COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.368   2.893  -1.229  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.930   4.398   1.927  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.998   3.668   0.585  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.598   2.275   0.791  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.607   1.528  -0.546  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.178   1.469  -1.095  1.00  0.00           C  
HETATM    7  C   UNL     1       2.291   4.127  -1.954  1.00  0.00           C  
HETATM    8  O   UNL     1       0.319   3.542   0.044  1.00  0.00           O  
HETATM    9  O   UNL     1       1.720   2.844  -1.687  1.00  0.00           O  
HETATM   10  O   UNL     1       0.661   0.711  -0.184  1.00  0.00           O  
HETATM   11  C   UNL     1       1.699   0.043  -0.722  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.106   0.179  -0.346  1.00  0.00           O  
HETATM   13  C   UNL     1      -3.434  -0.007  -0.478  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.810   1.550   1.737  1.00  0.00           O  
HETATM   15  O   UNL     1      -0.478   5.738   1.719  1.00  0.00           O  
HETATM   16  O   UNL     1      -4.155   0.931  -0.752  1.00  0.00           O  
HETATM   17  O   UNL     1       1.898   0.092  -1.919  1.00  0.00           O  
HETATM   18  C   UNL     1       2.596  -0.750   0.144  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.013  -1.353  -0.288  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.188  -2.433   0.033  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.389  -1.550  -0.424  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.736  -3.687   0.209  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.923  -2.809  -0.245  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.099  -3.875   0.068  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.690  -5.248   0.262  1.00  0.00           C  
HETATM   26  C   UNL     1       2.369  -0.808   1.520  1.00  0.00           C  
HETATM   27  C   UNL     1       3.670  -1.449  -0.411  1.00  0.00           C  
HETATM   28  C   UNL     1       3.210  -1.551   2.323  1.00  0.00           C  
HETATM   29  C   UNL     1       4.503  -2.187   0.403  1.00  0.00           C  
HETATM   30  N   UNL     1       5.642  -2.928  -0.183  1.00  0.00           N1+
HETATM   31  C   UNL     1       4.276  -2.237   1.768  1.00  0.00           C  
HETATM   32  O   UNL     1       6.378  -3.581   0.535  1.00  0.00           O1-
HETATM   33  O   UNL     1       5.843  -2.886  -1.383  1.00  0.00           O  
HETATM   34  H   UNL     1      -0.238   3.449  -1.944  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.920   4.415   2.382  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.235   3.880   2.588  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.622   4.234  -0.106  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.618   2.370   1.163  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.249   2.053  -1.255  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.183   0.988  -2.073  1.00  0.00           H  
HETATM   41  H   UNL     1       3.318   4.003  -2.297  1.00  0.00           H  
HETATM   42  H   UNL     1       1.708   4.630  -2.725  1.00  0.00           H  
HETATM   43  H   UNL     1       2.281   4.725  -1.043  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.757   1.969   2.607  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.411   6.261   2.529  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.124  -2.287   0.143  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.033  -0.718  -0.668  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.099  -4.523   0.457  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.987  -2.963  -0.350  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.964  -5.382   1.309  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.578  -5.353  -0.362  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.957  -6.003  -0.021  1.00  0.00           H  
HETATM   53  H   UNL     1       1.538  -0.273   1.956  1.00  0.00           H  
HETATM   54  H   UNL     1       3.848  -1.411  -1.475  1.00  0.00           H  
HETATM   55  H   UNL     1       3.037  -1.597   3.388  1.00  0.00           H  
HETATM   56  H   UNL     1       4.931  -2.816   2.401  1.00  0.00           H  
CONECT    1    6    9    8   34                                       
CONECT    2    3   15   35   36                                       
CONECT    3    4    8    2   37                                       
CONECT    4    5    3   14   38                                       
CONECT    5    6   12    4   39                                       
CONECT    6    5    1   10   40                                       
CONECT    7    9   41   42   43                                       
CONECT    8    1    3                                                 
CONECT    9    7    1                                                 
CONECT   10    6   11                                                 
CONECT   11   17   17   10   18                                       
CONECT   12   13    5                                                 
CONECT   13   16   16   19   12                                       
CONECT   14    4   44                                                 
CONECT   15    2   45                                                 
CONECT   16   13   13                                                 
CONECT   17   11   11                                                 
CONECT   18   11   26   26   27                                       
CONECT   19   20   13   21   21                                       
CONECT   20   22   22   19   46                                       
CONECT   21   19   19   23   47                                       
CONECT   22   20   20   24   48                                       
CONECT   23   24   24   21   49                                       
CONECT   24   22   25   23   23                                       
CONECT   25   24   50   51   52                                       
CONECT   26   18   18   28   53                                       
CONECT   27   18   29   29   54                                       
CONECT   28   26   31   31   55                                       
CONECT   29   27   27   31   30                                       
CONECT   30   29   32   33   33                                       
CONECT   31   28   28   29   56                                       
CONECT   32   30                                                      
CONECT   33   30   30                                                 
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   31                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
