COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      11.607   0.303  -0.690  1.00  0.00           C  
HETATM    2  C   UNL     1      10.839  -0.632  -0.027  1.00  0.00           C  
HETATM    3  C   UNL     1       9.474  -0.725  -0.294  1.00  0.00           C  
HETATM    4  C   UNL     1       9.203  -2.544   1.307  1.00  0.00           C  
HETATM    5  C   UNL     1      11.024   1.149  -1.617  1.00  0.00           C  
HETATM    6  C   UNL     1       9.671   1.059  -1.889  1.00  0.00           C  
HETATM    7  C   UNL     1       8.892   0.130  -1.229  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.038   1.893   0.478  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.287   3.255   0.352  1.00  0.00           C  
HETATM   10  C   UNL     1       6.475  -0.756   0.361  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.058   0.221   0.047  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.394   1.492   0.719  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.811  -0.022   0.626  1.00  0.00           C  
HETATM   14  N   UNL     1       3.028  -1.731  -0.305  1.00  0.00           N  
HETATM   15  N   UNL     1       1.904  -2.498  -0.647  1.00  0.00           N  
HETATM   16  C   UNL     1       0.715  -1.964  -0.618  1.00  0.00           C  
HETATM   17  N   UNL     1       0.511  -0.694  -0.271  1.00  0.00           N  
HETATM   18  C   UNL     1       1.512   0.101   0.065  1.00  0.00           C  
HETATM   19  C   UNL     1       2.834  -0.412   0.063  1.00  0.00           C  
HETATM   20  C   UNL     1       4.061   0.139   0.354  1.00  0.00           C  
HETATM   21  C   UNL     1       5.019  -0.879   0.167  1.00  0.00           C  
HETATM   22  C   UNL     1       4.338  -2.012  -0.248  1.00  0.00           C  
HETATM   23  C   UNL     1       4.330   1.557   0.787  1.00  0.00           C  
HETATM   24  O   UNL     1       6.954   0.305   0.716  1.00  0.00           O  
HETATM   25  N   UNL     1       7.276  -1.818   0.145  1.00  0.00           N  
HETATM   26  C   UNL     1       8.644  -1.728   0.414  1.00  0.00           C  
HETATM   27  N   UNL     1       1.273   1.413   0.419  1.00  0.00           N  
HETATM   28  C   UNL     1      -1.583   3.730   0.410  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.636   2.854   0.593  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.093   1.012   0.668  1.00  0.00           C  
HETATM   31  C   UNL     1       0.858   4.214   0.152  1.00  0.00           C  
HETATM   32  N   UNL     1      -3.460   0.607   0.910  1.00  0.00           N  
HETATM   33  C   UNL     1      -4.655   0.859   0.342  1.00  0.00           C  
HETATM   34  O   UNL     1      -4.785   1.809  -0.405  1.00  0.00           O  
HETATM   35  C   UNL     1      -8.117  -0.628   0.348  1.00  0.00           C  
HETATM   36  N   UNL     1      -7.950  -1.652   1.169  1.00  0.00           N  
HETATM   37  C   UNL     1      -6.786  -1.912   1.733  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.683  -1.122   1.484  1.00  0.00           C  
HETATM   39  N   UNL     1      -9.365  -0.399  -0.221  1.00  0.00           N  
HETATM   40  C   UNL     1     -10.339  -1.406   0.224  1.00  0.00           C  
HETATM   41  C   UNL     1     -11.710  -1.082  -0.376  1.00  0.00           C  
HETATM   42  O   UNL     1     -11.599  -1.028  -1.801  1.00  0.00           O  
HETATM   43  C   UNL     1     -10.659  -0.058  -2.269  1.00  0.00           C  
HETATM   44  C   UNL     1      -9.278  -0.371  -1.688  1.00  0.00           C  
HETATM   45  H   UNL     1      12.664   0.379  -0.481  1.00  0.00           H  
HETATM   46  H   UNL     1      11.295  -1.292   0.696  1.00  0.00           H  
HETATM   47  H   UNL     1      10.273  -2.534   1.453  1.00  0.00           H  
HETATM   48  H   UNL     1       8.586  -3.216   1.885  1.00  0.00           H  
HETATM   49  H   UNL     1      11.628   1.883  -2.129  1.00  0.00           H  
HETATM   50  H   UNL     1       9.222   1.722  -2.613  1.00  0.00           H  
HETATM   51  H   UNL     1       7.835   0.063  -1.440  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.198   1.059  -0.620  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.136  -2.574  -0.884  1.00  0.00           H  
HETATM   54  H   UNL     1       4.786  -2.967  -0.477  1.00  0.00           H  
HETATM   55  H   UNL     1       4.228   1.632   1.870  1.00  0.00           H  
HETATM   56  H   UNL     1       5.341   1.841   0.497  1.00  0.00           H  
HETATM   57  H   UNL     1       3.614   2.225   0.309  1.00  0.00           H  
HETATM   58  H   UNL     1       6.903  -2.645  -0.198  1.00  0.00           H  
HETATM   59  H   UNL     1       2.015   2.003   0.627  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.773   4.789   0.312  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.648   3.228   0.633  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.902  -0.047   0.765  1.00  0.00           H  
HETATM   63  H   UNL     1       1.048   4.335  -0.915  1.00  0.00           H  
HETATM   64  H   UNL     1       0.603   5.180   0.587  1.00  0.00           H  
HETATM   65  H   UNL     1       1.751   3.820   0.638  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.338  -0.188   1.452  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.694  -2.759   2.398  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.735  -1.343   1.951  1.00  0.00           H  
HETATM   69  H   UNL     1     -10.020  -2.393  -0.108  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.405  -1.392   1.312  1.00  0.00           H  
HETATM   71  H   UNL     1     -12.422  -1.857  -0.095  1.00  0.00           H  
HETATM   72  H   UNL     1     -12.053  -0.118   0.000  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.612  -0.092  -3.358  1.00  0.00           H  
HETATM   74  H   UNL     1     -10.972   0.936  -1.949  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.570   0.399  -1.996  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.942  -1.342  -2.052  1.00  0.00           H  
CONECT    1    2    2    5   45                                       
CONECT    2    1    1    3   46                                       
CONECT    3    2   26    7    7                                       
CONECT    4   26   26   47   48                                       
CONECT    5    1    6    6   49                                       
CONECT    6    5    5    7   50                                       
CONECT    7    3    3    6   51                                       
CONECT    8   30   30    9   27                                       
CONECT    9    8   28   28   31                                       
CONECT   10   21   24   24   25                                       
CONECT   11   35   35   13   52                                       
CONECT   12   32   29   29   30                                       
CONECT   13   11   38   38   33                                       
CONECT   14   19   15   22                                            
CONECT   15   14   16   16                                            
CONECT   16   15   15   17   53                                       
CONECT   17   16   18   18                                            
CONECT   18   17   17   27   19                                       
CONECT   19   14   18   20   20                                       
CONECT   20   19   19   23   21                                       
CONECT   21   10   20   22   22                                       
CONECT   22   14   21   21   54                                       
CONECT   23   20   55   56   57                                       
CONECT   24   10   10                                                 
CONECT   25   10   26   58                                            
CONECT   26    3    4    4   25                                       
CONECT   27    8   18   59                                            
CONECT   28    9    9   29   60                                       
CONECT   29   12   12   28   61                                       
CONECT   30    8    8   12   62                                       
CONECT   31    9   63   64   65                                       
CONECT   32   12   33   66                                            
CONECT   33   13   32   34   34                                       
CONECT   34   33   33                                                 
CONECT   35   11   11   36   39                                       
CONECT   36   35   37   37                                            
CONECT   37   36   36   38   67                                       
CONECT   38   13   13   37   68                                       
CONECT   39   35   44   40                                            
CONECT   40   39   41   69   70                                       
CONECT   41   40   42   71   72                                       
CONECT   42   41   43                                                 
CONECT   43   42   44   73   74                                       
CONECT   44   39   43   75   76                                       
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52   11                                                      
CONECT   53   16                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   25                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   37                                                      
CONECT   68   38                                                      
CONECT   69   40                                                      
CONECT   70   40                                                      
CONECT   71   41                                                      
CONECT   72   41                                                      
CONECT   73   43                                                      
CONECT   74   43                                                      
CONECT   75   44                                                      
CONECT   76   44                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
