COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -2.974  -1.043   0.812  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.509  -0.904   1.164  1.00  0.00           C  
HETATM    3  O   UNL     1      -1.062  -0.808   2.287  1.00  0.00           O  
HETATM    4  N   UNL     1      -0.784  -0.904   0.039  1.00  0.00           N  
HETATM    5  C   UNL     1       0.611  -0.790   0.036  1.00  0.00           C  
HETATM    6  C   UNL     1       1.400  -1.918   0.097  1.00  0.00           C  
HETATM    7  C   UNL     1       2.788  -1.816   0.096  1.00  0.00           C  
HETATM    8  C   UNL     1       3.404  -0.603   0.035  1.00  0.00           C  
HETATM    9  N   UNL     1       4.882  -0.521   0.035  1.00  0.00           N1+
HETATM   10  O   UNL     1       5.442   0.379   0.634  1.00  0.00           O1-
HETATM   11  O   UNL     1       5.538  -1.352  -0.567  1.00  0.00           O  
HETATM   12  C   UNL     1       2.635   0.572  -0.023  1.00  0.00           C  
HETATM   13  C   UNL     1       3.243   1.837  -0.094  1.00  0.00           C  
HETATM   14  C   UNL     1       2.467   2.954  -0.155  1.00  0.00           C  
HETATM   15  C   UNL     1       1.077   2.863  -0.154  1.00  0.00           C  
HETATM   16  C   UNL     1       0.454   1.654  -0.092  1.00  0.00           C  
HETATM   17  C   UNL     1       1.221   0.480  -0.028  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.504  -1.016  -1.085  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.053  -1.019  -2.210  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.970  -1.121  -0.727  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.721   0.114  -1.279  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.165   0.097  -0.772  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.169   0.150   0.756  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.729   0.206   1.270  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.037   1.453   0.716  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.031   1.396  -0.813  1.00  0.00           C  
HETATM   27  H   UNL     1      -3.402  -1.944   1.252  1.00  0.00           H  
HETATM   28  H   UNL     1       0.936  -2.892   0.146  1.00  0.00           H  
HETATM   29  H   UNL     1       3.387  -2.714   0.144  1.00  0.00           H  
HETATM   30  H   UNL     1       4.319   1.923  -0.095  1.00  0.00           H  
HETATM   31  H   UNL     1       2.937   3.925  -0.205  1.00  0.00           H  
HETATM   32  H   UNL     1       0.485   3.765  -0.204  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.625   1.599  -0.093  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.413  -2.047  -1.094  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.719   0.076  -2.369  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.656  -0.818  -1.105  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.699   0.961  -1.168  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.661  -0.739   1.150  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.707   1.039   1.087  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.733   0.249   2.359  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.574   2.343   1.045  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.011   1.492   1.082  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.002   1.406  -1.172  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.563   2.261  -1.210  1.00  0.00           H  
CONECT    1    2   20   24   27                                       
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   18                                            
CONECT    5    4    6    6   17                                       
CONECT    6    5    5    7   28                                       
CONECT    7    6    8    8   29                                       
CONECT    8    7    7    9   12                                       
CONECT    9    8   10   11   11                                       
CONECT   10    9                                                      
CONECT   11    9    9                                                 
CONECT   12    8   13   13   17                                       
CONECT   13   12   12   14   30                                       
CONECT   14   13   15   15   31                                       
CONECT   15   14   14   16   32                                       
CONECT   16   15   17   17   33                                       
CONECT   17    5   12   16   16                                       
CONECT   18    4   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20    1   18   21   34                                       
CONECT   21   20   22   26   35                                       
CONECT   22   21   23   36   37                                       
CONECT   23   22   24   38   39                                       
CONECT   24    1   23   25   40                                       
CONECT   25   24   26   41   42                                       
CONECT   26   21   25   43   44                                       
CONECT   27    1                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30   13                                                      
CONECT   31   14                                                      
CONECT   32   15                                                      
CONECT   33   16                                                      
CONECT   34   20                                                      
CONECT   35   21                                                      
CONECT   36   22                                                      
CONECT   37   22                                                      
CONECT   38   23                                                      
CONECT   39   23                                                      
CONECT   40   24                                                      
CONECT   41   25                                                      
CONECT   42   25                                                      
CONECT   43   26                                                      
CONECT   44   26                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
