COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.774   3.132   1.838  1.00  0.00           C  
HETATM    2  C   UNL     1       1.949   1.571   0.214  1.00  0.00           C  
HETATM    3  C   UNL     1       2.050   1.131  -1.248  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.193   0.210  -1.997  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.162   0.406  -0.830  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.249  -0.888  -0.015  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.266  -0.703   1.115  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.622  -0.321   0.516  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.794   1.394  -0.726  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.713   1.747   0.462  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.485   0.479   0.757  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.203   0.106   1.882  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.836  -1.120   1.927  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.754  -1.979   0.846  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.039  -1.609  -0.276  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.404  -0.379  -0.323  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.569   0.255  -1.422  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.550   0.756  -1.372  1.00  0.00           C  
HETATM   19  C   UNL     1       2.058   3.909  -0.316  1.00  0.00           C  
HETATM   20  C   UNL     1       1.584  -1.260  -1.210  1.00  0.00           C  
HETATM   21  C   UNL     1       2.910  -1.475  -0.585  1.00  0.00           C  
HETATM   22  C   UNL     1       4.924  -0.594   0.126  1.00  0.00           C  
HETATM   23  C   UNL     1       5.351  -1.874   0.567  1.00  0.00           C  
HETATM   24  C   UNL     1       4.493  -2.977   0.401  1.00  0.00           C  
HETATM   25  C   UNL     1       3.274  -2.767  -0.176  1.00  0.00           C  
HETATM   26  C   UNL     1       5.788   0.512   0.294  1.00  0.00           C  
HETATM   27  C   UNL     1       7.011   0.330   0.873  1.00  0.00           C  
HETATM   28  C   UNL     1       7.423  -0.929   1.302  1.00  0.00           C  
HETATM   29  C   UNL     1       6.617  -2.017   1.157  1.00  0.00           C  
HETATM   30  N   UNL     1       2.715   2.810   0.406  1.00  0.00           N1+
HETATM   31  N   UNL     1       1.159  -0.009  -1.477  1.00  0.00           N  
HETATM   32  N   UNL     1      -3.486   0.922  -0.252  1.00  0.00           N  
HETATM   33  N   UNL     1       3.724  -0.448  -0.430  1.00  0.00           N  
HETATM   34  O   UNL     1       0.879  -2.212  -1.481  1.00  0.00           O  
HETATM   35  O   UNL     1       5.405   1.747  -0.120  1.00  0.00           O  
HETATM   36  H   UNL     1       3.261   2.318   2.374  1.00  0.00           H  
HETATM   37  H   UNL     1       3.342   4.052   1.980  1.00  0.00           H  
HETATM   38  H   UNL     1       1.763   3.267   2.222  1.00  0.00           H  
HETATM   39  H   UNL     1       0.904   1.747   0.469  1.00  0.00           H  
HETATM   40  H   UNL     1       2.354   0.791   0.857  1.00  0.00           H  
HETATM   41  H   UNL     1       1.758   1.957  -1.897  1.00  0.00           H  
HETATM   42  H   UNL     1       3.077   0.840  -1.470  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.501  -0.655  -2.585  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.199   1.099  -2.628  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.806   1.214  -0.192  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.568  -1.705  -0.662  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.271  -1.118   0.408  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.364  -1.635   1.672  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.927   0.088   1.784  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.966  -1.119  -0.141  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.345  -0.175   1.319  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.678   2.248  -1.394  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.118   2.037   1.328  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.396   2.552   0.187  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.267   0.776   2.726  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.394  -1.409   2.805  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.249  -2.939   0.880  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.976  -2.280  -1.119  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.214   0.656  -2.204  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.877  -0.476  -1.841  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.494   1.685  -1.940  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.900  -0.046  -2.021  1.00  0.00           H  
HETATM   63  H   UNL     1       2.014   3.670  -1.379  1.00  0.00           H  
HETATM   64  H   UNL     1       1.047   4.043   0.068  1.00  0.00           H  
HETATM   65  H   UNL     1       2.626   4.828  -0.174  1.00  0.00           H  
HETATM   66  H   UNL     1       4.789  -3.964   0.726  1.00  0.00           H  
HETATM   67  H   UNL     1       2.592  -3.592  -0.317  1.00  0.00           H  
HETATM   68  H   UNL     1       7.670   1.177   0.999  1.00  0.00           H  
HETATM   69  H   UNL     1       8.395  -1.044   1.757  1.00  0.00           H  
HETATM   70  H   UNL     1       6.950  -2.987   1.495  1.00  0.00           H  
HETATM   71  H   UNL     1       5.041   2.302   0.584  1.00  0.00           H  
HETATM   72  H   UNL     1       3.651   2.686   0.050  1.00  0.00           H  
CONECT    1   30   36   37   38                                       
CONECT    2    3   30   39   40                                       
CONECT    3   31    2   41   42                                       
CONECT    4    5   31   43   44                                       
CONECT    5   18    6    4   45                                       
CONECT    6    7    5   46   47                                       
CONECT    7    8    6   48   49                                       
CONECT    8   32    7   50   51                                       
CONECT    9   17   10   32   52                                       
CONECT   10   11    9   53   54                                       
CONECT   11   16   16   12   10                                       
CONECT   12   13   13   11   55                                       
CONECT   13   14   12   12   56                                       
CONECT   14   15   15   13   57                                       
CONECT   15   14   14   16   58                                       
CONECT   16   15   17   11   11                                       
CONECT   17   16    9   59   60                                       
CONECT   18   32    5   61   62                                       
CONECT   19   30   63   64   65                                       
CONECT   20   34   34   31   21                                       
CONECT   21   20   25   25   33                                       
CONECT   22   33   33   23   26                                       
CONECT   23   24   24   22   29                                       
CONECT   24   25   23   23   66                                       
CONECT   25   21   21   24   67                                       
CONECT   26   22   35   27   27                                       
CONECT   27   26   26   28   68                                       
CONECT   28   29   29   27   69                                       
CONECT   29   23   28   28   70                                       
CONECT   30    2   19    1   72                                       
CONECT   31    4   20    3                                            
CONECT   32    9    8   18                                            
CONECT   33   21   22   22                                            
CONECT   34   20   20                                                 
CONECT   35   26   71                                                 
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   35                                                      
CONECT   72   30                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
