COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.206   0.347  -7.667  1.00  0.00           C  
HETATM    2  C   UNL     1       2.422  -0.106  -8.154  1.00  0.00           C  
HETATM    3  C   UNL     1       3.410  -0.530  -7.290  1.00  0.00           C  
HETATM    4  C   UNL     1       3.199  -0.508  -5.913  1.00  0.00           C  
HETATM    5  O   UNL     1       4.173  -0.925  -5.068  1.00  0.00           O  
HETATM    6  C   UNL     1       1.977  -0.058  -5.409  1.00  0.00           C  
HETATM    7  C   UNL     1       1.732  -0.020  -3.955  1.00  0.00           C  
HETATM    8  O   UNL     1       2.653  -0.146  -3.171  1.00  0.00           O  
HETATM    9  C   UNL     1       0.354   0.166  -3.463  1.00  0.00           C  
HETATM   10  C   UNL     1       0.032  -0.080  -2.131  1.00  0.00           C  
HETATM   11  O   UNL     1       0.994  -0.496  -1.271  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.280   0.096  -1.673  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.552  -0.198  -0.221  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.487   0.326   0.572  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.869   0.435   0.220  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.960   0.029  -0.777  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.240   0.420  -0.277  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.929  -1.462  -0.985  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.307  -1.931  -1.908  1.00  0.00           O  
HETATM   20  C   UNL     1      -4.675  -2.370  -0.041  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.686   0.739  -2.101  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.259   0.520  -2.536  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.951   0.773  -3.880  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.924   1.191  -4.727  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.652   0.598  -4.351  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.317   0.858  -5.763  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.094   1.461  -6.479  1.00  0.00           O  
HETATM   28  C   UNL     1       0.974   0.377  -6.298  1.00  0.00           C  
HETATM   29  C   UNL     1       5.281  -1.323  -5.878  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.091  -0.711   1.471  1.00  0.00           C  
HETATM   31  C   UNL     1       1.245  -0.342   2.118  1.00  0.00           C  
HETATM   32  C   UNL     1       1.089   0.988   2.863  1.00  0.00           C  
HETATM   33  N   UNL     1       2.318   1.279   3.613  1.00  0.00           N  
HETATM   34  C   UNL     1      -0.093   0.873   3.830  1.00  0.00           C  
HETATM   35  O   UNL     1       0.214  -0.078   4.851  1.00  0.00           O  
HETATM   36  C   UNL     1      -1.329   0.412   3.054  1.00  0.00           C  
HETATM   37  O   UNL     1      -1.087  -0.869   2.480  1.00  0.00           O  
HETATM   38  C   UNL     1      -2.524   0.325   4.006  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.312   0.442   6.073  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.355  -0.669   7.124  1.00  0.00           C  
HETATM   41  C   UNL     1       1.062  -1.213   7.334  1.00  0.00           C  
HETATM   42  O   UNL     1       1.061  -2.148   8.415  1.00  0.00           O  
HETATM   43  C   UNL     1       1.993  -0.041   7.662  1.00  0.00           C  
HETATM   44  O   UNL     1       3.344  -0.504   7.717  1.00  0.00           O  
HETATM   45  C   UNL     1       1.859   1.023   6.571  1.00  0.00           C  
HETATM   46  O   UNL     1       0.519   1.506   6.533  1.00  0.00           O  
HETATM   47  C   UNL     1       2.809   2.183   6.874  1.00  0.00           C  
HETATM   48  H   UNL     1       0.439   0.677  -8.352  1.00  0.00           H  
HETATM   49  H   UNL     1       2.597  -0.129  -9.219  1.00  0.00           H  
HETATM   50  H   UNL     1       4.353  -0.881  -7.683  1.00  0.00           H  
HETATM   51  H   UNL     1       1.056  -1.456  -1.363  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.609  -1.278  -0.078  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.768   1.521   0.232  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.132   0.080   1.216  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.891   0.162  -0.944  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.537  -3.406  -0.349  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.290  -2.237   0.969  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.736  -2.123  -0.062  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.864   1.807  -1.980  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.358   0.348  -2.865  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.319   0.397  -5.112  1.00  0.00           H  
HETATM   62  H   UNL     1       6.093  -1.668  -5.239  1.00  0.00           H  
HETATM   63  H   UNL     1       4.974  -2.130  -6.543  1.00  0.00           H  
HETATM   64  H   UNL     1       5.621  -0.474  -6.471  1.00  0.00           H  
HETATM   65  H   UNL     1       0.017  -1.646   0.921  1.00  0.00           H  
HETATM   66  H   UNL     1       1.537  -1.122   2.822  1.00  0.00           H  
HETATM   67  H   UNL     1       2.008  -0.241   1.346  1.00  0.00           H  
HETATM   68  H   UNL     1       0.900   1.787   2.147  1.00  0.00           H  
HETATM   69  H   UNL     1       3.065   1.332   2.937  1.00  0.00           H  
HETATM   70  H   UNL     1       2.209   2.205   3.999  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.289   1.844   4.284  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.548   1.128   2.262  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.422   0.078   3.440  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.340  -0.448   4.751  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.661   1.284   4.505  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.320   0.818   5.902  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.735  -0.269   8.063  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.006  -1.472   6.778  1.00  0.00           H  
HETATM   79  H   UNL     1       1.402  -1.707   6.424  1.00  0.00           H  
HETATM   80  H   UNL     1       0.455  -2.859   8.169  1.00  0.00           H  
HETATM   81  H   UNL     1       1.715   0.386   8.626  1.00  0.00           H  
HETATM   82  H   UNL     1       3.894   0.262   7.926  1.00  0.00           H  
HETATM   83  H   UNL     1       2.115   0.587   5.606  1.00  0.00           H  
HETATM   84  H   UNL     1       2.714   2.942   6.097  1.00  0.00           H  
HETATM   85  H   UNL     1       2.555   2.619   7.840  1.00  0.00           H  
HETATM   86  H   UNL     1       3.835   1.816   6.899  1.00  0.00           H  
CONECT    1    2    2   28   48                                       
CONECT    2    1    1    3   49                                       
CONECT    3    2    4    4   50                                       
CONECT    4    3    3    5    6                                       
CONECT    5    4   29                                                 
CONECT    6    4    7   28   28                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   10   25                                       
CONECT   10    9    9   11   12                                       
CONECT   11   10   51                                                 
CONECT   12   10   13   22   22                                       
CONECT   13   12   14   15   52                                       
CONECT   14   13   30                                                 
CONECT   15   13   16   53   54                                       
CONECT   16   15   17   18   21                                       
CONECT   17   16   55                                                 
CONECT   18   16   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   56   57   58                                       
CONECT   21   16   22   59   60                                       
CONECT   22   12   12   21   23                                       
CONECT   23   22   24   25   25                                       
CONECT   24   23   61                                                 
CONECT   25    9   23   23   26                                       
CONECT   26   25   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28    1    6    6   26                                       
CONECT   29    5   62   63   64                                       
CONECT   30   14   31   37   65                                       
CONECT   31   30   32   66   67                                       
CONECT   32   31   33   34   68                                       
CONECT   33   32   69   70                                            
CONECT   34   32   35   36   71                                       
CONECT   35   34   39                                                 
CONECT   36   34   37   38   72                                       
CONECT   37   30   36                                                 
CONECT   38   36   73   74   75                                       
CONECT   39   35   40   46   76                                       
CONECT   40   39   41   77   78                                       
CONECT   41   40   42   43   79                                       
CONECT   42   41   80                                                 
CONECT   43   41   44   45   81                                       
CONECT   44   43   82                                                 
CONECT   45   43   46   47   83                                       
CONECT   46   39   45                                                 
CONECT   47   45   84   85   86                                       
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51   11                                                      
CONECT   52   13                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   17                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   24                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   36                                                      
CONECT   73   38                                                      
CONECT   74   38                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   40                                                      
CONECT   78   40                                                      
CONECT   79   41                                                      
CONECT   80   42                                                      
CONECT   81   43                                                      
CONECT   82   44                                                      
CONECT   83   45                                                      
CONECT   84   47                                                      
CONECT   85   47                                                      
CONECT   86   47                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
