COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.564   0.270   1.285  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.032   1.414   0.143  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.100   0.399  -0.146  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.516  -0.928  -0.173  1.00  0.00           C  
HETATM    5  C   UNL     1       0.313   0.742  -0.418  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.358   1.077   0.402  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.753  -0.247   0.371  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.838  -1.244   0.082  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.604   2.829   0.176  1.00  0.00           C  
HETATM   10  N   UNL     1       4.312  -1.105  -0.436  1.00  0.00           N  
HETATM   11  N   UNL     1       1.297   0.169   0.303  1.00  0.00           N  
HETATM   12  C   UNL     1       4.555  -0.783   0.840  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.276  -2.658   0.051  1.00  0.00           N1+
HETATM   14  C   UNL     1       2.696   0.508   0.032  1.00  0.00           C  
HETATM   15  C   UNL     1       3.285  -0.438  -0.992  1.00  0.00           C  
HETATM   16  O   UNL     1       5.430  -1.260   1.530  1.00  0.00           O  
HETATM   17  O   UNL     1       2.895  -0.572  -2.131  1.00  0.00           O  
HETATM   18  O   UNL     1       0.587   1.541  -1.292  1.00  0.00           O  
HETATM   19  O   UNL     1      -2.473  -3.539  -0.198  1.00  0.00           O1-
HETATM   20  O   UNL     1      -4.439  -2.940   0.275  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.428   3.111   0.060  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.518   3.806   0.334  1.00  0.00           O  
HETATM   23  H   UNL     1       2.954  -0.101   2.109  1.00  0.00           H  
HETATM   24  H   UNL     1       4.081   1.186   1.573  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.807  -1.712  -0.394  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.077   1.850   0.628  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.782  -0.505   0.573  1.00  0.00           H  
HETATM   28  H   UNL     1       4.833  -1.764  -0.921  1.00  0.00           H  
HETATM   29  H   UNL     1       1.078  -0.469   1.000  1.00  0.00           H  
HETATM   30  H   UNL     1       2.781   1.541  -0.303  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.190   4.715   0.350  1.00  0.00           H  
CONECT    1   12   14   23   24                                       
CONECT    2    3    3    6    9                                       
CONECT    3    4    5    2    2                                       
CONECT    4    8    8    3   25                                       
CONECT    5    3   11   18   18                                       
CONECT    6    7    7    2   26                                       
CONECT    7    8    6    6   27                                       
CONECT    8   13    4    4    7                                       
CONECT    9    2   21   21   22                                       
CONECT   10   15   12   28                                            
CONECT   11   14    5   29                                            
CONECT   12   10   16   16    1                                       
CONECT   13   20   20   19    8                                       
CONECT   14   15   11    1   30                                       
CONECT   15   17   17   10   14                                       
CONECT   16   12   12                                                 
CONECT   17   15   15                                                 
CONECT   18    5    5                                                 
CONECT   19   13                                                      
CONECT   20   13   13                                                 
CONECT   21    9    9                                                 
CONECT   22    9   31                                                 
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    4                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28   10                                                      
CONECT   29   11                                                      
CONECT   30   14                                                      
CONECT   31   22                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
