COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.256   2.028   0.805  1.00  0.00           C  
HETATM    2  C   UNL     1       2.905  -2.715  -0.037  1.00  0.00           C  
HETATM    3  C   UNL     1       1.148   0.784   1.232  1.00  0.00           C  
HETATM    4  C   UNL     1       2.139  -3.839  -0.017  1.00  0.00           C  
HETATM    5  C   UNL     1       0.815  -3.814   0.413  1.00  0.00           C  
HETATM    6  C   UNL     1       0.222  -2.664   0.835  1.00  0.00           C  
HETATM    7  N   UNL     1       0.609   1.994   1.638  1.00  0.00           N  
HETATM    8  N   UNL     1       2.626   3.145   1.227  1.00  0.00           N  
HETATM    9  C   UNL     1       1.346   3.116   1.627  1.00  0.00           C  
HETATM   10  C   UNL     1       2.495   0.756   0.793  1.00  0.00           C  
HETATM   11  C   UNL     1       2.351  -1.492   0.387  1.00  0.00           C  
HETATM   12  C   UNL     1       0.957  -1.467   0.839  1.00  0.00           C  
HETATM   13  C   UNL     1       2.740  -5.144  -0.472  1.00  0.00           C  
HETATM   14  C   UNL     1       0.018  -5.093   0.410  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.973  -0.269   1.703  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.892   0.018   0.514  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.351  -0.059   0.967  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.270   0.229  -0.222  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.729   0.152   0.231  1.00  0.00           C  
HETATM   20  C   UNL     1       4.707   0.843  -0.924  1.00  0.00           C  
HETATM   21  C   UNL     1       4.454  -0.367  -0.063  1.00  0.00           C  
HETATM   22  C   UNL     1       4.721  -1.617  -0.861  1.00  0.00           C  
HETATM   23  C   UNL     1       3.675   1.398  -1.657  1.00  0.00           C  
HETATM   24  C   UNL     1       3.906   2.512  -2.443  1.00  0.00           C  
HETATM   25  C   UNL     1       5.169   3.071  -2.496  1.00  0.00           C  
HETATM   26  C   UNL     1       6.201   2.516  -1.762  1.00  0.00           C  
HETATM   27  C   UNL     1       5.971   1.402  -0.977  1.00  0.00           C  
HETATM   28  N   UNL     1       0.418  -0.313   1.245  1.00  0.00           N1+
HETATM   29  N   UNL     1       3.059  -0.363   0.386  1.00  0.00           N1+
HETATM   30  N   UNL     1       3.994  -1.880  -1.964  1.00  0.00           N  
HETATM   31  O   UNL     1       0.830   4.153   1.997  1.00  0.00           O  
HETATM   32  O   UNL     1       4.414   2.065   0.440  1.00  0.00           O  
HETATM   33  O   UNL     1      -6.588   0.305  -0.900  1.00  0.00           O  
HETATM   34  O   UNL     1      -8.835   0.608  -2.232  1.00  0.00           O  
HETATM   35  O   UNL     1      -8.674  -1.186  -0.317  1.00  0.00           O  
HETATM   36  O   UNL     1      -8.642   1.286   0.191  1.00  0.00           O  
HETATM   37  O   UNL     1      -3.997   1.536  -0.729  1.00  0.00           O  
HETATM   38  O   UNL     1      -3.624  -1.367   1.474  1.00  0.00           O  
HETATM   39  O   UNL     1      -1.619   1.326   0.007  1.00  0.00           O  
HETATM   40  O   UNL     1       5.592  -2.385  -0.511  1.00  0.00           O  
HETATM   41  O   UNL     1       5.320  -0.333   1.073  1.00  0.00           O  
HETATM   42  P   UNL     1      -8.194   0.275  -0.793  1.00  0.00           P  
HETATM   43  H   UNL     1       3.929  -2.760  -0.375  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.807  -2.671   1.163  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.314   2.031   1.934  1.00  0.00           H  
HETATM   46  H   UNL     1       3.110   3.986   1.242  1.00  0.00           H  
HETATM   47  H   UNL     1       3.262  -5.614   0.361  1.00  0.00           H  
HETATM   48  H   UNL     1       1.948  -5.806  -0.824  1.00  0.00           H  
HETATM   49  H   UNL     1       3.444  -4.957  -1.283  1.00  0.00           H  
HETATM   50  H   UNL     1       0.069  -5.555   1.396  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.021  -4.873   0.166  1.00  0.00           H  
HETATM   52  H   UNL     1       0.430  -5.777  -0.332  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.085   0.518   2.448  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.240  -1.229   2.145  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.715  -0.719  -0.269  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.528   0.679   1.750  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.093  -0.509  -1.005  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.914  -0.815   0.699  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.930   0.947   0.949  1.00  0.00           H  
HETATM   60  H   UNL     1       2.688   0.962  -1.616  1.00  0.00           H  
HETATM   61  H   UNL     1       3.100   2.945  -3.016  1.00  0.00           H  
HETATM   62  H   UNL     1       5.350   3.940  -3.110  1.00  0.00           H  
HETATM   63  H   UNL     1       7.188   2.953  -1.803  1.00  0.00           H  
HETATM   64  H   UNL     1       6.776   0.971  -0.401  1.00  0.00           H  
HETATM   65  H   UNL     1       3.348  -1.232  -2.286  1.00  0.00           H  
HETATM   66  H   UNL     1       4.116  -2.718  -2.437  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.802   0.607  -2.242  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.415  -1.900  -0.916  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.134   2.245  -0.085  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.487  -2.075   0.830  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.756   2.034   0.651  1.00  0.00           H  
HETATM   72  H   UNL     1       5.203   0.446   1.634  1.00  0.00           H  
CONECT    1    8   10   32   32                                       
CONECT    2   11   11    4   43                                       
CONECT    3    7   28   28   10                                       
CONECT    4    5    5    2   13                                       
CONECT    5    6   14    4    4                                       
CONECT    6   12   12    5   44                                       
CONECT    7    9    3   45                                            
CONECT    8    9    1   46                                            
CONECT    9   31   31    7    8                                       
CONECT   10    3    1   29   29                                       
CONECT   11   12   29    2    2                                       
CONECT   12   28    6    6   11                                       
CONECT   13    4   47   48   49                                       
CONECT   14    5   50   51   52                                       
CONECT   15   16   28   53   54                                       
CONECT   16   17   39   15   55                                       
CONECT   17   38   16   18   56                                       
CONECT   18   17   19   37   57                                       
CONECT   19   18   33   58   59                                       
CONECT   20   21   23   23   27                                       
CONECT   21   41   29   22   20                                       
CONECT   22   30   21   40   40                                       
CONECT   23   20   20   24   60                                       
CONECT   24   23   25   25   61                                       
CONECT   25   24   24   26   62                                       
CONECT   26   27   27   25   63                                       
CONECT   27   20   26   26   64                                       
CONECT   28   15    3    3   12                                       
CONECT   29   10   10   21   11                                       
CONECT   30   22   65   66                                            
CONECT   31    9    9                                                 
CONECT   32    1    1                                                 
CONECT   33   19   42                                                 
CONECT   34   42   67                                                 
CONECT   35   42   68                                                 
CONECT   36   42   42                                                 
CONECT   37   18   69                                                 
CONECT   38   17   70                                                 
CONECT   39   16   71                                                 
CONECT   40   22   22                                                 
CONECT   41   21   72                                                 
CONECT   42   33   36   36   34                                       
CONECT   42   35                                                      
CONECT   43    2                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   37                                                      
CONECT   70   38                                                      
CONECT   71   39                                                      
CONECT   72   41                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
