COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       7.220   2.227   2.485  1.00  0.00           N  
HETATM    2  C   UNL     1       6.460   1.535   3.369  1.00  0.00           C  
HETATM    3  N   UNL     1       5.120   1.367   3.384  1.00  0.00           N  
HETATM    4  C   UNL     1       4.555   2.007   2.350  1.00  0.00           C  
HETATM    5  C   UNL     1       5.197   2.750   1.372  1.00  0.00           C  
HETATM    6  C   UNL     1       6.582   2.849   1.465  1.00  0.00           C  
HETATM    7  N   UNL     1       7.315   3.582   0.515  1.00  0.00           N  
HETATM    8  N   UNL     1       4.292   3.258   0.474  1.00  0.00           N  
HETATM    9  C   UNL     1       3.121   2.831   0.899  1.00  0.00           C  
HETATM   10  N   UNL     1       3.227   2.069   2.033  1.00  0.00           N  
HETATM   11  C   UNL     1       2.122   1.444   2.758  1.00  0.00           C  
HETATM   12  C   UNL     1       1.457   2.354   3.779  1.00  0.00           C  
HETATM   13  O   UNL     1       2.147   2.354   5.013  1.00  0.00           O  
HETATM   14  C   UNL     1       0.074   1.742   3.873  1.00  0.00           C  
HETATM   15  O   UNL     1       0.127   0.567   4.682  1.00  0.00           O  
HETATM   16  O   UNL     1       1.089   1.060   1.831  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.199   1.333   2.429  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.881   2.428   1.621  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.127   2.738   2.221  1.00  0.00           O  
HETATM   20  P   UNL     1      -3.048   3.881   1.542  1.00  0.00           P  
HETATM   21  O   UNL     1      -4.356   4.166   2.221  1.00  0.00           O  
HETATM   22  O   UNL     1      -3.167   3.431  -0.007  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.017   5.125   1.494  1.00  0.00           O  
HETATM   24  P   UNL     1      -2.158   6.595   0.835  1.00  0.00           P  
HETATM   25  O   UNL     1      -3.349   7.273   1.695  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.392   6.585  -0.648  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.823   7.380   1.306  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.495   7.458   2.682  1.00  0.00           C  
HETATM   29  N   UNL     1       1.451   7.598   4.225  1.00  0.00           N  
HETATM   30  C   UNL     1       2.584   6.673   4.407  1.00  0.00           C  
HETATM   31  O   UNL     1       3.942   7.281   2.533  1.00  0.00           O  
HETATM   32  C   UNL     1       3.036   6.292   3.009  1.00  0.00           C  
HETATM   33  O   UNL     1       1.955   6.427   0.846  1.00  0.00           O  
HETATM   34  C   UNL     1       1.729   6.314   2.237  1.00  0.00           C  
HETATM   35  C   UNL     1       1.021   7.534   2.818  1.00  0.00           C  
HETATM   36  H   UNL     1       7.003   1.049   4.172  1.00  0.00           H  
HETATM   37  H   UNL     1       6.827   4.088  -0.199  1.00  0.00           H  
HETATM   38  H   UNL     1       8.315   3.515   0.506  1.00  0.00           H  
HETATM   39  H   UNL     1       2.168   3.039   0.431  1.00  0.00           H  
HETATM   40  H   UNL     1       2.547   0.542   3.211  1.00  0.00           H  
HETATM   41  H   UNL     1       1.394   3.384   3.408  1.00  0.00           H  
HETATM   42  H   UNL     1       2.020   1.477   5.414  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.677   2.410   4.304  1.00  0.00           H  
HETATM   44  H   UNL     1       0.225   0.870   5.597  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.793   0.416   2.368  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.058   2.094   0.594  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.265   3.332   1.602  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.727   3.960  -0.614  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.718   8.132   1.397  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.954   8.349   3.111  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.872   6.570   3.192  1.00  0.00           H  
HETATM   52  H   UNL     1       0.692   7.332   4.851  1.00  0.00           H  
HETATM   53  H   UNL     1       2.231   5.784   4.943  1.00  0.00           H  
HETATM   54  H   UNL     1       3.372   7.152   4.994  1.00  0.00           H  
HETATM   55  H   UNL     1       3.594   8.139   2.822  1.00  0.00           H  
HETATM   56  H   UNL     1       3.537   5.321   2.965  1.00  0.00           H  
HETATM   57  H   UNL     1       2.184   7.355   0.665  1.00  0.00           H  
HETATM   58  H   UNL     1       1.158   5.398   2.431  1.00  0.00           H  
HETATM   59  H   UNL     1       1.355   8.445   2.307  1.00  0.00           H  
CONECT    1    2    2    6                                            
CONECT    2    1    1    3   36                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   10                                       
CONECT    5    4    6    6    8                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6   37   38                                            
CONECT    8    5    9    9                                            
CONECT    9    8    8   10   39                                       
CONECT   10    4    9   11                                            
CONECT   11   10   16   12   40                                       
CONECT   12   11   13   14   41                                       
CONECT   13   12   42                                                 
CONECT   14   12   17   15   43                                       
CONECT   15   14   44                                                 
CONECT   16   11   17                                                 
CONECT   17   14   16   18   45                                       
CONECT   18   17   19   46   47                                       
CONECT   19   18   20                                                 
CONECT   20   19   23   21   21                                       
CONECT   20   22                                                      
CONECT   21   20   20                                                 
CONECT   22   20   48                                                 
CONECT   23   20   24                                                 
CONECT   24   23   26   26   25                                       
CONECT   24   27                                                      
CONECT   25   24   49                                                 
CONECT   26   24   24                                                 
CONECT   27   24   28                                                 
CONECT   28   27   35   50   51                                       
CONECT   29   35   30   52                                            
CONECT   30   29   32   53   54                                       
CONECT   31   32   55                                                 
CONECT   32   30   31   34   56                                       
CONECT   33   34   57                                                 
CONECT   34   32   33   35   58                                       
CONECT   35   28   29   34   59                                       
CONECT   36    2                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   22                                                      
CONECT   49   25                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
CONECT   55   31                                                      
CONECT   56   32                                                      
CONECT   57   33                                                      
CONECT   58   34                                                      
CONECT   59   35                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
