COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.284  -1.053   0.564  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.242   0.927   0.256  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.128   2.934   0.139  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.251   2.248   0.110  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.843   1.045   0.468  1.00  0.00           C  
HETATM    6  O2* UNL     1      -7.156   1.536  -1.826  1.00  0.00           O  
HETATM    7  C2* UNL     1      -7.024   0.186  -1.379  1.00  0.00           C  
HETATM    8  O   UNL     1       8.054  -1.643  -1.161  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.568  -1.244   0.465  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.015   0.269   0.444  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.951   2.360   0.313  1.00  0.00           N  
HETATM   12  C1* UNL     1      -6.646   0.146   0.118  1.00  0.00           C  
HETATM   13  O   UNL     1       9.070  -0.051   0.004  1.00  0.00           O  
HETATM   14  C5* UNL     1      -9.345  -2.306   0.088  1.00  0.00           C  
HETATM   15  O4* UNL     1      -7.369  -0.985   0.652  1.00  0.00           O  
HETATM   16  C4* UNL     1      -8.669  -0.934   0.025  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.605   0.453   0.650  1.00  0.00           N  
HETATM   18  N   UNL     1      -5.202  -0.052   0.275  1.00  0.00           N  
HETATM   19  C3* UNL     1      -8.386  -0.541  -1.441  1.00  0.00           C  
HETATM   20  O3* UNL     1      -9.401   0.339  -1.929  1.00  0.00           O  
HETATM   21  C   UNL     1       0.605   1.278   0.672  1.00  0.00           C  
HETATM   22  C   UNL     1       1.828   0.383   0.886  1.00  0.00           C  
HETATM   23  C   UNL     1       3.092   1.245   0.909  1.00  0.00           C  
HETATM   24  C   UNL     1       4.315   0.350   1.123  1.00  0.00           C  
HETATM   25  C   UNL     1       5.564   1.222   1.271  1.00  0.00           C  
HETATM   26  C   UNL     1       6.781   0.324   1.520  1.00  0.00           C  
HETATM   27  C   UNL     1       7.998  -0.818  -0.271  1.00  0.00           C  
HETATM   28  C   UNL     1      10.258  -0.265  -0.803  1.00  0.00           C  
HETATM   29  C   UNL     1      10.734  -1.710  -0.637  1.00  0.00           C  
HETATM   30  C   UNL     1       9.930  -0.001  -2.274  1.00  0.00           C  
HETATM   31  C   UNL     1      11.363   0.691  -0.348  1.00  0.00           C  
HETATM   32  C   UNL     1       5.686  -1.499   0.153  1.00  0.00           C  
HETATM   33  C   UNL     1       4.481  -0.581  -0.080  1.00  0.00           C  
HETATM   34  N   UNL     1       6.864  -0.669   0.441  1.00  0.00           N  
HETATM   35  O5* UNL     1      -9.637  -2.631   1.449  1.00  0.00           O  
HETATM   36  H   UNL     1      -3.171   4.006   0.016  1.00  0.00           H  
HETATM   37  H2* UNL     1      -7.393   1.620  -2.760  1.00  0.00           H  
HETATM   38  H2* UNL     1      -6.279  -0.342  -1.975  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.058  -2.204   0.525  1.00  0.00           H  
HETATM   40  H1* UNL     1      -6.959   1.065   0.613  1.00  0.00           H  
HETATM   41 H5*1 UNL     1     -10.271  -2.281  -0.486  1.00  0.00           H  
HETATM   42 H5*2 UNL     1      -8.677  -3.059  -0.330  1.00  0.00           H  
HETATM   43  H4* UNL     1      -9.294  -0.182   0.507  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.539  -0.508   0.762  1.00  0.00           H  
HETATM   45  H3* UNL     1      -8.316  -1.430  -2.068  1.00  0.00           H  
HETATM   46  H3* UNL     1     -10.277  -0.066  -1.989  1.00  0.00           H  
HETATM   47  H   UNL     1       0.703   1.806  -0.276  1.00  0.00           H  
HETATM   48  H   UNL     1       0.537   2.000   1.485  1.00  0.00           H  
HETATM   49  H   UNL     1       1.731  -0.145   1.834  1.00  0.00           H  
HETATM   50  H   UNL     1       1.896  -0.340   0.073  1.00  0.00           H  
HETATM   51  H   UNL     1       3.190   1.773  -0.039  1.00  0.00           H  
HETATM   52  H   UNL     1       3.024   1.967   1.722  1.00  0.00           H  
HETATM   53  H   UNL     1       4.177  -0.244   2.026  1.00  0.00           H  
HETATM   54  H   UNL     1       5.717   1.798   0.359  1.00  0.00           H  
HETATM   55  H   UNL     1       5.435   1.902   2.114  1.00  0.00           H  
HETATM   56  H   UNL     1       7.687   0.931   1.528  1.00  0.00           H  
HETATM   57  H   UNL     1       6.672  -0.182   2.479  1.00  0.00           H  
HETATM   58  H   UNL     1      11.625  -1.871  -1.243  1.00  0.00           H  
HETATM   59  H   UNL     1      10.967  -1.898   0.411  1.00  0.00           H  
HETATM   60  H   UNL     1       9.947  -2.391  -0.962  1.00  0.00           H  
HETATM   61  H   UNL     1       9.592   1.028  -2.392  1.00  0.00           H  
HETATM   62  H   UNL     1      10.822  -0.162  -2.880  1.00  0.00           H  
HETATM   63  H   UNL     1       9.143  -0.682  -2.598  1.00  0.00           H  
HETATM   64  H   UNL     1      11.025   1.720  -0.466  1.00  0.00           H  
HETATM   65  H   UNL     1      11.597   0.503   0.700  1.00  0.00           H  
HETATM   66  H   UNL     1      12.255   0.530  -0.953  1.00  0.00           H  
HETATM   67  H   UNL     1       5.486  -2.156   0.999  1.00  0.00           H  
HETATM   68  H   UNL     1       5.869  -2.096  -0.741  1.00  0.00           H  
HETATM   69  H   UNL     1       3.582  -1.185  -0.199  1.00  0.00           H  
HETATM   70  H   UNL     1       4.644   0.012  -0.980  1.00  0.00           H  
HETATM   71  H5* UNL     1     -10.067  -3.489   1.565  1.00  0.00           H  
CONECT    1    9    9   10                                            
CONECT    2   10   10   18    4                                       
CONECT    3   11    4    4   36                                       
CONECT    4    2    3    3                                            
CONECT    5   17   10   11   11                                       
CONECT    6    7   37                                                 
CONECT    7    6   12   19   38                                       
CONECT    8   27   27                                                 
CONECT    9    1    1   18   39                                       
CONECT   10    1    5    2    2                                       
CONECT   11    5    5    3                                            
CONECT   12   18    7   15   40                                       
CONECT   13   28   27                                                 
CONECT   14   16   35   41   42                                       
CONECT   15   12   16                                                 
CONECT   16   19   14   15   43                                       
CONECT   17   21    5   44                                            
CONECT   18    9    2   12                                            
CONECT   19    7   16   20   45                                       
CONECT   20   19   46                                                 
CONECT   21   22   17   47   48                                       
CONECT   22   23   21   49   50                                       
CONECT   23   24   22   51   52                                       
CONECT   24   33   25   23   53                                       
CONECT   25   26   24   54   55                                       
CONECT   26   34   25   56   57                                       
CONECT   27    8    8   13   34                                       
CONECT   28   29   30   13   31                                       
CONECT   29   28   58   59   60                                       
CONECT   30   28   61   62   63                                       
CONECT   31   28   64   65   66                                       
CONECT   32   34   33   67   68                                       
CONECT   33   32   24   69   70                                       
CONECT   34   27   32   26                                            
CONECT   35   14   71                                                 
CONECT   36    3                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    9                                                      
CONECT   40   12                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   26                                                      
CONECT   58   29                                                      
CONECT   59   29                                                      
CONECT   60   29                                                      
CONECT   61   30                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   31                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   35                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
