COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O5* UNL     1      -4.240   4.219  -0.533  1.00  0.00           O  
HETATM    2  C   UNL     1       5.337   0.205   0.473  1.00  0.00           C  
HETATM    3  C   UNL     1       4.244  -0.393  -1.347  1.00  0.00           C  
HETATM    4  O3* UNL     1      -4.189   1.999   3.521  1.00  0.00           O  
HETATM    5  C   UNL     1       5.965  -0.899  -0.129  1.00  0.00           C  
HETATM    6  N   UNL     1       7.782  -2.504  -0.066  1.00  0.00           N  
HETATM    7  C   UNL     1       3.288   1.579  -0.095  1.00  0.00           C  
HETATM    8  C   UNL     1       1.366   2.546  -0.896  1.00  0.00           C  
HETATM    9  N   UNL     1       7.561  -0.844   1.595  1.00  0.00           N  
HETATM   10  C   UNL     1       0.304   2.464  -1.994  1.00  0.00           C  
HETATM   11  O2* UNL     1      -4.199  -0.557   3.037  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.804   1.458  -2.528  1.00  0.00           C  
HETATM   13  O   UNL     1       2.267   4.809  -0.683  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.837   0.556  -1.991  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.660  -0.163  -1.563  1.00  0.00           C  
HETATM   16  N   UNL     1       5.849   0.710   1.590  1.00  0.00           N  
HETATM   17  C   UNL     1      -4.664  -1.041  -1.041  1.00  0.00           C  
HETATM   18  O   UNL     1       4.398   3.736   0.205  1.00  0.00           O  
HETATM   19  C   UNL     1      -6.007  -2.739  -0.835  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.763  -3.922  -0.928  1.00  0.00           C  
HETATM   21  N   UNL     1       4.255   0.501  -0.317  1.00  0.00           N  
HETATM   22  N   UNL     1      10.721  -4.751   0.434  1.00  0.00           N  
HETATM   23  C   UNL     1       9.516  -4.222  -0.217  1.00  0.00           C  
HETATM   24  O   UNL     1       2.037   1.276  -0.749  1.00  0.00           O  
HETATM   25  C   UNL     1       8.984  -3.032   0.584  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.837  -3.348   1.033  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.238  -1.888   0.261  1.00  0.00           C  
HETATM   28  C1* UNL     1      -5.260   0.325   1.007  1.00  0.00           C  
HETATM   29  C4* UNL     1      -4.464   2.495   1.147  1.00  0.00           C  
HETATM   30  C   UNL     1       7.120  -1.419   0.481  1.00  0.00           C  
HETATM   31  C5* UNL     1      -3.500   3.399   0.375  1.00  0.00           C  
HETATM   32  C3* UNL     1      -3.691   1.698   2.216  1.00  0.00           C  
HETATM   33  C2* UNL     1      -3.969   0.217   1.858  1.00  0.00           C  
HETATM   34  C   UNL     1       2.481   3.537  -1.298  1.00  0.00           C  
HETATM   35  C   UNL     1       3.775   2.886  -0.759  1.00  0.00           C  
HETATM   36  C   UNL     1       6.933   0.190   2.126  1.00  0.00           C  
HETATM   37  N   UNL     1      -5.383  -0.825   0.109  1.00  0.00           N  
HETATM   38  N   UNL     1       5.248  -1.213  -1.234  1.00  0.00           N  
HETATM   39  N   UNL     1      -5.042  -2.171  -1.592  1.00  0.00           N  
HETATM   40  N   UNL     1      -6.580  -4.799  -1.982  1.00  0.00           N  
HETATM   41  N   UNL     1      -7.656  -4.179   0.022  1.00  0.00           N  
HETATM   42  N   UNL     1      -7.154  -2.230   1.161  1.00  0.00           N  
HETATM   43  O   UNL     1      -0.755   1.604  -1.569  1.00  0.00           O  
HETATM   44  O4* UNL     1      -5.067   1.543   0.255  1.00  0.00           O  
HETATM   45  H5* UNL     1      -3.692   4.818  -1.057  1.00  0.00           H  
HETATM   46  H   UNL     1       3.510  -0.417  -2.138  1.00  0.00           H  
HETATM   47  H3* UNL     1      -4.093   2.927   3.774  1.00  0.00           H  
HETATM   48  H   UNL     1       7.450  -2.915  -0.879  1.00  0.00           H  
HETATM   49  H   UNL     1       3.131   1.732   0.973  1.00  0.00           H  
HETATM   50  H   UNL     1       0.912   2.846   0.049  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.093   3.460  -2.190  1.00  0.00           H  
HETATM   52  H   UNL     1       0.753   2.067  -2.904  1.00  0.00           H  
HETATM   53  H2* UNL     1      -3.421  -0.654   3.603  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.400   1.039  -3.449  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.246   2.433  -2.735  1.00  0.00           H  
HETATM   56  H   UNL     1       2.938   5.470  -0.902  1.00  0.00           H  
HETATM   57  H   UNL     1       4.669   4.596  -0.145  1.00  0.00           H  
HETATM   58  H   UNL     1      11.092  -5.538  -0.076  1.00  0.00           H  
HETATM   59  H   UNL     1      11.419  -4.030   0.545  1.00  0.00           H  
HETATM   60  H   UNL     1       9.762  -3.898  -1.228  1.00  0.00           H  
HETATM   61  H   UNL     1       8.755  -5.000  -0.261  1.00  0.00           H  
HETATM   62  H   UNL     1       9.745  -2.253   0.628  1.00  0.00           H  
HETATM   63  H   UNL     1       8.738  -3.356   1.595  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.574  -3.595   1.783  1.00  0.00           H  
HETATM   65  H1* UNL     1      -6.137   0.406   1.648  1.00  0.00           H  
HETATM   66  H4* UNL     1      -5.237   3.099   1.622  1.00  0.00           H  
HETATM   67 H5*1 UNL     1      -2.795   2.784  -0.183  1.00  0.00           H  
HETATM   68 H5*2 UNL     1      -2.956   4.032   1.075  1.00  0.00           H  
HETATM   69  H3* UNL     1      -2.625   1.913   2.156  1.00  0.00           H  
HETATM   70  H2* UNL     1      -3.151  -0.202   1.273  1.00  0.00           H  
HETATM   71  H   UNL     1       2.526   3.641  -2.382  1.00  0.00           H  
HETATM   72  H   UNL     1       4.462   2.668  -1.577  1.00  0.00           H  
HETATM   73  H   UNL     1       7.326   0.627   3.032  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.106  -5.612  -2.034  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.924  -4.601  -2.670  1.00  0.00           H  
CONECT    1   31   45                                                 
CONECT    2    5    5   16   21                                       
CONECT    3   38   38   21   46                                       
CONECT    4   32   47                                                 
CONECT    5   30    2    2   38                                       
CONECT    6   25   30   48                                            
CONECT    7   35   21   24   49                                       
CONECT    8   34   24   10   50                                       
CONECT    9   30   30   36                                            
CONECT   10    8   43   51   52                                       
CONECT   11   33   53                                                 
CONECT   12   43   14   54   55                                       
CONECT   13   34   56                                                 
CONECT   14   12   15   15   15                                       
CONECT   15   17   14   14   14                                       
CONECT   16   36   36    2                                            
CONECT   17   39   39   15   37                                       
CONECT   18   35   57                                                 
CONECT   19   20   39   27   27                                       
CONECT   20   40   41   41   19                                       
CONECT   21    2    3    7                                            
CONECT   22   23   58   59                                            
CONECT   23   22   25   60   61                                       
CONECT   24    7    8                                                 
CONECT   25   23    6   62   63                                       
CONECT   26   41   42   42   64                                       
CONECT   27   19   19   42   37                                       
CONECT   28   44   37   33   65                                       
CONECT   29   44   31   32   66                                       
CONECT   30    6    9    9    5                                       
CONECT   31    1   29   67   68                                       
CONECT   32   29   33    4   69                                       
CONECT   33   28   32   11   70                                       
CONECT   34   35   13    8   71                                       
CONECT   35   18   34    7   72                                       
CONECT   36    9   16   16   73                                       
CONECT   37   17   27   28                                            
CONECT   38    5    3    3                                            
CONECT   39   19   17   17                                            
CONECT   40   20   74   75                                            
CONECT   41   20   20   26                                            
CONECT   42   26   26   27                                            
CONECT   43   10   12                                                 
CONECT   44   28   29                                                 
CONECT   45    1                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   18                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   36                                                      
CONECT   74   40                                                      
CONECT   75   40                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
