COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.680   1.363   0.225  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.737   0.099  -0.091  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.940  -0.468  -0.440  1.00  0.00           N  
HETATM    4  N   UNL     1      -7.079   0.335  -0.579  1.00  0.00           N1+
HETATM    5  O   UNL     1      -6.972   1.481  -0.978  1.00  0.00           O1-
HETATM    6  O   UNL     1      -8.177  -0.112  -0.300  1.00  0.00           O  
HETATM    7  N   UNL     1      -3.595  -0.665  -0.077  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.313  -0.061   0.294  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.211  -1.120   0.230  1.00  0.00           C  
HETATM   10  C   UNL     1       0.127  -0.489   0.617  1.00  0.00           C  
HETATM   11  C   UNL     1       1.229  -1.549   0.553  1.00  0.00           C  
HETATM   12  N   UNL     1       0.977  -2.579   1.569  1.00  0.00           N  
HETATM   13  C   UNL     1       2.564  -0.902   0.815  1.00  0.00           C  
HETATM   14  O   UNL     1       3.072  -0.981   1.913  1.00  0.00           O  
HETATM   15  N   UNL     1       3.195  -0.235  -0.172  1.00  0.00           N  
HETATM   16  C   UNL     1       4.493   0.394   0.082  1.00  0.00           C  
HETATM   17  C   UNL     1       4.281   1.764   0.675  1.00  0.00           C  
HETATM   18  O   UNL     1       3.155   2.173   0.866  1.00  0.00           O  
HETATM   19  N   UNL     1       5.341   2.532   0.993  1.00  0.00           N  
HETATM   20  C   UNL     1       5.264   0.522  -1.233  1.00  0.00           C  
HETATM   21  C   UNL     1       5.589  -0.872  -1.772  1.00  0.00           C  
HETATM   22  N   UNL     1       6.330  -0.749  -3.035  1.00  0.00           N  
HETATM   23  H   UNL     1      -5.496   1.879   0.309  1.00  0.00           H  
HETATM   24  H   UNL     1      -6.000  -1.425  -0.589  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.637  -1.605  -0.313  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.378   0.335   1.308  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.079   0.749  -0.397  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.146  -1.516  -0.784  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.445  -1.930   0.921  1.00  0.00           H  
HETATM   30  H   UNL     1       0.062  -0.093   1.631  1.00  0.00           H  
HETATM   31  H   UNL     1       0.361   0.321  -0.074  1.00  0.00           H  
HETATM   32  H   UNL     1       1.235  -2.007  -0.436  1.00  0.00           H  
HETATM   33  H   UNL     1       0.980  -2.112   2.463  1.00  0.00           H  
HETATM   34  H   UNL     1       0.036  -2.911   1.418  1.00  0.00           H  
HETATM   35  H   UNL     1       2.789  -0.171  -1.051  1.00  0.00           H  
HETATM   36  H   UNL     1       5.064  -0.219   0.779  1.00  0.00           H  
HETATM   37  H   UNL     1       6.241   2.205   0.840  1.00  0.00           H  
HETATM   38  H   UNL     1       5.204   3.414   1.374  1.00  0.00           H  
HETATM   39  H   UNL     1       6.191   1.070  -1.059  1.00  0.00           H  
HETATM   40  H   UNL     1       4.656   1.060  -1.960  1.00  0.00           H  
HETATM   41  H   UNL     1       4.663  -1.419  -1.946  1.00  0.00           H  
HETATM   42  H   UNL     1       6.198  -1.410  -1.045  1.00  0.00           H  
HETATM   43  H   UNL     1       7.220  -0.332  -2.809  1.00  0.00           H  
HETATM   44  H   UNL     1       6.521  -1.688  -3.351  1.00  0.00           H  
CONECT    1    2    2   23                                            
CONECT    2    1    1    3    7                                       
CONECT    3    2    4   24                                            
CONECT    4    3    5    6    6                                       
CONECT    5    4                                                      
CONECT    6    4    4                                                 
CONECT    7    2    8   25                                            
CONECT    8    7    9   26   27                                       
CONECT    9    8   10   28   29                                       
CONECT   10    9   11   30   31                                       
CONECT   11   10   12   13   32                                       
CONECT   12   11   33   34                                            
CONECT   13   11   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   35                                            
CONECT   16   15   17   20   36                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   37   38                                            
CONECT   20   16   21   39   40                                       
CONECT   21   20   22   41   42                                       
CONECT   22   21   43   44                                            
CONECT   23    1                                                      
CONECT   24    3                                                      
CONECT   25    7                                                      
CONECT   26    8                                                      
CONECT   27    8                                                      
CONECT   28    9                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
