   14  C   UNL     1       0.358  -1.412  -0.507  1.00  0.00           C  
HETATM   15  C   UNL     1       0.084  -0.521   0.677  1.00  0.00           C  
HETATM   16  N   UNL     1       0.524  -2.313   2.283  1.00  0.00           N1+
HETATM   17  O   UNL     1       0.718  -2.469   3.475  1.00  0.00           O1-
HETATM   18  O   UNL     1       1.171  -2.951   1.472  1.00  0.00           O  
HETATM   19  C   UNL     1       3.205   3.639   0.262  1.00  0.00           C  
HETATM   20  C   UNL     1       2.790   2.776   1.261  1.00  0.00           C  
HETATM   21  C   UNL     1       1.540   2.196   1.200  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.805   2.507  -0.277  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.862   1.624  -0.252  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.225   1.762  -0.494  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.054   0.665  -0.387  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.543  -0.577  -0.039  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.208  -0.736   0.204  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.349   0.361   0.101  1.00  0.00           C  
HETATM   29  H   UNL     1      -0.768  -0.702   2.647  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.367  -1.899   1.475  1.00  0.00           H  
HETATM   31  H   UNL     1       0.474   3.564  -1.717  1.00  0.00           H  
HETATM   32  H   UNL     1       2.703   4.595  -1.583  1.00  0.00           H  
HETATM   33  H   UNL     1       4.636  -0.214  -0.592  1.00  0.00           H  
HETATM   34  H   UNL     1       4.262  -1.891  -1.054  1.00  0.00           H  
HETATM   35  H   UNL     1       3.868  -0.554  -2.161  1.00  0.00           H  
HETATM   36  H   UNL     1       2.877  -2.357  -2.555  1.00  0.00           H  
HETATM   37  H   UNL     1       1.054  -3.697  -3.525  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.211  -3.572  -2.569  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.658  -2.109  -0.641  1.00  0.00           H  
HETATM   40  H   UNL     1       1.013  -0.050   0.999  1.00  0.00           H  
HETATM   41  H   UNL     1       4.185   4.090   0.315  1.00  0.00           H  
HETATM   42  H   UNL     1       3.444   2.560   2.093  1.00  0.00           H  
HETATM   43  H   UNL     1       1.217   1.523   1.980  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.872   3.451  -0.490  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.633   2.724  -0.765  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.111   0.775  -0.576  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.207  -1.426   0.041  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.818  -1.706   0.474  1.00  0.00           H  
CONECT    1   16   15   29   30                                       
CONECT    2   15    3    3   28                                       
CONECT    3    4    2    2   22                                       
CONECT    4   21   21    5    3                                       
CONECT    5    6    6    4   31                                       
CONECT    6   19    5    5   32                                       
CONECT    7    8   33   34   35                                       
CONECT    8    7    9                                                 
CONECT    9    8   14   14   10                                       
CONECT   10    9   11   11   36                                       
CONECT   11   10   10   12   37                                       
CONECT   12   13   13   11   38                                       
CONECT   13   14   12   12   39                                       
CONECT   14   15    9    9   13                                       
CONECT   15    1    2   14   40                                       
CONECT   16   18   18   17    1                                       
CONECT   17   16                                                      
CONECT   18   16   16                                                 
CONECT   19   20   20    6   41                                       
CONECT   20   19   19   21   42                                       
CONECT   21   20    4    4   43                                       
CONECT   22    3   23   44                                            
CONECT   23   22   28   24   24                                       
CONECT   24   23   23   25   45                                       
CONECT   25   26   26   24   46                                       
CONECT   26   27   25   25   47                                       
CONECT   27   28   28   26   48                                       
CONECT   28    2   27   27   23                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   15                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
