COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.661   1.729  -0.185  1.00  0.00           N  
HETATM    2  C   UNL     1       3.498   2.183   0.362  1.00  0.00           C  
HETATM    3  N   UNL     1       3.361   3.525   0.618  1.00  0.00           N  
HETATM    4  N   UNL     1       2.505   1.375   0.651  1.00  0.00           N  
HETATM    5  C   UNL     1       2.596   0.052   0.417  1.00  0.00           C  
HETATM    6  C   UNL     1       3.769  -0.464  -0.143  1.00  0.00           C  
HETATM    7  C   UNL     1       4.821   0.414  -0.452  1.00  0.00           C  
HETATM    8  O   UNL     1       5.858  -0.002  -0.942  1.00  0.00           O  
HETATM    9  N   UNL     1       3.571  -1.826  -0.264  1.00  0.00           N  
HETATM   10  C   UNL     1       2.334  -2.090   0.206  1.00  0.00           C  
HETATM   11  N   UNL     1       1.763  -0.986   0.606  1.00  0.00           N1+
HETATM   12  C   UNL     1      -1.992  -0.394   0.405  1.00  0.00           C  
HETATM   13  O   UNL     1      -5.999   0.042   1.337  1.00  0.00           O  
HETATM   14  C   UNL     1      -5.221   0.415  -1.352  1.00  0.00           C  
HETATM   15  O   UNL     1      -4.801   0.582  -2.622  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.687  -0.100   1.031  1.00  0.00           C  
HETATM   17  C   UNL     1       0.417  -0.892   1.175  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.566  -0.545   0.086  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.179  -0.391  -1.053  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.439  -0.566   1.723  1.00  0.00           C  
HETATM   21  O   UNL     1      -6.398   0.543  -1.079  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.903  -0.072  -0.603  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.773  -0.420   2.027  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.252   0.076  -0.294  1.00  0.00           C  
HETATM   25  C   UNL     1       4.524  -2.799  -0.802  1.00  0.00           C  
HETATM   26  H   UNL     1       5.376   2.354  -0.386  1.00  0.00           H  
HETATM   27  H   UNL     1       4.086   4.135   0.410  1.00  0.00           H  
HETATM   28  H   UNL     1       2.539   3.864   1.007  1.00  0.00           H  
HETATM   29  H   UNL     1       5.149  -3.181   0.005  1.00  0.00           H  
HETATM   30  H   UNL     1       3.980  -3.625  -1.262  1.00  0.00           H  
HETATM   31  H   UNL     1       5.152  -2.317  -1.551  1.00  0.00           H  
HETATM   32  H   UNL     1       1.883  -3.070   0.247  1.00  0.00           H  
HETATM   33  H   UNL     1       0.143  -1.849   1.620  1.00  0.00           H  
HETATM   34  H   UNL     1       0.399  -0.117   1.941  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.562   0.062  -1.619  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.733  -0.815   2.502  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.473   0.803  -3.280  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.110  -0.554   3.044  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.250   0.942   1.582  1.00  0.00           H  
CONECT    1    7    2   26                                            
CONECT    2    1    3    4    4                                       
CONECT    3    2   27   28                                            
CONECT    4    2    2    5                                            
CONECT    5    4    6    6   11                                       
CONECT    6    7    5    5    9                                       
CONECT    7    8    8    1    6                                       
CONECT    8    7    7                                                 
CONECT    9    6   25   10                                            
CONECT   10    9   11   11   32                                       
CONECT   11    5   10   10   17                                       
CONECT   12   18   22   20   20                                       
CONECT   13   16   39                                                 
CONECT   14   24   15   21   21                                       
CONECT   15   14   37                                                 
CONECT   16   24   23   23   13                                       
CONECT   17   11   18   33   34                                       
CONECT   18   17   19   19   12                                       
CONECT   19   18   18                                                 
CONECT   20   12   12   23   36                                       
CONECT   21   14   14                                                 
CONECT   22   12   24   24   35                                       
CONECT   23   20   16   16   38                                       
CONECT   24   22   22   14   16                                       
CONECT   25    9   29   30   31                                       
CONECT   26    1                                                      
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29   25                                                      
CONECT   30   25                                                      
CONECT   31   25                                                      
CONECT   32   10                                                      
CONECT   33   17                                                      
CONECT   34   17                                                      
CONECT   35   22                                                      
CONECT   36   20                                                      
CONECT   37   15                                                      
CONECT   38   23                                                      
CONECT   39   13                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
