COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C4* UNL     1       6.124  -0.387  -0.207  1.00  0.00           C  
HETATM    2  C2* UNL     1       4.411   1.087   0.704  1.00  0.00           C  
HETATM    3  O2* UNL     1       4.273   2.460   0.335  1.00  0.00           O  
HETATM    4  N   UNL     1       2.540  -0.280  -0.156  1.00  0.00           N  
HETATM    5  C3* UNL     1       5.903   0.713   0.855  1.00  0.00           C  
HETATM    6  O3* UNL     1       6.732   1.845   0.584  1.00  0.00           O  
HETATM    7  C   UNL     1      -3.428  -0.209   0.025  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.429  -1.228   0.574  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.831  -0.717   0.368  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.432   0.061   1.341  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.715   0.535   1.152  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.402   0.232  -0.016  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.795  -0.549  -0.992  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.512  -1.021  -0.797  1.00  0.00           C  
HETATM   15  C5* UNL     1       7.088  -1.451   0.322  1.00  0.00           C  
HETATM   16  C1* UNL     1       3.907   0.168  -0.431  1.00  0.00           C  
HETATM   17  C   UNL     1       2.180  -1.446   0.450  1.00  0.00           C  
HETATM   18  C   UNL     1       0.330  -0.411  -0.010  1.00  0.00           C  
HETATM   19  C   UNL     1       1.387   0.400  -0.457  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.140   1.956  -1.186  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.984   0.050  -0.194  1.00  0.00           C  
HETATM   22  N   UNL     1       0.883  -1.520   0.538  1.00  0.00           N  
HETATM   23  N   UNL     1       1.107   1.565  -1.034  1.00  0.00           N  
HETATM   24  N   UNL     1      -1.165   1.228  -0.782  1.00  0.00           N  
HETATM   25  N   UNL     1      -2.065  -0.706   0.226  1.00  0.00           N  
HETATM   26  N   UNL     1      -9.700   0.710  -0.210  1.00  0.00           N  
HETATM   27  O5* UNL     1       7.341  -2.414  -0.703  1.00  0.00           O  
HETATM   28  O4* UNL     1       4.815  -0.956  -0.427  1.00  0.00           O  
HETATM   29  H4* UNL     1       6.508   0.049  -1.129  1.00  0.00           H  
HETATM   30  H2* UNL     1       3.871   0.882   1.628  1.00  0.00           H  
HETATM   31  H2* UNL     1       4.575   3.082   1.012  1.00  0.00           H  
HETATM   32  H3* UNL     1       6.100   0.325   1.854  1.00  0.00           H  
HETATM   33  H3* UNL     1       7.679   1.667   0.665  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.608  -0.061  -1.040  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.550   0.739   0.549  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.306  -2.176   0.050  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.249  -1.376   1.639  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.898   0.296   2.249  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.184   1.142   1.913  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.326  -0.788  -1.901  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.038  -1.625  -1.557  1.00  0.00           H  
HETATM   42 H5*1 UNL     1       8.025  -0.978   0.616  1.00  0.00           H  
HETATM   43 H5*2 UNL     1       6.644  -1.946   1.185  1.00  0.00           H  
HETATM   44  H1* UNL     1       3.950   0.689  -1.388  1.00  0.00           H  
HETATM   45  H   UNL     1       2.868  -2.198   0.806  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.333   2.908  -1.658  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.919  -1.565   0.652  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.123   1.255   0.472  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.179   0.497  -1.026  1.00  0.00           H  
HETATM   50  H5* UNL     1       7.946  -3.121  -0.437  1.00  0.00           H  
CONECT    1    5   15   28   29                                       
CONECT    2    3   16    5   30                                       
CONECT    3    2   31                                                 
CONECT    4   17   19   16                                            
CONECT    5    2    1    6   32                                       
CONECT    6    5   33                                                 
CONECT    7    8   25   34   35                                       
CONECT    8    9    7   36   37                                       
CONECT    9   10   10   14    8                                       
CONECT   10   11    9    9   38                                       
CONECT   11   12   12   10   39                                       
CONECT   12   26   11   11   13                                       
CONECT   13   12   14   14   40                                       
CONECT   14   13   13    9   41                                       
CONECT   15    1   27   42   43                                       
CONECT   16    4    2   28   44                                       
CONECT   17   22   22    4   45                                       
CONECT   18   22   21   21   19                                       
CONECT   19   18    4   23   23                                       
CONECT   20   24   24   23   46                                       
CONECT   21   25   18   18   24                                       
CONECT   22   17   17   18                                            
CONECT   23   19   19   20                                            
CONECT   24   21   20   20                                            
CONECT   25    7   21   47                                            
CONECT   26   12   48   49                                            
CONECT   27   15   50                                                 
CONECT   28   16    1                                                 
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   20                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
