COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.343  -2.213  -1.363  1.00  0.00           C  
HETATM    2  O   UNL     1       0.937  -2.102   1.273  1.00  0.00           O  
HETATM    3  O   UNL     1      -1.922   4.753   2.235  1.00  0.00           O  
HETATM    4  C   UNL     1      -2.839  -0.952  -1.043  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.842  -0.849  -0.052  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.403  -2.036   0.569  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.971  -3.250   0.178  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.568   3.437   2.149  1.00  0.00           O1-
HETATM    9  O   UNL     1      -4.291   0.859  -1.278  1.00  0.00           O  
HETATM   10  O   UNL     1      -2.746   0.680  -2.862  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.341   0.252  -1.731  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.292   1.872  -3.485  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.273   0.464   0.324  1.00  0.00           C  
HETATM   14  C   UNL     1       0.071   0.743   0.073  1.00  0.00           C  
HETATM   15  C   UNL     1       0.595   1.970   0.426  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.209   2.921   1.029  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.542   2.650   1.281  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.395   3.674   1.927  1.00  0.00           N1+
HETATM   19  C   UNL     1      -2.080   1.430   0.928  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.518  -4.527   0.837  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.905  -3.295  -0.751  1.00  0.00           N  
HETATM   22  C   UNL     1      -4.410  -2.340  -2.420  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.363  -1.997   1.613  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.677  -1.870   2.780  1.00  0.00           O  
HETATM   25  C   UNL     1       1.907  -2.055   2.353  1.00  0.00           C  
HETATM   26  C   UNL     1       3.318  -2.188   1.777  1.00  0.00           C  
HETATM   27  N   UNL     1       3.616  -1.021   0.936  1.00  0.00           N  
HETATM   28  C   UNL     1       3.681   0.206   1.742  1.00  0.00           C  
HETATM   29  C   UNL     1       4.859  -1.221   0.180  1.00  0.00           C  
HETATM   30  C   UNL     1       5.005  -0.125  -0.845  1.00  0.00           C  
HETATM   31  C   UNL     1       5.665   1.044  -0.517  1.00  0.00           C  
HETATM   32  C   UNL     1       5.798   2.049  -1.457  1.00  0.00           C  
HETATM   33  C   UNL     1       5.272   1.884  -2.725  1.00  0.00           C  
HETATM   34  C   UNL     1       4.612   0.715  -3.053  1.00  0.00           C  
HETATM   35  C   UNL     1       4.484  -0.293  -2.115  1.00  0.00           C  
HETATM   36  H   UNL     1      -2.722   2.106  -4.384  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.335   1.697  -3.751  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.231   2.707  -2.787  1.00  0.00           H  
HETATM   39  H   UNL     1       0.699   0.002  -0.397  1.00  0.00           H  
HETATM   40  H   UNL     1       1.634   2.188   0.231  1.00  0.00           H  
HETATM   41  H   UNL     1       0.206   3.879   1.304  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.122   1.221   1.122  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.686  -4.951   0.274  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.197  -4.316   1.857  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.343  -5.239   0.855  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.941  -2.478  -3.394  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.043  -3.199  -2.196  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.017  -1.435  -2.434  1.00  0.00           H  
HETATM   49  H   UNL     1       1.817  -1.105   2.880  1.00  0.00           H  
HETATM   50  H   UNL     1       1.718  -2.875   3.046  1.00  0.00           H  
HETATM   51  H   UNL     1       4.039  -2.242   2.592  1.00  0.00           H  
HETATM   52  H   UNL     1       3.381  -3.095   1.175  1.00  0.00           H  
HETATM   53  H   UNL     1       4.466   0.106   2.493  1.00  0.00           H  
HETATM   54  H   UNL     1       3.903   1.054   1.095  1.00  0.00           H  
HETATM   55  H   UNL     1       2.724   0.367   2.237  1.00  0.00           H  
HETATM   56  H   UNL     1       5.708  -1.195   0.863  1.00  0.00           H  
HETATM   57  H   UNL     1       4.827  -2.187  -0.323  1.00  0.00           H  
HETATM   58  H   UNL     1       6.075   1.173   0.473  1.00  0.00           H  
HETATM   59  H   UNL     1       6.313   2.963  -1.201  1.00  0.00           H  
HETATM   60  H   UNL     1       5.375   2.670  -3.459  1.00  0.00           H  
HETATM   61  H   UNL     1       4.205   0.584  -4.044  1.00  0.00           H  
HETATM   62  H   UNL     1       3.969  -1.207  -2.371  1.00  0.00           H  
CONECT    1   21   22    4    4                                       
CONECT    2   23   25                                                 
CONECT    3   18   18                                                 
CONECT    4    1    1    5   11                                       
CONECT    5    6    6    4   13                                       
CONECT    6    7   23    5    5                                       
CONECT    7   20   21   21    6                                       
CONECT    8   18                                                      
CONECT    9   11   11                                                 
CONECT   10   11   12                                                 
CONECT   11    4    9    9   10                                       
CONECT   12   10   36   37   38                                       
CONECT   13    5   14   14   19                                       
CONECT   14   13   13   15   39                                       
CONECT   15   14   16   16   40                                       
CONECT   16   15   15   17   41                                       
CONECT   17   19   19   16   18                                       
CONECT   18   17    3    3    8                                       
CONECT   19   13   17   17   42                                       
CONECT   20    7   43   44   45                                       
CONECT   21    7    7    1                                            
CONECT   22    1   46   47   48                                       
CONECT   23   24   24    6    2                                       
CONECT   24   23   23                                                 
CONECT   25    2   26   49   50                                       
CONECT   26   25   27   51   52                                       
CONECT   27   26   28   29                                            
CONECT   28   27   53   54   55                                       
CONECT   29   27   30   56   57                                       
CONECT   30   35   29   31   31                                       
CONECT   31   30   30   32   58                                       
CONECT   32   33   33   31   59                                       
CONECT   33   34   32   32   60                                       
CONECT   34   35   35   33   61                                       
CONECT   35   34   34   30   62                                       
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
CONECT   60   33                                                      
CONECT   61   34                                                      
CONECT   62   35                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
