COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.047  -0.626  -0.897  1.00  0.00           C  
HETATM    2  C   UNL     1       0.370  -0.581   1.006  1.00  0.00           C  
HETATM    3  C   UNL     1       4.224   0.389  -0.434  1.00  0.00           C  
HETATM    4  C   UNL     1       2.922   0.088  -0.019  1.00  0.00           C  
HETATM    5  C   UNL     1       2.445  -1.230  -0.072  1.00  0.00           C  
HETATM    6  C   UNL     1       3.296  -2.231  -0.540  1.00  0.00           C  
HETATM    7  C   UNL     1       4.578  -1.926  -0.946  1.00  0.00           C  
HETATM    8  C   UNL     1       2.030   1.147   0.477  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.839   0.428   0.336  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.076  -0.661   0.576  1.00  0.00           C  
HETATM   11  O   UNL     1       2.388   2.309   0.480  1.00  0.00           O  
HETATM   12  O   UNL     1       4.678   1.666  -0.383  1.00  0.00           O  
HETATM   13  C   UNL     1       6.018   1.896  -0.824  1.00  0.00           C  
HETATM   14  N   UNL     1       1.171  -1.558   0.321  1.00  0.00           N  
HETATM   15  C   UNL     1       1.154  -2.844   1.031  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.811  -1.799   0.372  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.082  -1.466  -0.002  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.196  -2.243  -0.314  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.357  -1.574  -0.660  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.431  -0.192  -0.701  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.338   0.609  -0.395  1.00  0.00           C  
HETATM   22  O   UNL     1      -4.415   1.965  -0.438  1.00  0.00           O  
HETATM   23  C   UNL     1      -5.672   2.533  -0.812  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.153  -0.051  -0.041  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.363   1.850   0.480  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.109   1.872   1.362  1.00  0.00           C  
HETATM   27  N   UNL     1       0.807   0.804   0.927  1.00  0.00           N  
HETATM   28  H   UNL     1       6.052  -0.400  -1.223  1.00  0.00           H  
HETATM   29  H   UNL     1       0.391  -0.844   2.064  1.00  0.00           H  
HETATM   30  H   UNL     1       2.947  -3.252  -0.586  1.00  0.00           H  
HETATM   31  H   UNL     1       5.223  -2.712  -1.310  1.00  0.00           H  
HETATM   32  H   UNL     1       6.707   1.316  -0.210  1.00  0.00           H  
HETATM   33  H   UNL     1       6.115   1.592  -1.866  1.00  0.00           H  
HETATM   34  H   UNL     1       6.254   2.956  -0.731  1.00  0.00           H  
HETATM   35  H   UNL     1       1.729  -2.758   1.952  1.00  0.00           H  
HETATM   36  H   UNL     1       0.125  -3.114   1.269  1.00  0.00           H  
HETATM   37  H   UNL     1       1.594  -3.615   0.398  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.479  -2.704   0.476  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.155  -3.322  -0.287  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.237  -2.150  -0.906  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.364   0.276  -0.978  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.941   2.192  -1.811  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.437   2.218  -0.102  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.595   3.620  -0.806  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.122   2.247  -0.507  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.143   2.458   0.939  1.00  0.00           H  
HETATM   47  H   UNL     1       0.382   2.841   1.272  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.391   1.701   2.400  1.00  0.00           H  
CONECT    1    3    3    7   28                                       
CONECT    2   27   14   10   29                                       
CONECT    3   12    1    1    4                                       
CONECT    4    3    8    5    5                                       
CONECT    5    4    4   14    6                                       
CONECT    6    7    7    5   30                                       
CONECT    7    1    6    6   31                                       
CONECT    8   11   11   27    4                                       
CONECT    9   25   10   10   24                                       
CONECT   10    9    9    2   16                                       
CONECT   11    8    8                                                 
CONECT   12   13    3                                                 
CONECT   13   12   32   33   34                                       
CONECT   14    5    2   15                                            
CONECT   15   14   35   36   37                                       
CONECT   16   10   17   38                                            
CONECT   17   24   16   18   18                                       
CONECT   18   17   17   19   39                                       
CONECT   19   20   20   18   40                                       
CONECT   20   21   19   19   41                                       
CONECT   21   22   24   24   20                                       
CONECT   22   23   21                                                 
CONECT   23   22   42   43   44                                       
CONECT   24    9   21   21   17                                       
CONECT   25   26    9   45   46                                       
CONECT   26   25   27   47   48                                       
CONECT   27    8   26    2                                            
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32   13                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
