COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.403  -0.918   1.695  1.00  0.00           C  
HETATM    2  C   UNL     1       7.933  -2.105   2.060  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.392  -6.099   0.182  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.187  -3.788  -0.484  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.506  -2.560  -0.440  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.340  -2.475   0.339  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.751  -0.535  -0.624  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.693  -0.618   0.834  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.451  -0.924  -0.025  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.874   0.471  -0.368  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.492   1.360   0.741  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.567   2.818   0.284  1.00  0.00           C  
HETATM   13  C   UNL     1       3.138   1.174  -1.849  1.00  0.00           C  
HETATM   14  C   UNL     1       4.394   1.452  -1.020  1.00  0.00           C  
HETATM   15  C   UNL     1       5.618   1.637  -1.943  1.00  0.00           C  
HETATM   16  C   UNL     1       6.777   0.972  -1.167  1.00  0.00           C  
HETATM   17  C   UNL     1       6.115   0.464   0.134  1.00  0.00           C  
HETATM   18  C   UNL     1       7.741  -3.231   1.225  1.00  0.00           C  
HETATM   19  C   UNL     1       6.516  -1.902  -0.255  1.00  0.00           C  
HETATM   20  C   UNL     1       8.720  -2.228   3.339  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.597  -4.681   0.932  1.00  0.00           C  
HETATM   22  N   UNL     1      -6.698  -4.809   0.213  1.00  0.00           N1+
HETATM   23  N   UNL     1      -4.887  -1.188   0.204  1.00  0.00           N  
HETATM   24  N   UNL     1      -6.701  -1.342  -1.001  1.00  0.00           N  
HETATM   25  N   UNL     1       6.691  -0.824   0.530  1.00  0.00           N  
HETATM   26  N   UNL     1       7.034  -3.097   0.085  1.00  0.00           N  
HETATM   27  N   UNL     1      -4.927  -3.551   1.002  1.00  0.00           N  
HETATM   28  N   UNL     1      -8.344  -3.930  -1.230  1.00  0.00           N  
HETATM   29  O   UNL     1      -3.817   0.812   0.912  1.00  0.00           O  
HETATM   30  O   UNL     1      -3.031   3.632   1.363  1.00  0.00           O  
HETATM   31  O   UNL     1      -3.921   5.536  -0.036  1.00  0.00           O  
HETATM   32  O   UNL     1      -4.118   5.754   2.471  1.00  0.00           O  
HETATM   33  O   UNL     1      -1.910   5.891   1.257  1.00  0.00           O  
HETATM   34  O   UNL     1      -0.447   0.468  -0.282  1.00  0.00           O  
HETATM   35  O   UNL     1      -0.010   2.062  -2.190  1.00  0.00           O  
HETATM   36  O   UNL     1       2.000   1.122  -0.987  1.00  0.00           O  
HETATM   37  O   UNL     1       4.719   0.309  -0.199  1.00  0.00           O  
HETATM   38  O   UNL     1       5.880  -1.796  -1.286  1.00  0.00           O  
HETATM   39  O   UNL     1       8.210  -4.312   1.533  1.00  0.00           O  
HETATM   40  O   UNL     1       5.886   3.025  -2.148  1.00  0.00           O  
HETATM   41  O   UNL     1       0.528  -0.275  -2.489  1.00  0.00           O  
HETATM   42  P   UNL     1      -3.231   5.225   1.236  1.00  0.00           P1-
HETATM   43  P   UNL     1       0.507   0.846  -1.523  1.00  0.00           P1-
HETATM   44  H   UNL     1       7.535  -0.048   2.322  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.001  -6.702  -0.637  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.232  -6.620   1.126  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.459  -5.934   0.035  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.662   0.499  -0.923  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.566  -1.036   1.832  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.727  -1.507   0.545  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.736  -1.452  -0.935  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.202   0.796  -1.355  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.918   1.277   1.664  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.577   3.154  -0.025  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.257   2.901  -0.556  1.00  0.00           H  
HETATM   56  H   UNL     1       3.004   1.969  -2.582  1.00  0.00           H  
HETATM   57  H   UNL     1       3.248   0.219  -2.364  1.00  0.00           H  
HETATM   58  H   UNL     1       4.249   2.337  -0.400  1.00  0.00           H  
HETATM   59  H   UNL     1       5.458   1.133  -2.896  1.00  0.00           H  
HETATM   60  H   UNL     1       7.189   0.138  -1.736  1.00  0.00           H  
HETATM   61  H   UNL     1       7.554   1.702  -0.940  1.00  0.00           H  
HETATM   62  H   UNL     1       6.238   1.195   0.932  1.00  0.00           H  
HETATM   63  H   UNL     1       8.047  -2.487   4.157  1.00  0.00           H  
HETATM   64  H   UNL     1       9.474  -3.007   3.229  1.00  0.00           H  
HETATM   65  H   UNL     1       9.209  -1.278   3.558  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.234  -5.536   1.483  1.00  0.00           H  
HETATM   67  H   UNL     1       6.898  -3.864  -0.493  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.694  -3.177  -1.730  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.806  -4.783  -1.252  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.279   6.708   2.460  1.00  0.00           H  
HETATM   71  H   UNL     1       6.645   3.199  -2.721  1.00  0.00           H  
CONECT    1    2    2   25   44                                       
CONECT    2    1    1   18   20                                       
CONECT    3   22   45   46   47                                       
CONECT    4    5   22   22   28                                       
CONECT    5    4    6    6   24                                       
CONECT    6    5    5   23   27                                       
CONECT    7   23   24   24   48                                       
CONECT    8    9   23   29   49                                       
CONECT    9    8   10   50   51                                       
CONECT   10    9   11   34   52                                       
CONECT   11   10   12   53   29                                       
CONECT   12   11   30   54   55                                       
CONECT   13   14   36   56   57                                       
CONECT   14   13   15   37   58                                       
CONECT   15   14   16   40   59                                       
CONECT   16   15   17   60   61                                       
CONECT   17   16   25   37   62                                       
CONECT   18    2   26   39   39                                       
CONECT   19   25   26   38   38                                       
CONECT   20    2   63   64   65                                       
CONECT   21   22   27   27   66                                       
CONECT   22    3    4    4   21                                       
CONECT   23    6    7    8                                            
CONECT   24    5    7    7                                            
CONECT   25    1   17   19                                            
CONECT   26   18   19   67                                            
CONECT   27    6   21   21                                            
CONECT   28    4   68   69                                            
CONECT   29    8   11                                                 
CONECT   30   12   42                                                 
CONECT   31   42   42                                                 
CONECT   32   42   70                                                 
CONECT   33   42   42                                                 
CONECT   34   10   43                                                 
CONECT   35   43   43                                                 
CONECT   36   13   43                                                 
CONECT   37   14   17                                                 
CONECT   38   19   19                                                 
CONECT   39   18   18                                                 
CONECT   40   15   71                                                 
CONECT   41   43   43                                                 
CONECT   42   30   31   31   32                                       
CONECT   42   33   33                                                 
CONECT   43   34   35   35   36                                       
CONECT   43   41   41                                                 
CONECT   44    1                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   26                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   32                                                      
CONECT   71   40                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
