COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       7.505   1.905  -0.924  1.00  0.00           O  
HETATM    2  C   UNL     1       7.331   3.099  -0.884  1.00  0.00           C  
HETATM    3  C   UNL     1       8.514   4.033  -0.875  1.00  0.00           C  
HETATM    4  C   UNL     1       5.931   3.655  -0.849  1.00  0.00           C  
HETATM    5  O   UNL     1       5.905   4.924  -1.507  1.00  0.00           O  
HETATM    6  C   UNL     1       5.483   3.824   0.606  1.00  0.00           C  
HETATM    7  O   UNL     1       6.408   4.666   1.296  1.00  0.00           O  
HETATM    8  C   UNL     1       5.442   2.448   1.279  1.00  0.00           C  
HETATM    9  C   UNL     1       4.979   2.690  -1.561  1.00  0.00           C  
HETATM   10  C   UNL     1       3.569   3.283  -1.575  1.00  0.00           C  
HETATM   11  O   UNL     1       4.964   1.441  -0.868  1.00  0.00           O  
HETATM   12  C   UNL     1       4.509   1.529   0.486  1.00  0.00           C  
HETATM   13  O   UNL     1       4.509   0.228   1.076  1.00  0.00           O  
HETATM   14  C   UNL     1       3.581  -0.681   0.479  1.00  0.00           C  
HETATM   15  C   UNL     1       3.567  -2.003   1.256  1.00  0.00           C  
HETATM   16  C   UNL     1       2.441  -2.396   2.192  1.00  0.00           C  
HETATM   17  O   UNL     1       3.762  -2.087   2.652  1.00  0.00           O  
HETATM   18  C   UNL     1       4.201  -3.012   0.268  1.00  0.00           C  
HETATM   19  O   UNL     1       5.105  -2.138  -0.494  1.00  0.00           O  
HETATM   20  C   UNL     1       4.103  -1.136  -0.913  1.00  0.00           C  
HETATM   21  C   UNL     1       4.858  -4.233   0.915  1.00  0.00           C  
HETATM   22  O   UNL     1       5.399  -5.078  -0.102  1.00  0.00           O  
HETATM   23  C   UNL     1       5.684  -6.408   0.338  1.00  0.00           C  
HETATM   24  O   UNL     1       5.906  -3.804   1.786  1.00  0.00           O  
HETATM   25  C   UNL     1       6.313  -4.791   2.736  1.00  0.00           C  
HETATM   26  O   UNL     1       3.166  -3.300  -0.712  1.00  0.00           O  
HETATM   27  C   UNL     1       3.050  -2.102  -1.509  1.00  0.00           C  
HETATM   28  C   UNL     1       1.662  -1.545  -1.380  1.00  0.00           C  
HETATM   29  C   UNL     1       0.668  -2.018  -2.239  1.00  0.00           C  
HETATM   30  C   UNL     1       1.021  -3.061  -3.269  1.00  0.00           C  
HETATM   31  O   UNL     1       2.308  -0.089   0.407  1.00  0.00           O  
HETATM   32  C   UNL     1       1.362  -0.587  -0.440  1.00  0.00           C  
HETATM   33  C   UNL     1       0.039  -0.105  -0.336  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.958  -0.596  -1.212  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.612  -1.561  -2.168  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.282  -0.115  -1.111  1.00  0.00           C  
HETATM   37  O   UNL     1      -3.237  -0.584  -1.957  1.00  0.00           O  
HETATM   38  C   UNL     1      -3.340   0.049  -3.234  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.609   0.818  -0.171  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.625   1.308   0.712  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.305   0.857   0.632  1.00  0.00           C  
HETATM   42  O   UNL     1       0.635   1.342   1.478  1.00  0.00           O  
HETATM   43  C   UNL     1      -4.032   1.305  -0.105  1.00  0.00           C  
HETATM   44  C   UNL     1      -4.359   1.866   1.276  1.00  0.00           C  
HETATM   45  C   UNL     1      -3.343   2.957   1.636  1.00  0.00           C  
HETATM   46  O   UNL     1      -3.322   3.957   0.615  1.00  0.00           O  
HETATM   47  C   UNL     1      -1.984   2.297   1.737  1.00  0.00           C  
HETATM   48  O   UNL     1      -1.217   2.575   2.636  1.00  0.00           O  
HETATM   49  O   UNL     1      -4.914   0.218  -0.389  1.00  0.00           O  
HETATM   50  C   UNL     1      -6.100   0.599  -1.089  1.00  0.00           C  
HETATM   51  O   UNL     1      -6.975   1.296  -0.201  1.00  0.00           O  
HETATM   52  C   UNL     1      -7.366   0.539   0.947  1.00  0.00           C  
HETATM   53  C   UNL     1      -8.276   1.390   1.834  1.00  0.00           C  
HETATM   54  C   UNL     1      -8.119  -0.715   0.495  1.00  0.00           C  
HETATM   55  C   UNL     1      -7.214  -1.531  -0.433  1.00  0.00           C  
HETATM   56  O   UNL     1      -6.048  -1.948   0.280  1.00  0.00           O  
HETATM   57  C   UNL     1      -7.973  -2.760  -0.939  1.00  0.00           C  
HETATM   58  C   UNL     1      -6.806  -0.653  -1.618  1.00  0.00           C  
HETATM   59  O   UNL     1      -9.324  -0.328  -0.217  1.00  0.00           O  
HETATM   60  C   UNL     1     -10.439  -0.170   0.513  1.00  0.00           C  
HETATM   61  O   UNL     1     -10.410  -0.349   1.707  1.00  0.00           O  
HETATM   62  C   UNL     1     -11.728   0.230  -0.157  1.00  0.00           C  
HETATM   63  H   UNL     1       8.781   4.290  -1.899  1.00  0.00           H  
HETATM   64  H   UNL     1       8.256   4.940  -0.328  1.00  0.00           H  
HETATM   65  H   UNL     1       9.359   3.545  -0.390  1.00  0.00           H  
HETATM   66  H   UNL     1       6.176   4.891  -2.434  1.00  0.00           H  
HETATM   67  H   UNL     1       4.491   4.274   0.632  1.00  0.00           H  
HETATM   68  H   UNL     1       6.186   4.817   2.226  1.00  0.00           H  
HETATM   69  H   UNL     1       6.445   2.022   1.297  1.00  0.00           H  
HETATM   70  H   UNL     1       5.071   2.553   2.298  1.00  0.00           H  
HETATM   71  H   UNL     1       5.318   2.534  -2.585  1.00  0.00           H  
HETATM   72  H   UNL     1       3.580   4.236  -2.102  1.00  0.00           H  
HETATM   73  H   UNL     1       2.891   2.595  -2.082  1.00  0.00           H  
HETATM   74  H   UNL     1       3.230   3.438  -0.551  1.00  0.00           H  
HETATM   75  H   UNL     1       3.498   1.936   0.503  1.00  0.00           H  
HETATM   76  H   UNL     1       1.654  -1.665   2.376  1.00  0.00           H  
HETATM   77  H   UNL     1       2.129  -3.441   2.202  1.00  0.00           H  
HETATM   78  H   UNL     1       4.458  -0.340  -1.569  1.00  0.00           H  
HETATM   79  H   UNL     1       4.113  -4.786   1.488  1.00  0.00           H  
HETATM   80  H   UNL     1       5.797  -7.060  -0.528  1.00  0.00           H  
HETATM   81  H   UNL     1       6.607  -6.409   0.917  1.00  0.00           H  
HETATM   82  H   UNL     1       4.864  -6.768   0.960  1.00  0.00           H  
HETATM   83  H   UNL     1       5.434  -5.212   3.222  1.00  0.00           H  
HETATM   84  H   UNL     1       6.860  -5.583   2.225  1.00  0.00           H  
HETATM   85  H   UNL     1       6.957  -4.330   3.486  1.00  0.00           H  
HETATM   86  H   UNL     1       3.283  -2.317  -2.552  1.00  0.00           H  
HETATM   87  H   UNL     1       0.878  -4.054  -2.844  1.00  0.00           H  
HETATM   88  H   UNL     1       0.378  -2.942  -4.141  1.00  0.00           H  
HETATM   89  H   UNL     1       2.063  -2.940  -3.566  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.360  -1.941  -2.848  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.476   1.122  -3.098  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.429  -0.133  -3.804  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.194  -0.360  -3.774  1.00  0.00           H  
HETATM   94  H   UNL     1       1.094   2.127   1.148  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.178   2.086  -0.851  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.362   2.292   1.268  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.310   1.066   2.015  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.608   3.410   2.592  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.698   4.677   0.782  1.00  0.00           H  
HETATM  100  H   UNL     1      -5.837   1.248  -1.924  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.478   0.247   1.509  1.00  0.00           H  
HETATM  102  H   UNL     1      -9.163   1.680   1.272  1.00  0.00           H  
HETATM  103  H   UNL     1      -8.574   0.812   2.709  1.00  0.00           H  
HETATM  104  H   UNL     1      -7.740   2.283   2.154  1.00  0.00           H  
HETATM  105  H   UNL     1      -8.385  -1.314   1.366  1.00  0.00           H  
HETATM  106  H   UNL     1      -5.398  -2.411  -0.266  1.00  0.00           H  
HETATM  107  H   UNL     1      -8.859  -2.439  -1.487  1.00  0.00           H  
HETATM  108  H   UNL     1      -7.327  -3.339  -1.599  1.00  0.00           H  
HETATM  109  H   UNL     1      -8.274  -3.376  -0.092  1.00  0.00           H  
HETATM  110  H   UNL     1      -7.693  -0.362  -2.180  1.00  0.00           H  
HETATM  111  H   UNL     1      -6.128  -1.207  -2.267  1.00  0.00           H  
HETATM  112  H   UNL     1     -12.272  -0.664  -0.462  1.00  0.00           H  
HETATM  113  H   UNL     1     -12.336   0.807   0.540  1.00  0.00           H  
HETATM  114  H   UNL     1     -11.507   0.838  -1.035  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   63   64   65                                       
CONECT    4    2    5    6    9                                       
CONECT    5    4   66                                                 
CONECT    6    4    7    8   67                                       
CONECT    7    6   68                                                 
CONECT    8    6   12   69   70                                       
CONECT    9    4   10   11   71                                       
CONECT   10    9   72   73   74                                       
CONECT   11    9   12                                                 
CONECT   12    8   11   13   75                                       
CONECT   13   12   14                                                 
CONECT   14   13   15   20   31                                       
CONECT   15   14   16   17   18                                       
CONECT   16   15   17   76   77                                       
CONECT   17   15   16                                                 
CONECT   18   15   19   21   26                                       
CONECT   19   18   20                                                 
CONECT   20   14   19   27   78                                       
CONECT   21   18   22   24   79                                       
CONECT   22   21   23                                                 
CONECT   23   22   80   81   82                                       
CONECT   24   21   25                                                 
CONECT   25   24   83   84   85                                       
CONECT   26   18   27                                                 
CONECT   27   20   26   28   86                                       
CONECT   28   27   29   29   32                                       
CONECT   29   28   28   30   35                                       
CONECT   30   29   87   88   89                                       
CONECT   31   14   32                                                 
CONECT   32   28   31   33   33                                       
CONECT   33   32   32   34   41                                       
CONECT   34   33   35   35   36                                       
CONECT   35   29   34   34   90                                       
CONECT   36   34   37   39   39                                       
CONECT   37   36   38                                                 
CONECT   38   37   91   92   93                                       
CONECT   39   36   36   40   43                                       
CONECT   40   39   41   41   47                                       
CONECT   41   33   40   40   42                                       
CONECT   42   41   94                                                 
CONECT   43   39   44   49   95                                       
CONECT   44   43   45   96   97                                       
CONECT   45   44   46   47   98                                       
CONECT   46   45   99                                                 
CONECT   47   40   45   48   48                                       
CONECT   48   47   47                                                 
CONECT   49   43   50                                                 
CONECT   50   49   51   58  100                                       
CONECT   51   50   52                                                 
CONECT   52   51   53   54  101                                       
CONECT   53   52  102  103  104                                       
CONECT   54   52   55   59  105                                       
CONECT   55   54   56   57   58                                       
CONECT   56   55  106                                                 
CONECT   57   55  107  108  109                                       
CONECT   58   50   55  110  111                                       
CONECT   59   54   60                                                 
CONECT   60   59   61   61   62                                       
CONECT   61   60   60                                                 
CONECT   62   60  112  113  114                                       
CONECT   63    3                                                      
CONECT   64    3                                                      
CONECT   65    3                                                      
CONECT   66    5                                                      
CONECT   67    6                                                      
CONECT   68    7                                                      
CONECT   69    8                                                      
CONECT   70    8                                                      
CONECT   71    9                                                      
CONECT   72   10                                                      
CONECT   73   10                                                      
CONECT   74   10                                                      
CONECT   75   12                                                      
CONECT   76   16                                                      
CONECT   77   16                                                      
CONECT   78   20                                                      
CONECT   79   21                                                      
CONECT   80   23                                                      
CONECT   81   23                                                      
CONECT   82   23                                                      
CONECT   83   25                                                      
CONECT   84   25                                                      
CONECT   85   25                                                      
CONECT   86   27                                                      
CONECT   87   30                                                      
CONECT   88   30                                                      
CONECT   89   30                                                      
CONECT   90   35                                                      
CONECT   91   38                                                      
CONECT   92   38                                                      
CONECT   93   38                                                      
CONECT   94   42                                                      
CONECT   95   43                                                      
CONECT   96   44                                                      
CONECT   97   44                                                      
CONECT   98   45                                                      
CONECT   99   46                                                      
CONECT  100   50                                                      
CONECT  101   52                                                      
CONECT  102   53                                                      
CONECT  103   53                                                      
CONECT  104   53                                                      
CONECT  105   54                                                      
CONECT  106   56                                                      
CONECT  107   57                                                      
CONECT  108   57                                                      
CONECT  109   57                                                      
CONECT  110   58                                                      
CONECT  111   58                                                      
CONECT  112   62                                                      
CONECT  113   62                                                      
CONECT  114   62                                                      
MASTER        0    0    0    0    0    0    0    0  114    0  114    0
END
