COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.098   2.144   0.602  1.00  0.00           C  
HETATM    2  C   UNL     1       1.230   1.627   0.044  1.00  0.00           C  
HETATM    3  C   UNL     1       1.354   0.129   0.332  1.00  0.00           C  
HETATM    4  C   UNL     1       0.196  -0.616  -0.334  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.131  -0.099   0.224  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.256   1.399  -0.064  1.00  0.00           C  
HETATM    7  O   UNL     1      -6.933  -3.797  -0.768  1.00  0.00           O  
HETATM    8  P   UNL     1      -5.786  -3.268   0.231  1.00  0.00           P  
HETATM    9  O   UNL     1      -6.400  -2.434   1.289  1.00  0.00           O  
HETATM   10  O   UNL     1      -5.040  -4.526   0.904  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.579  -2.273  -0.704  1.00  0.00           C  
HETATM   12  P   UNL     1      -3.280  -1.674   0.427  1.00  0.00           P  
HETATM   13  O   UNL     1      -2.533  -2.931   1.100  1.00  0.00           O  
HETATM   14  O   UNL     1      -3.893  -0.840   1.485  1.00  0.00           O  
HETATM   15  O   UNL     1      -2.213  -0.795  -0.398  1.00  0.00           O  
HETATM   16  O   UNL     1       0.312  -2.015  -0.065  1.00  0.00           O  
HETATM   17  P   UNL     1       0.465  -3.121  -1.224  1.00  0.00           P  
HETATM   18  O   UNL     1      -0.655  -2.988  -2.183  1.00  0.00           O  
HETATM   19  O   UNL     1       1.861  -2.902  -1.995  1.00  0.00           O  
HETATM   20  O   UNL     1       0.438  -4.592  -0.570  1.00  0.00           O  
HETATM   21  O   UNL     1      -2.496   1.882   0.456  1.00  0.00           O  
HETATM   22  P   UNL     1      -3.629   2.560  -0.465  1.00  0.00           P  
HETATM   23  O   UNL     1      -3.987   1.637  -1.565  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.935   2.864   0.427  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.068   3.937  -1.081  1.00  0.00           O  
HETATM   26  O   UNL     1      -0.214   3.543   0.333  1.00  0.00           O  
HETATM   27  P   UNL     1      -0.366   4.649   1.492  1.00  0.00           P  
HETATM   28  O   UNL     1      -1.763   4.430   2.263  1.00  0.00           O  
HETATM   29  O   UNL     1       0.753   4.516   2.451  1.00  0.00           O  
HETATM   30  O   UNL     1      -0.340   6.120   0.838  1.00  0.00           O  
HETATM   31  O   UNL     1       1.271   1.845  -1.367  1.00  0.00           O  
HETATM   32  P   UNL     1       2.395   2.750  -2.082  1.00  0.00           P  
HETATM   33  O   UNL     1       3.837   2.060  -1.898  1.00  0.00           O  
HETATM   34  O   UNL     1       2.059   2.883  -3.651  1.00  0.00           O  
HETATM   35  O   UNL     1       2.410   4.096  -1.465  1.00  0.00           O  
HETATM   36  O   UNL     1       2.594  -0.354  -0.189  1.00  0.00           O  
HETATM   37  P   UNL     1       3.727  -1.032   0.733  1.00  0.00           P  
HETATM   38  O   UNL     1       3.166  -2.409   1.349  1.00  0.00           O  
HETATM   39  O   UNL     1       4.085  -0.109   1.833  1.00  0.00           O  
HETATM   40  C   UNL     1       5.206  -1.376  -0.277  1.00  0.00           C  
HETATM   41  P   UNL     1       6.489  -2.143   0.766  1.00  0.00           P  
HETATM   42  O   UNL     1       5.973  -3.409   1.333  1.00  0.00           O  
HETATM   43  O   UNL     1       7.794  -2.447  -0.125  1.00  0.00           O  
HETATM   44  O   UNL     1       6.878  -1.139   1.963  1.00  0.00           O  
HETATM   45  H   UNL     1      -0.130   1.978   1.678  1.00  0.00           H  
HETATM   46  H   UNL     1       2.055   2.158   0.518  1.00  0.00           H  
HETATM   47  H   UNL     1       1.323  -0.038   1.409  1.00  0.00           H  
HETATM   48  H   UNL     1       0.228  -0.450  -1.410  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.163  -0.266   1.301  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.224   1.566  -1.141  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.612  -4.335  -0.338  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.614  -5.117   0.268  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.127  -2.887  -1.483  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.084  -1.422  -1.159  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.107  -3.523   0.465  1.00  0.00           H  
HETATM   56  H   UNL     1       2.640  -2.976  -1.427  1.00  0.00           H  
HETATM   57  H   UNL     1       0.525  -5.310  -1.212  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.660   3.273  -0.064  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.813   4.591  -0.415  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.541   4.504   1.695  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.427   6.838   1.480  1.00  0.00           H  
HETATM   62  H   UNL     1       3.900   1.173  -2.279  1.00  0.00           H  
HETATM   63  H   UNL     1       2.697   3.416  -4.146  1.00  0.00           H  
HETATM   64  H   UNL     1       2.911  -3.063   0.683  1.00  0.00           H  
HETATM   65  H   UNL     1       4.942  -2.056  -1.087  1.00  0.00           H  
HETATM   66  H   UNL     1       5.586  -0.444  -0.694  1.00  0.00           H  
HETATM   67  H   UNL     1       8.520  -2.857   0.366  1.00  0.00           H  
HETATM   68  H   UNL     1       7.225  -0.287   1.665  1.00  0.00           H  
CONECT    1   26    2    6   45                                       
CONECT    2   31    1    3   46                                       
CONECT    3    2   36    4   47                                       
CONECT    4    3    5   16   48                                       
CONECT    5    6    4   15   49                                       
CONECT    6    1   21    5   50                                       
CONECT    7    8   51                                                 
CONECT    8    9    9   11    7                                       
CONECT    8   10                                                      
CONECT    9    8    8                                                 
CONECT   10    8   52                                                 
CONECT   11   12    8   53   54                                       
CONECT   12   15   14   14   13                                       
CONECT   12   11                                                      
CONECT   13   12   55                                                 
CONECT   14   12   12                                                 
CONECT   15    5   12                                                 
CONECT   16    4   17                                                 
CONECT   17   18   18   16   20                                       
CONECT   17   19                                                      
CONECT   18   17   17                                                 
CONECT   19   17   56                                                 
CONECT   20   17   57                                                 
CONECT   21    6   22                                                 
CONECT   22   23   23   24   21                                       
CONECT   22   25                                                      
CONECT   23   22   22                                                 
CONECT   24   22   58                                                 
CONECT   25   22   59                                                 
CONECT   26   27    1                                                 
CONECT   27   29   29   28   26                                       
CONECT   27   30                                                      
CONECT   28   27   60                                                 
CONECT   29   27   27                                                 
CONECT   30   27   61                                                 
CONECT   31   32    2                                                 
CONECT   32   35   35   34   33                                       
CONECT   32   31                                                      
CONECT   33   32   62                                                 
CONECT   34   32   63                                                 
CONECT   35   32   32                                                 
CONECT   36   37    3                                                 
CONECT   37   39   39   38   36                                       
CONECT   37   40                                                      
CONECT   38   37   64                                                 
CONECT   39   37   37                                                 
CONECT   40   37   41   65   66                                       
CONECT   41   42   42   43   40                                       
CONECT   41   44                                                      
CONECT   42   41   41                                                 
CONECT   43   41   67                                                 
CONECT   44   41   68                                                 
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   13                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   28                                                      
CONECT   61   30                                                      
CONECT   62   33                                                      
CONECT   63   34                                                      
CONECT   64   38                                                      
CONECT   65   40                                                      
CONECT   66   40                                                      
CONECT   67   43                                                      
CONECT   68   44                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
