COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  O   UNL     1       4.556   4.567   8.763  1.00  0.00           O  
HETATM    2  C   UNL     1       3.850   4.512   7.764  1.00  0.00           C  
HETATM    3  N   UNL     1       3.792   3.435   6.869  1.00  0.00           N  
HETATM    4  C   UNL     1       2.975   3.375   5.715  1.00  0.00           C  
HETATM    5  N   UNL     1       3.079   2.221   4.983  1.00  0.00           N  
HETATM    6  N   UNL     1       2.169   4.354   5.365  1.00  0.00           N  
HETATM    7  C   UNL     1       2.961   5.564   7.356  1.00  0.00           C  
HETATM    8  C   UNL     1       2.211   5.403   6.216  1.00  0.00           C  
HETATM    9  N   UNL     1       2.731   6.767   7.955  1.00  0.00           N  
HETATM   10  C   UNL     1       1.836   7.343   7.178  1.00  0.00           C  
HETATM   11  N   UNL     1       1.487   6.555   6.107  1.00  0.00           N  
HETATM   12  C   UNL     1       0.525   6.901   5.062  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.148   5.710   4.608  1.00  0.00           O  
HETATM   14  C   UNL     1       1.151   7.530   3.827  1.00  0.00           C  
HETATM   15  O   UNL     1       1.342   8.922   3.985  1.00  0.00           O  
HETATM   16  C   UNL     1       0.126   7.189   2.763  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.989   8.073   2.874  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.314   5.787   3.174  1.00  0.00           C  
HETATM   19  C   UNL     1       0.524   4.690   2.533  1.00  0.00           C  
HETATM   20  O   UNL     1       0.053   3.430   2.978  1.00  0.00           O  
HETATM   21  P   UNL     1       0.202   2.157   1.992  1.00  0.00           P  
HETATM   22  O   UNL     1      -0.489   2.649   0.614  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.318   0.855   2.528  1.00  0.00           O  
HETATM   24  O   UNL     1       1.781   2.191   1.652  1.00  0.00           O  
HETATM   25  P   UNL     1       2.691   1.328   0.636  1.00  0.00           P  
HETATM   26  O   UNL     1       2.136   1.755  -0.822  1.00  0.00           O  
HETATM   27  O   UNL     1       2.692  -0.150   0.899  1.00  0.00           O  
HETATM   28  O   UNL     1       4.138   2.040   0.710  1.00  0.00           O  
HETATM   29  P   UNL     1       5.488   1.785  -0.141  1.00  0.00           P  
HETATM   30  O   UNL     1       5.379   1.985  -1.625  1.00  0.00           O  
HETATM   31  O   UNL     1       5.949   0.301   0.307  1.00  0.00           O  
HETATM   32  O   UNL     1       6.541   2.749   0.622  1.00  0.00           O  
HETATM   33  C   UNL     1       6.689   2.610   2.024  1.00  0.00           C  
HETATM   34  C   UNL     1       7.722   3.609   2.514  1.00  0.00           C  
HETATM   35  C   UNL     1       7.953   3.555   4.014  1.00  0.00           C  
HETATM   36  O   UNL     1       8.828   2.509   4.379  1.00  0.00           O  
HETATM   37  C   UNL     1       8.508   4.936   4.305  1.00  0.00           C  
HETATM   38  O   UNL     1       9.913   4.990   4.064  1.00  0.00           O  
HETATM   39  O   UNL     1       7.266   4.947   2.251  1.00  0.00           O  
HETATM   40  C   UNL     1       7.787   5.815   3.281  1.00  0.00           C  
HETATM   41  N   UNL     1       6.695   6.605   3.851  1.00  0.00           N  
HETATM   42  C   UNL     1       6.766   7.889   4.315  1.00  0.00           C  
HETATM   43  N   UNL     1       7.844   8.688   4.348  1.00  0.00           N  
HETATM   44  C   UNL     1       7.525   9.888   4.879  1.00  0.00           C  
HETATM   45  N   UNL     1       6.328  10.323   5.340  1.00  0.00           N  
HETATM   46  C   UNL     1       5.399   6.191   4.018  1.00  0.00           C  
HETATM   47  N   UNL     1       4.643   7.124   4.557  1.00  0.00           N  
HETATM   48  C   UNL     1       5.485   8.191   4.748  1.00  0.00           C  
HETATM   49  C   UNL     1       5.283   9.462   5.276  1.00  0.00           C  
HETATM   50  N   UNL     1       4.015   9.854   5.739  1.00  0.00           N  
HETATM   51  H   UNL     1       4.384   2.633   7.064  1.00  0.00           H  
HETATM   52  H   UNL     1       3.013   2.285   3.993  1.00  0.00           H  
HETATM   53  H   UNL     1       3.216   1.365   5.468  1.00  0.00           H  
HETATM   54  H   UNL     1       1.404   8.323   7.334  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.204   7.559   5.547  1.00  0.00           H  
HETATM   56  H   UNL     1       2.114   7.064   3.592  1.00  0.00           H  
HETATM   57  H   UNL     1       0.493   9.299   4.275  1.00  0.00           H  
HETATM   58  H   UNL     1       0.509   7.262   1.742  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.684   7.581   3.336  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.372   5.610   2.954  1.00  0.00           H  
HETATM   61  H   UNL     1       1.575   4.794   2.819  1.00  0.00           H  
HETATM   62  H   UNL     1       0.443   4.732   1.443  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.468   2.635   0.543  1.00  0.00           H  
HETATM   64  H   UNL     1       2.466   1.279  -1.614  1.00  0.00           H  
HETATM   65  H   UNL     1       6.726  -0.106  -0.131  1.00  0.00           H  
HETATM   66  H   UNL     1       5.722   2.792   2.501  1.00  0.00           H  
HETATM   67  H   UNL     1       7.010   1.587   2.244  1.00  0.00           H  
HETATM   68  H   UNL     1       8.655   3.449   1.961  1.00  0.00           H  
HETATM   69  H   UNL     1       7.000   3.424   4.540  1.00  0.00           H  
HETATM   70  H   UNL     1       8.833   2.482   5.348  1.00  0.00           H  
HETATM   71  H   UNL     1       8.351   5.243   5.343  1.00  0.00           H  
HETATM   72  H   UNL     1      10.039   5.052   3.101  1.00  0.00           H  
HETATM   73  H   UNL     1       8.454   6.545   2.810  1.00  0.00           H  
HETATM   74  H   UNL     1       8.339  10.603   4.944  1.00  0.00           H  
HETATM   75  H   UNL     1       5.068   5.202   3.728  1.00  0.00           H  
HETATM   76  H   UNL     1       3.651   9.449   6.580  1.00  0.00           H  
HETATM   77  H   UNL     1       3.451  10.462   5.175  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    7                                       
CONECT    3    2    4   51                                            
CONECT    4    3    5    6    6                                       
CONECT    5    4   52   53                                            
CONECT    6    4    4    8                                            
CONECT    7    2    8    8    9                                       
CONECT    8    6    7    7   11                                       
CONECT    9    7   10   10                                            
CONECT   10    9    9   11   54                                       
CONECT   11    8   10   12                                            
CONECT   12   11   14   13   55                                       
CONECT   13   12   18                                                 
CONECT   14   12   15   16   56                                       
CONECT   15   14   57                                                 
CONECT   16   14   17   18   58                                       
CONECT   17   16   59                                                 
CONECT   18   13   16   19   60                                       
CONECT   19   18   20   61   62                                       
CONECT   20   19   21                                                 
CONECT   21   20   23   23   24                                       
CONECT   21   22                                                      
CONECT   22   21   63                                                 
CONECT   23   21   21                                                 
CONECT   24   21   25                                                 
CONECT   25   24   28   27   27                                       
CONECT   25   26                                                      
CONECT   26   25   64                                                 
CONECT   27   25   25                                                 
CONECT   28   25   29                                                 
CONECT   29   28   30   30   32                                       
CONECT   29   31                                                      
CONECT   30   29   29                                                 
CONECT   31   29   65                                                 
CONECT   32   29   33                                                 
CONECT   33   32   34   66   67                                       
CONECT   34   33   39   35   68                                       
CONECT   35   34   37   36   69                                       
CONECT   36   35   70                                                 
CONECT   37   35   40   38   71                                       
CONECT   38   37   72                                                 
CONECT   39   34   40                                                 
CONECT   40   37   39   41   73                                       
CONECT   41   40   42   46                                            
CONECT   42   41   48   48   43                                       
CONECT   43   42   44   44                                            
CONECT   44   43   43   45   74                                       
CONECT   45   44   49   49                                            
CONECT   46   41   47   47   75                                       
CONECT   47   46   46   48                                            
CONECT   48   42   42   47   49                                       
CONECT   49   45   45   48   50                                       
CONECT   50   49   76   77                                            
CONECT   51    3                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54   10                                                      
CONECT   55   12                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   22                                                      
CONECT   64   26                                                      
CONECT   65   31                                                      
CONECT   66   33                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
CONECT   72   38                                                      
CONECT   73   40                                                      
CONECT   74   44                                                      
CONECT   75   46                                                      
CONECT   76   50                                                      
CONECT   77   50                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
