COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O3* UNL     1      -7.362  -1.623   0.762  1.00  0.00           O  
HETATM    2  C2* UNL     1      -5.001  -0.991   0.782  1.00  0.00           C  
HETATM    3  C4* UNL     1      -6.658   0.536  -0.142  1.00  0.00           C  
HETATM    4  C5* UNL     1      -7.545   1.674   0.368  1.00  0.00           C  
HETATM    5  C1* UNL     1      -4.483  -0.150  -0.406  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.643   1.402   0.350  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.868   0.244  -0.113  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.085   0.231  -0.190  1.00  0.00           N  
HETATM    9  C3* UNL     1      -6.464  -0.529   0.960  1.00  0.00           C  
HETATM   10  C   UNL     1       2.873  -0.167  -0.177  1.00  0.00           C  
HETATM   11  C   UNL     1       3.944   0.816   0.299  1.00  0.00           C  
HETATM   12  C   UNL     1       5.330   0.209   0.071  1.00  0.00           C  
HETATM   13  C   UNL     1       6.401   1.193   0.547  1.00  0.00           C  
HETATM   14  C   UNL     1       7.766   0.595   0.323  1.00  0.00           C  
HETATM   15  C   UNL     1       8.355  -0.173   1.310  1.00  0.00           C  
HETATM   16  C   UNL     1       9.608  -0.721   1.104  1.00  0.00           C  
HETATM   17  C   UNL     1      10.271  -0.501  -0.088  1.00  0.00           C  
HETATM   18  C   UNL     1       9.682   0.267  -1.076  1.00  0.00           C  
HETATM   19  C   UNL     1       8.428   0.811  -0.872  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.981  -0.525  -0.494  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.565  -2.196  -1.190  1.00  0.00           C  
HETATM   22  C   UNL     1       0.412  -0.297  -0.314  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.342   1.410   0.390  1.00  0.00           N  
HETATM   24  N   UNL     1      -1.784  -1.728  -1.023  1.00  0.00           N  
HETATM   25  N   UNL     1       0.510  -1.511  -0.847  1.00  0.00           N  
HETATM   26  N   UNL     1       1.545   0.413   0.041  1.00  0.00           N  
HETATM   27  O2* UNL     1      -4.950  -2.385   0.469  1.00  0.00           O  
HETATM   28  O5* UNL     1      -7.777   2.607  -0.690  1.00  0.00           O  
HETATM   29  O4* UNL     1      -5.327   1.022  -0.424  1.00  0.00           O  
HETATM   30  H3* UNL     1      -8.295  -1.389   0.862  1.00  0.00           H  
HETATM   31  H2* UNL     1      -4.421  -0.780   1.681  1.00  0.00           H  
HETATM   32  H4* UNL     1      -7.094   0.086  -1.033  1.00  0.00           H  
HETATM   33 H5*1 UNL     1      -8.497   1.268   0.709  1.00  0.00           H  
HETATM   34 H5*2 UNL     1      -7.048   2.180   1.196  1.00  0.00           H  
HETATM   35  H1* UNL     1      -4.586  -0.706  -1.338  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.278   2.206   0.690  1.00  0.00           H  
HETATM   37  H3* UNL     1      -6.608  -0.089   1.947  1.00  0.00           H  
HETATM   38  H   UNL     1       3.011  -0.370  -1.239  1.00  0.00           H  
HETATM   39  H   UNL     1       2.959  -1.098   0.384  1.00  0.00           H  
HETATM   40  H   UNL     1       3.858   1.746  -0.262  1.00  0.00           H  
HETATM   41  H   UNL     1       3.806   1.018   1.361  1.00  0.00           H  
HETATM   42  H   UNL     1       5.416  -0.721   0.632  1.00  0.00           H  
HETATM   43  H   UNL     1       5.468   0.007  -0.991  1.00  0.00           H  
HETATM   44  H   UNL     1       6.315   2.123  -0.014  1.00  0.00           H  
HETATM   45  H   UNL     1       6.263   1.395   1.609  1.00  0.00           H  
HETATM   46  H   UNL     1       7.837  -0.345   2.241  1.00  0.00           H  
HETATM   47  H   UNL     1      10.068  -1.321   1.875  1.00  0.00           H  
HETATM   48  H   UNL     1      11.250  -0.928  -0.249  1.00  0.00           H  
HETATM   49  H   UNL     1      10.201   0.439  -2.007  1.00  0.00           H  
HETATM   50  H   UNL     1       7.966   1.408  -1.644  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.440  -3.178  -1.622  1.00  0.00           H  
HETATM   52  H   UNL     1       1.461   1.296   0.434  1.00  0.00           H  
HETATM   53  H2* UNL     1      -5.264  -2.959   1.181  1.00  0.00           H  
HETATM   54  H5* UNL     1      -8.334   3.357  -0.438  1.00  0.00           H  
CONECT    1    9   30                                                 
CONECT    2   27    5    9   31                                       
CONECT    3    4    9   29   32                                       
CONECT    4   28    3   33   34                                       
CONECT    5    8    2   29   35                                       
CONECT    6   23   23    8   36                                       
CONECT    7   23   22   22   20                                       
CONECT    8    6   20    5                                            
CONECT    9    2    3    1   37                                       
CONECT   10   11   26   38   39                                       
CONECT   11   12   10   40   41                                       
CONECT   12   13   11   42   43                                       
CONECT   13   14   12   44   45                                       
CONECT   14   15   13   19   19                                       
CONECT   15   16   16   14   46                                       
CONECT   16   15   15   17   47                                       
CONECT   17   16   18   18   48                                       
CONECT   18   17   17   19   49                                       
CONECT   19   14   14   18   50                                       
CONECT   20    7    8   24   24                                       
CONECT   21   25   25   24   51                                       
CONECT   22   26    7    7   25                                       
CONECT   23    6    6    7                                            
CONECT   24   20   20   21                                            
CONECT   25   22   21   21                                            
CONECT   26   10   22   52                                            
CONECT   27    2   53                                                 
CONECT   28    4   54                                                 
CONECT   29    5    3                                                 
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   21                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
