COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.265   1.022  -1.673  1.00  0.00           O  
HETATM    2  C   UNL     1       4.259   0.964  -0.982  1.00  0.00           C  
HETATM    3  C   UNL     1       5.475   1.780  -1.339  1.00  0.00           C  
HETATM    4  N   UNL     1       4.275   0.173   0.110  1.00  0.00           N  
HETATM    5  C   UNL     1       3.112  -0.494   0.508  1.00  0.00           C  
HETATM    6  C   UNL     1       3.198  -1.745   1.105  1.00  0.00           C  
HETATM    7  C   UNL     1       2.051  -2.408   1.501  1.00  0.00           C  
HETATM    8  C   UNL     1       0.813  -1.831   1.305  1.00  0.00           C  
HETATM    9  C   UNL     1       0.716  -0.574   0.705  1.00  0.00           C  
HETATM   10  C   UNL     1       1.872   0.097   0.312  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.612   0.047   0.493  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.668  -0.673  -0.120  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.496  -1.997  -0.547  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.535  -2.656  -1.132  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.767  -2.031  -1.311  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.967  -0.747  -0.907  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.918  -0.035  -0.300  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.088   1.229   0.107  1.00  0.00           N1+
HETATM   19  O   UNL     1      -4.347   1.850  -0.082  1.00  0.00           O1-
HETATM   20  C   UNL     1      -2.120   1.907   0.676  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.378   3.327   1.111  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.864   1.352   0.894  1.00  0.00           C  
HETATM   23  H   UNL     1       5.273   2.355  -2.243  1.00  0.00           H  
HETATM   24  H   UNL     1       5.710   2.460  -0.521  1.00  0.00           H  
HETATM   25  H   UNL     1       6.321   1.114  -1.513  1.00  0.00           H  
HETATM   26  H   UNL     1       5.094   0.067   0.620  1.00  0.00           H  
HETATM   27  H   UNL     1       4.164  -2.202   1.261  1.00  0.00           H  
HETATM   28  H   UNL     1       2.124  -3.381   1.965  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.081  -2.351   1.615  1.00  0.00           H  
HETATM   30  H   UNL     1       1.803   1.069  -0.152  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.545  -2.491  -0.414  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.401  -3.676  -1.462  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.576  -2.574  -1.777  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.928  -0.277  -1.053  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.745   3.331   2.137  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.452   3.899   1.054  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.125   3.777   0.456  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.088   1.934   1.368  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   23   24   25                                       
CONECT    4    5    2   26                                            
CONECT    5    6    6   10    4                                       
CONECT    6    7    5    5   27                                       
CONECT    7    8    8    6   28                                       
CONECT    8    7    7    9   29                                       
CONECT    9    8   11   10   10                                       
CONECT   10    9    9    5   30                                       
CONECT   11   12    9   22   22                                       
CONECT   12   13   17   17   11                                       
CONECT   13   14   14   12   31                                       
CONECT   14   15   13   13   32                                       
CONECT   15   14   16   16   33                                       
CONECT   16   15   15   17   34                                       
CONECT   17   16   12   12   18                                       
CONECT   18   17   19   20   20                                       
CONECT   19   18                                                      
CONECT   20   18   18   22   21                                       
CONECT   21   20   35   36   37                                       
CONECT   22   11   11   20   38                                       
CONECT   23    3                                                      
CONECT   24    3                                                      
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30   10                                                      
CONECT   31   13                                                      
CONECT   32   14                                                      
CONECT   33   15                                                      
CONECT   34   16                                                      
CONECT   35   21                                                      
CONECT   36   21                                                      
CONECT   37   21                                                      
CONECT   38   22                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
