COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.032  -0.455   0.113  1.00  0.00           C  
HETATM    2  C   UNL     1       0.391   0.041  -0.158  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.500   3.064   0.419  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.142   2.475  -0.160  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.167   1.514  -0.346  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.543   0.147  -0.858  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.120  -2.191  -0.195  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.194  -3.172   0.977  1.00  0.00           C  
HETATM    9  C   UNL     1       4.319  -1.271  -3.082  1.00  0.00           C  
HETATM   10  C   UNL     1       4.232   0.061  -2.335  1.00  0.00           C  
HETATM   11  C   UNL     1       4.829  -0.095  -0.960  1.00  0.00           C  
HETATM   12  N   UNL     1       6.124   0.112  -0.764  1.00  0.00           N  
HETATM   13  C   UNL     1       6.660  -0.021   0.439  1.00  0.00           C  
HETATM   14  N   UNL     1       8.018   0.205   0.601  1.00  0.00           N  
HETATM   15  N   UNL     1       5.933  -0.363   1.492  1.00  0.00           N  
HETATM   16  C   UNL     1       4.629  -0.588   1.372  1.00  0.00           C  
HETATM   17  N   UNL     1       3.871  -0.947   2.477  1.00  0.00           N  
HETATM   18  O   UNL     1       2.697  -0.670  -0.052  1.00  0.00           O  
HETATM   19  C   UNL     1       1.827   0.438   0.188  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.541   1.228   0.099  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.883   0.858  -0.224  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.843   1.805  -0.052  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.477   4.023   0.598  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.797   3.729   0.309  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.738  -0.804   0.324  1.00  0.00           C  
HETATM   26  O   UNL     1      -6.393  -2.125  -0.841  1.00  0.00           O  
HETATM   27  O   UNL     1      -5.436  -4.490   0.481  1.00  0.00           O  
HETATM   28  H   UNL     1       0.335  -0.244  -1.208  1.00  0.00           H  
HETATM   29  H   UNL     1       0.086  -0.800   0.464  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.469   3.293   0.648  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.173   2.247  -0.385  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.470   0.215  -1.427  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.749  -0.231  -1.501  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.369  -2.532  -0.908  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.251  -3.157   1.523  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.005  -2.881   1.644  1.00  0.00           H  
HETATM   37  H   UNL     1       3.704  -2.014  -2.574  1.00  0.00           H  
HETATM   38  H   UNL     1       3.960  -1.139  -4.103  1.00  0.00           H  
HETATM   39  H   UNL     1       5.355  -1.609  -3.103  1.00  0.00           H  
HETATM   40  H   UNL     1       4.782   0.823  -2.886  1.00  0.00           H  
HETATM   41  H   UNL     1       3.188   0.360  -2.246  1.00  0.00           H  
HETATM   42  H   UNL     1       8.562   0.457  -0.161  1.00  0.00           H  
HETATM   43  H   UNL     1       8.424   0.111   1.477  1.00  0.00           H  
HETATM   44  H   UNL     1       2.920  -1.108   2.381  1.00  0.00           H  
HETATM   45  H   UNL     1       4.293  -1.036   3.346  1.00  0.00           H  
HETATM   46  H   UNL     1       2.132   1.280  -0.434  1.00  0.00           H  
HETATM   47  H   UNL     1       1.883   0.723   1.238  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.486   1.513   1.149  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.237   2.070  -0.523  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.211   5.003   0.965  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.561   4.479   0.454  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.811  -0.872   0.893  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.533  -0.426   0.968  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.111  -1.828  -0.265  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.494  -5.166   1.170  1.00  0.00           H  
CONECT    1   16   16   18   11                                       
CONECT    2   19   20   28   29                                       
CONECT    3   22   22   23   30                                       
CONECT    4   24    5    5   31                                       
CONECT    5    4    4    6   22                                       
CONECT    6    5   25   32   33                                       
CONECT    7   25   26    8   34                                       
CONECT    8    7   27   35   36                                       
CONECT    9   10   37   38   39                                       
CONECT   10    9   11   40   41                                       
CONECT   11   10   12   12    1                                       
CONECT   12   11   11   13                                            
CONECT   13   12   14   15   15                                       
CONECT   14   13   42   43                                            
CONECT   15   13   13   16                                            
CONECT   16   15   17    1    1                                       
CONECT   17   16   44   45                                            
CONECT   18    1   19                                                 
CONECT   19   18    2   46   47                                       
CONECT   20    2   21   48   49                                       
CONECT   21   20   22                                                 
CONECT   22   21    3    3    5                                       
CONECT   23    3   24   24   50                                       
CONECT   24   23   23    4   51                                       
CONECT   25    6    7   52   53                                       
CONECT   26    7   54                                                 
CONECT   27    8   55                                                 
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
