COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.074  -2.710  -0.046  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.333  -1.440  -0.067  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.068  -1.494  -0.125  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.409  -0.324  -0.150  1.00  0.00           N  
HETATM    5  O5* UNL     1      -7.409   1.792   2.487  1.00  0.00           O  
HETATM    6  C5* UNL     1      -7.545   1.297   1.153  1.00  0.00           C  
HETATM    7  C4* UNL     1      -6.297   1.658   0.346  1.00  0.00           C  
HETATM    8  O4* UNL     1      -5.142   0.955   0.853  1.00  0.00           O  
HETATM    9  C3* UNL     1      -6.422   1.145  -1.111  1.00  0.00           C  
HETATM   10  C2* UNL     1      -4.939   1.014  -1.537  1.00  0.00           C  
HETATM   11  O3* UNL     1      -7.106   2.096  -1.930  1.00  0.00           O  
HETATM   12  C1* UNL     1      -4.170   0.927  -0.205  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.045  -0.276  -0.119  1.00  0.00           C  
HETATM   14  C   UNL     1       0.098  -1.424  -0.032  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.484  -3.773   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1      -3.423  -2.672  -0.075  1.00  0.00           N  
HETATM   17  O   UNL     1      -5.284  -1.487  -0.155  1.00  0.00           O  
HETATM   18  C   UNL     1       1.272  -1.412  -0.004  1.00  0.00           C  
HETATM   19  C   UNL     1       2.704  -1.396   0.030  1.00  0.00           C  
HETATM   20  C   UNL     1       3.328  -0.242   0.011  1.00  0.00           C  
HETATM   21  C   UNL     1       3.428  -2.672   0.093  1.00  0.00           C  
HETATM   22  C   UNL     1       4.741  -2.745   0.128  1.00  0.00           C  
HETATM   23  C   UNL     1       4.801  -0.225   0.046  1.00  0.00           C  
HETATM   24  C   UNL     1       5.535  -1.503   0.104  1.00  0.00           C  
HETATM   25  C   UNL     1       2.597   1.035  -0.046  1.00  0.00           C  
HETATM   26  C   UNL     1       3.256   2.178  -0.065  1.00  0.00           C  
HETATM   27  C   UNL     1       5.453   0.906   0.028  1.00  0.00           C  
HETATM   28  C   UNL     1       4.728   2.188  -0.031  1.00  0.00           C  
HETATM   29  C   UNL     1       5.413   3.307  -0.050  1.00  0.00           C  
HETATM   30  C   UNL     1       6.881   3.322  -0.016  1.00  0.00           C  
HETATM   31  C   UNL     1       6.927   0.914   0.063  1.00  0.00           C  
HETATM   32  C   UNL     1       7.604   2.223   0.036  1.00  0.00           C  
HETATM   33  C   UNL     1       7.584  -0.220   0.114  1.00  0.00           C  
HETATM   34  C   UNL     1       6.846  -1.501   0.137  1.00  0.00           C  
HETATM   35  H5* UNL     1      -8.166   1.599   3.057  1.00  0.00           H  
HETATM   36 H5*1 UNL     1      -7.661   0.214   1.178  1.00  0.00           H  
HETATM   37 H5*2 UNL     1      -8.422   1.746   0.687  1.00  0.00           H  
HETATM   38  H4* UNL     1      -6.128   2.735   0.363  1.00  0.00           H  
HETATM   39  H3* UNL     1      -6.922   0.177  -1.141  1.00  0.00           H  
HETATM   40 H2*1 UNL     1      -4.790   0.108  -2.124  1.00  0.00           H  
HETATM   41 H2*2 UNL     1      -4.626   1.891  -2.103  1.00  0.00           H  
HETATM   42  H3* UNL     1      -7.131   1.861  -2.868  1.00  0.00           H  
HETATM   43  H1* UNL     1      -3.493   1.776  -0.112  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.533   0.675  -0.135  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.929  -3.499  -0.058  1.00  0.00           H  
HETATM   46  H   UNL     1       2.859  -3.590   0.111  1.00  0.00           H  
HETATM   47  H   UNL     1       5.233  -3.705   0.174  1.00  0.00           H  
HETATM   48  H   UNL     1       1.518   1.036  -0.072  1.00  0.00           H  
HETATM   49  H   UNL     1       2.713   3.111  -0.108  1.00  0.00           H  
HETATM   50  H   UNL     1       4.881   4.246  -0.092  1.00  0.00           H  
HETATM   51  H   UNL     1       7.389   4.274  -0.034  1.00  0.00           H  
HETATM   52  H   UNL     1       8.682   2.280   0.059  1.00  0.00           H  
HETATM   53  H   UNL     1       8.664  -0.219   0.140  1.00  0.00           H  
HETATM   54  H   UNL     1       7.387  -2.435   0.183  1.00  0.00           H  
CONECT    1   16   15   15    2                                       
CONECT    2   13   13    1   14                                       
CONECT    3   17   17    4   16                                       
CONECT    4    3   12   13                                            
CONECT    5    6   35                                                 
CONECT    6    5    7   36   37                                       
CONECT    7    9    6    8   38                                       
CONECT    8    7   12                                                 
CONECT    9   11   10    7   39                                       
CONECT   10    9   12   40   41                                       
CONECT   11    9   42                                                 
CONECT   12   10    4    8   43                                       
CONECT   13    4    2    2   44                                       
CONECT   14    2   18   18   18                                       
CONECT   15    1    1                                                 
CONECT   16    3    1   45                                            
CONECT   17    3    3                                                 
CONECT   18   14   14   14   19                                       
CONECT   19   18   20   20   21                                       
CONECT   20   25   19   19   23                                       
CONECT   21   19   22   22   46                                       
CONECT   22   21   21   24   47                                       
CONECT   23   20   27   27   24                                       
CONECT   24   23   22   34   34                                       
CONECT   25   26   26   20   48                                       
CONECT   26   25   25   28   49                                       
CONECT   27   28   23   23   31                                       
CONECT   28   26   29   29   27                                       
CONECT   29   28   28   30   50                                       
CONECT   30   29   32   32   51                                       
CONECT   31   27   32   33   33                                       
CONECT   32   30   30   31   52                                       
CONECT   33   31   31   34   53                                       
CONECT   34   24   24   33   54                                       
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   16                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   32                                                      
CONECT   53   33                                                      
CONECT   54   34                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
