COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.674   0.228   8.062  1.00  0.00           C  
HETATM    2  N   UNL     1       0.001   0.731   9.151  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.935   1.159  10.039  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.123   0.934   9.528  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.986   0.370   8.316  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.680   1.735  11.272  1.00  0.00           N  
HETATM    7  N   UNL     1       0.445  -1.488   2.736  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.376  -2.019   4.977  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.152  -0.913   3.944  1.00  0.00           C  
HETATM   10  C   UNL     1       0.788   0.143   4.524  1.00  0.00           C  
HETATM   11  C   UNL     1       0.164   0.743   5.786  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.059  -0.362   6.819  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.000  -1.419   6.239  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.456   0.162  -2.650  1.00  0.00           N  
HETATM   15  C   UNL     1       0.623   0.917  -2.350  1.00  0.00           C  
HETATM   16  O   UNL     1       1.002   1.896  -2.964  1.00  0.00           O  
HETATM   17  N   UNL     1       1.201   0.403  -1.266  1.00  0.00           N  
HETATM   18  N   UNL     1       0.438  -0.725  -0.880  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.564  -0.839  -1.749  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.427  -1.695  -1.735  1.00  0.00           O  
HETATM   21  C   UNL     1       2.388   0.807  -0.500  1.00  0.00           C  
HETATM   22  C   UNL     1       3.024  -0.451   0.042  1.00  0.00           C  
HETATM   23  C   UNL     1       2.321  -1.492   0.398  1.00  0.00           C  
HETATM   24  C   UNL     1       0.813  -1.523   0.290  1.00  0.00           C  
HETATM   25  C   UNL     1       4.524  -0.505   0.183  1.00  0.00           C  
HETATM   26  C   UNL     1       0.198  -0.933   1.532  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.517   0.042   1.450  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.861  -0.366  -5.003  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.366   0.393  -3.775  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.798  -0.129  -6.160  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.169   1.159  -6.495  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.028   1.377  -7.556  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.515   0.306  -8.282  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.143  -0.981  -7.947  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.281  -1.199  -6.889  1.00  0.00           C  
HETATM   36  C   UNL     1       0.517   0.121  -5.365  1.00  0.00           C  
HETATM   37  C   UNL     1       1.570  -0.771  -5.434  1.00  0.00           C  
HETATM   38  C   UNL     1       2.835  -0.323  -5.766  1.00  0.00           C  
HETATM   39  C   UNL     1       3.047   1.016  -6.028  1.00  0.00           C  
HETATM   40  C   UNL     1       1.994   1.909  -5.960  1.00  0.00           C  
HETATM   41  C   UNL     1       0.728   1.461  -5.633  1.00  0.00           C  
HETATM   42  H   UNL     1       0.964   0.772   9.264  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.792   0.075   7.661  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.416   2.011  11.840  1.00  0.00           H  
HETATM   45  H   UNL     1       0.234   1.863  11.567  1.00  0.00           H  
HETATM   46  H   UNL     1       1.018  -2.268   2.802  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.046  -2.772   4.563  1.00  0.00           H  
HETATM   48  H   UNL     1       0.578  -2.481   5.228  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.106  -0.451   3.692  1.00  0.00           H  
HETATM   50  H   UNL     1       1.743  -0.318   4.776  1.00  0.00           H  
HETATM   51  H   UNL     1       0.948   0.931   3.788  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.790   1.205   5.535  1.00  0.00           H  
HETATM   53  H   UNL     1       0.835   1.497   6.200  1.00  0.00           H  
HETATM   54  H   UNL     1       0.895  -0.823   7.071  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.955  -0.957   5.987  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.160  -2.207   6.975  1.00  0.00           H  
HETATM   57  H   UNL     1       2.094   1.465   0.317  1.00  0.00           H  
HETATM   58  H   UNL     1       3.093   1.321  -1.154  1.00  0.00           H  
HETATM   59  H   UNL     1       2.834  -2.361   0.782  1.00  0.00           H  
HETATM   60  H   UNL     1       0.472  -2.551   0.161  1.00  0.00           H  
HETATM   61  H   UNL     1       4.816  -1.473   0.590  1.00  0.00           H  
HETATM   62  H   UNL     1       4.986  -0.367  -0.794  1.00  0.00           H  
HETATM   63  H   UNL     1       4.854   0.286   0.856  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.823  -1.432  -4.780  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.363   0.040  -3.513  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.404   1.459  -3.998  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.788   1.996  -5.928  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.318   2.384  -7.818  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.186   0.476  -9.111  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.524  -1.818  -8.514  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.990  -2.206  -6.628  1.00  0.00           H  
HETATM   72  H   UNL     1       1.404  -1.818  -5.229  1.00  0.00           H  
HETATM   73  H   UNL     1       3.658  -1.021  -5.819  1.00  0.00           H  
HETATM   74  H   UNL     1       4.035   1.366  -6.287  1.00  0.00           H  
HETATM   75  H   UNL     1       2.159   2.956  -6.165  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.094   2.158  -5.579  1.00  0.00           H  
CONECT    1    2    5    5   12                                       
CONECT    2    1    3   42                                            
CONECT    3    2    4    4    6                                       
CONECT    4    3    3    5                                            
CONECT    5    1    1    4   43                                       
CONECT    6    3   44   45                                            
CONECT    7    9   26   46                                            
CONECT    8    9   13   47   48                                       
CONECT    9    7    8   10   49                                       
CONECT   10    9   11   50   51                                       
CONECT   11   10   12   52   53                                       
CONECT   12    1   11   13   54                                       
CONECT   13    8   12   55   56                                       
CONECT   14   15   19   29                                            
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   21                                            
CONECT   18   17   19   24                                            
CONECT   19   14   18   20   20                                       
CONECT   20   19   19                                                 
CONECT   21   17   22   57   58                                       
CONECT   22   21   23   23   25                                       
CONECT   23   22   22   24   59                                       
CONECT   24   18   23   26   60                                       
CONECT   25   22   61   62   63                                       
CONECT   26    7   24   27   27                                       
CONECT   27   26   26                                                 
CONECT   28   29   30   36   64                                       
CONECT   29   14   28   65   66                                       
CONECT   30   28   31   31   35                                       
CONECT   31   30   30   32   67                                       
CONECT   32   31   33   33   68                                       
CONECT   33   32   32   34   69                                       
CONECT   34   33   35   35   70                                       
CONECT   35   30   34   34   71                                       
CONECT   36   28   37   37   41                                       
CONECT   37   36   36   38   72                                       
CONECT   38   37   39   39   73                                       
CONECT   39   38   38   40   74                                       
CONECT   40   39   41   41   75                                       
CONECT   41   36   40   40   76                                       
CONECT   42    2                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   29                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   37                                                      
CONECT   73   38                                                      
CONECT   74   39                                                      
CONECT   75   40                                                      
CONECT   76   41                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
