COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.186   4.464   0.722  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.078   3.139   0.012  1.00  0.00           C  
HETATM    3  O   UNL     1      -1.631   3.089  -1.114  1.00  0.00           O  
HETATM    4  N   UNL     1      -2.478   2.010   0.629  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.374   0.722  -0.061  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.401  -0.255   0.519  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.720   0.238   0.274  1.00  0.00           O  
HETATM    8  C   UNL     1      -3.230  -1.620  -0.155  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.135  -2.558   0.430  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.791  -2.103   0.047  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.596  -3.437  -0.675  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.290  -3.945  -0.391  1.00  0.00           O  
HETATM   13  O   UNL     1      -0.886  -1.135  -0.488  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.968   0.148   0.137  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.007   1.027  -0.451  1.00  0.00           O  
HETATM   16  C   UNL     1       1.304   0.717  -0.273  1.00  0.00           C  
HETATM   17  C   UNL     1       2.290   1.527  -0.817  1.00  0.00           C  
HETATM   18  C   UNL     1       3.622   1.209  -0.634  1.00  0.00           C  
HETATM   19  C   UNL     1       3.972   0.086   0.091  1.00  0.00           C  
HETATM   20  N   UNL     1       5.400  -0.252   0.287  1.00  0.00           N1+
HETATM   21  O   UNL     1       6.265   0.460  -0.191  1.00  0.00           O1-
HETATM   22  O   UNL     1       5.710  -1.242   0.925  1.00  0.00           O  
HETATM   23  C   UNL     1       2.991  -0.723   0.635  1.00  0.00           C  
HETATM   24  C   UNL     1       1.658  -0.407   0.459  1.00  0.00           C  
HETATM   25  H   UNL     1      -1.817   5.256   0.070  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.228   4.657   0.974  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.590   4.437   1.634  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.836   2.050   1.530  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.564   0.862  -1.125  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.244  -0.355   1.593  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.423  -0.333   0.615  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.439  -1.528  -1.221  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.081  -3.446   0.050  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.598  -2.233   1.111  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.345  -4.150  -0.331  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.702  -3.288  -1.750  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.097  -4.792  -0.817  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.763   0.047   1.203  1.00  0.00           H  
HETATM   39  H   UNL     1       2.016   2.405  -1.384  1.00  0.00           H  
HETATM   40  H   UNL     1       4.390   1.839  -1.058  1.00  0.00           H  
HETATM   41  H   UNL     1       3.268  -1.601   1.200  1.00  0.00           H  
HETATM   42  H   UNL     1       0.892  -1.037   0.887  1.00  0.00           H  
CONECT    1    2   25   26   27                                       
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   28                                            
CONECT    5    4    6   14   29                                       
CONECT    6    5    7    8   30                                       
CONECT    7    6   31                                                 
CONECT    8    6    9   10   32                                       
CONECT    9    8   33                                                 
CONECT   10    8   11   13   34                                       
CONECT   11   10   12   35   36                                       
CONECT   12   11   37                                                 
CONECT   13   10   14                                                 
CONECT   14    5   13   15   38                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   17   24                                       
CONECT   17   16   16   18   39                                       
CONECT   18   17   19   19   40                                       
CONECT   19   18   18   20   23                                       
CONECT   20   19   21   22   22                                       
CONECT   21   20                                                      
CONECT   22   20   20                                                 
CONECT   23   19   24   24   41                                       
CONECT   24   16   23   23   42                                       
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   14                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   23                                                      
CONECT   42   24                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
