COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.638  -2.559   0.665  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.411  -3.643   0.403  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.638  -4.452   1.681  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.273   3.125  -1.936  1.00  0.00           O  
HETATM    5  N   UNL     1      -3.215   3.156  -1.164  1.00  0.00           N1+
HETATM    6  O   UNL     1      -4.332   3.411  -1.576  1.00  0.00           O1-
HETATM    7  C   UNL     1      -3.001   2.883   0.275  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.487   3.758   1.224  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.287   3.505   2.570  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.601   2.373   2.973  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.110   1.489   2.034  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.312   1.736   0.675  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.794   0.792  -0.336  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.072   0.943  -1.508  1.00  0.00           O  
HETATM   15  O   UNL     1      -1.012  -0.238   0.043  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.539  -1.126  -1.004  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.543  -2.265  -1.201  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.824  -1.720  -1.522  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.812  -2.704  -1.838  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.638  -3.029   0.003  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.530  -5.535   1.406  1.00  0.00           O  
HETATM   22  O   UNL     1       0.204  -1.723   1.739  1.00  0.00           O  
HETATM   23  C   UNL     1       0.817  -1.715  -0.601  1.00  0.00           C  
HETATM   24  O   UNL     1       1.755  -0.639  -0.339  1.00  0.00           O  
HETATM   25  C   UNL     1       3.058  -0.893  -0.573  1.00  0.00           C  
HETATM   26  O   UNL     1       3.399  -1.984  -0.984  1.00  0.00           O  
HETATM   27  C   UNL     1       4.070   0.155  -0.329  1.00  0.00           C  
HETATM   28  C   UNL     1       3.681   1.408   0.149  1.00  0.00           C  
HETATM   29  C   UNL     1       4.631   2.382   0.375  1.00  0.00           C  
HETATM   30  C   UNL     1       5.968   2.119   0.128  1.00  0.00           C  
HETATM   31  C   UNL     1       7.000   3.188   0.377  1.00  0.00           C  
HETATM   32  C   UNL     1       6.360   0.880  -0.345  1.00  0.00           C  
HETATM   33  C   UNL     1       5.420  -0.105  -0.570  1.00  0.00           C  
HETATM   34  H   UNL     1       1.587  -3.027   0.927  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.061  -4.304  -0.389  1.00  0.00           H  
HETATM   36  H   UNL     1       0.314  -4.847   2.035  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.073  -3.809   2.446  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.023   4.643   0.916  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.670   4.193   3.309  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.448   2.182   4.025  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.574   0.607   2.351  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.433  -0.569  -1.934  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.207  -2.908  -2.014  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.949  -3.367  -0.985  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.755  -2.210  -2.070  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.484  -3.284  -2.701  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.719  -6.093   2.174  1.00  0.00           H  
HETATM   48  H   UNL     1       0.066  -2.194   2.572  1.00  0.00           H  
HETATM   49  H   UNL     1       1.195  -2.343  -1.408  1.00  0.00           H  
HETATM   50  H   UNL     1       2.638   1.614   0.342  1.00  0.00           H  
HETATM   51  H   UNL     1       4.332   3.351   0.744  1.00  0.00           H  
HETATM   52  H   UNL     1       7.362   3.112   1.403  1.00  0.00           H  
HETATM   53  H   UNL     1       7.834   3.056  -0.313  1.00  0.00           H  
HETATM   54  H   UNL     1       6.552   4.170   0.221  1.00  0.00           H  
HETATM   55  H   UNL     1       7.404   0.682  -0.536  1.00  0.00           H  
HETATM   56  H   UNL     1       5.728  -1.074  -0.936  1.00  0.00           H  
CONECT    1   22    2   23   34                                       
CONECT    2    3    1   20   35                                       
CONECT    3   21    2   36   37                                       
CONECT    4    5    5                                                 
CONECT    5    6    7    4    4                                       
CONECT    6    5                                                      
CONECT    7    8    5   12   12                                       
CONECT    8    9    9    7   38                                       
CONECT    9    8    8   10   39                                       
CONECT   10    9   11   11   40                                       
CONECT   11   10   10   12   41                                       
CONECT   12    7    7   11   13                                       
CONECT   13   12   15   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   13   16                                                 
CONECT   16   15   23   17   42                                       
CONECT   17   20   16   18   43                                       
CONECT   18   17   19                                                 
CONECT   19   18   44   45   46                                       
CONECT   20    2   17                                                 
CONECT   21    3   47                                                 
CONECT   22    1   48                                                 
CONECT   23    1   24   16   49                                       
CONECT   24   23   25                                                 
CONECT   25   24   27   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   28   25   33   33                                       
CONECT   28   29   29   27   50                                       
CONECT   29   28   28   30   51                                       
CONECT   30   29   31   32   32                                       
CONECT   31   30   52   53   54                                       
CONECT   32   30   30   33   55                                       
CONECT   33   27   27   32   56                                       
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   28                                                      
CONECT   51   29                                                      
CONECT   52   31                                                      
CONECT   53   31                                                      
CONECT   54   31                                                      
CONECT   55   32                                                      
CONECT   56   33                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
