COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.221   4.030  -0.496  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.723   2.637  -0.887  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.366   2.722  -1.327  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.808   1.706   0.324  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.071   2.297   1.449  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.205   0.370  -0.026  1.00  0.00           C  
HETATM    7  N   UNL     1       0.060   0.097   0.051  1.00  0.00           N  
HETATM    8  N   UNL     1      -1.921  -0.710  -0.458  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.372  -0.753  -0.656  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.040  -1.197   0.620  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.372  -1.452   1.594  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.063  -1.731  -0.676  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.332  -2.853  -1.067  1.00  0.00           O  
HETATM   14  C   UNL     1       0.267  -1.198  -0.337  1.00  0.00           C  
HETATM   15  C   UNL     1       1.472  -1.866  -0.398  1.00  0.00           C  
HETATM   16  C   UNL     1       2.720  -1.150  -0.132  1.00  0.00           C  
HETATM   17  C   UNL     1       2.687   0.182   0.308  1.00  0.00           C  
HETATM   18  C   UNL     1       3.855   0.846   0.555  1.00  0.00           C  
HETATM   19  C   UNL     1       5.077   0.203   0.371  1.00  0.00           C  
HETATM   20  N   UNL     1       6.262   0.883   0.624  1.00  0.00           N  
HETATM   21  C   UNL     1       5.115  -1.119  -0.067  1.00  0.00           C  
HETATM   22  C   UNL     1       3.953  -1.794  -0.310  1.00  0.00           C  
HETATM   23  H   UNL     1      -2.160   4.693  -1.359  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.256   3.964  -0.160  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.602   4.424   0.310  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.342   2.243  -1.693  1.00  0.00           H  
HETATM   27  H   UNL     1       0.243   3.066  -0.660  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.853   1.570   0.605  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.100   2.433   1.213  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.496   3.163   1.744  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.731   0.239  -0.928  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.609  -1.457  -1.454  1.00  0.00           H  
HETATM   33  O   UNL     1      -5.377  -1.310   0.674  1.00  0.00           O  
HETATM   34  H   UNL     1       1.494  -2.918  -0.643  1.00  0.00           H  
HETATM   35  H   UNL     1       1.740   0.682   0.451  1.00  0.00           H  
HETATM   36  H   UNL     1       3.830   1.871   0.894  1.00  0.00           H  
HETATM   37  H   UNL     1       6.238   1.804   0.928  1.00  0.00           H  
HETATM   38  H   UNL     1       7.114   0.438   0.495  1.00  0.00           H  
HETATM   39  H   UNL     1       6.065  -1.613  -0.208  1.00  0.00           H  
HETATM   40  H   UNL     1       3.984  -2.820  -0.645  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.759  -1.598   1.513  1.00  0.00           H  
CONECT    1    2   23   24   25                                       
CONECT    2    4    1    3   26                                       
CONECT    3    2   27                                                 
CONECT    4    5    6    2   28                                       
CONECT    5    4   29   30                                            
CONECT    6    8    4    7    7                                       
CONECT    7    6    6   14                                            
CONECT    8    9   12    6                                            
CONECT    9   10    8   31   32                                       
CONECT   10   11   11    9   33                                       
CONECT   11   10   10                                                 
CONECT   12    8   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12    7   15   15                                       
CONECT   15   14   14   16   34                                       
CONECT   16   15   17   17   22                                       
CONECT   17   16   16   18   35                                       
CONECT   18   17   19   19   36                                       
CONECT   19   18   18   21   20                                       
CONECT   20   19   37   38                                            
CONECT   21   22   22   19   39                                       
CONECT   22   16   21   21   40                                       
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   10   41                                                 
CONECT   34   15                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   20                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   33                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
