COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1     -10.363  -1.277   0.976  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.071  -0.460   1.071  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.864   0.303  -0.240  1.00  0.00           C  
HETATM    4  C   UNL     1     -10.088   1.183  -0.509  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.915   1.903  -1.847  1.00  0.00           C  
HETATM    6  C   UNL     1     -11.530  -0.336   0.660  1.00  0.00           C  
HETATM    7  O   UNL     1     -12.730  -1.097   0.514  1.00  0.00           O  
HETATM    8  O   UNL     1     -10.605  -1.936   2.220  1.00  0.00           O  
HETATM    9  O   UNL     1      -7.966  -1.339   1.293  1.00  0.00           O  
HETATM   10  O   UNL     1      -7.699   1.124  -0.136  1.00  0.00           O  
HETATM   11  O   UNL     1     -11.259   0.365  -0.555  1.00  0.00           O  
HETATM   12  O   UNL     1     -11.000   2.811  -2.043  1.00  0.00           O  
HETATM   13  C   UNL     1      -5.338   1.482  -0.512  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.039   0.767  -0.897  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.815  -0.411   0.056  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.029  -1.341  -0.002  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.840  -2.489   0.991  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.493   0.478  -0.548  1.00  0.00           C  
HETATM   19  O   UNL     1      -5.594   2.539  -1.439  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.943   1.679  -0.795  1.00  0.00           O  
HETATM   21  O   UNL     1      -2.644  -1.128  -0.339  1.00  0.00           O  
HETATM   22  O   UNL     1      -6.207  -0.607   0.336  1.00  0.00           O  
HETATM   23  O   UNL     1      -5.916  -3.420   0.855  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.277  -1.571  -0.123  1.00  0.00           C  
HETATM   25  C   UNL     1       1.019  -1.026   0.486  1.00  0.00           C  
HETATM   26  C   UNL     1       1.225   0.417   0.015  1.00  0.00           C  
HETATM   27  C   UNL     1       0.003   1.252   0.405  1.00  0.00           C  
HETATM   28  C   UNL     1       0.174   2.681  -0.115  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.441  -0.658   0.273  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.517  -2.891   0.367  1.00  0.00           O  
HETATM   31  O   UNL     1       2.121  -1.830   0.062  1.00  0.00           O  
HETATM   32  O   UNL     1       2.392   0.959   0.635  1.00  0.00           O  
HETATM   33  O   UNL     1      -1.171   0.674  -0.169  1.00  0.00           O  
HETATM   34  O   UNL     1      -0.909   3.490   0.348  1.00  0.00           O  
HETATM   35  C   UNL     1       4.753   1.477   0.581  1.00  0.00           C  
HETATM   36  C   UNL     1       6.049   1.199  -0.187  1.00  0.00           C  
HETATM   37  C   UNL     1       6.272  -0.315  -0.260  1.00  0.00           C  
HETATM   38  C   UNL     1       5.055  -0.971  -0.917  1.00  0.00           C  
HETATM   39  C   UNL     1       5.244  -2.489  -0.939  1.00  0.00           C  
HETATM   40  C   UNL     1       3.595   0.751  -0.108  1.00  0.00           C  
HETATM   41  O   UNL     1       4.497   2.882   0.593  1.00  0.00           O  
HETATM   42  O   UNL     1       7.148   1.812   0.491  1.00  0.00           O  
HETATM   43  O   UNL     1       7.440  -0.588  -1.036  1.00  0.00           O  
HETATM   44  O   UNL     1       3.880  -0.648  -0.170  1.00  0.00           O  
HETATM   45  O   UNL     1       4.165  -3.093  -1.655  1.00  0.00           O  
HETATM   46  C   UNL     1       9.805  -1.070  -1.179  1.00  0.00           C  
HETATM   47  C   UNL     1      11.103  -1.076  -0.366  1.00  0.00           C  
HETATM   48  C   UNL     1      11.316   0.312   0.246  1.00  0.00           C  
HETATM   49  C   UNL     1      10.098   0.677   1.098  1.00  0.00           C  
HETATM   50  C   UNL     1      10.277   2.087   1.665  1.00  0.00           C  
HETATM   51  C   UNL     1       8.646  -0.651  -0.271  1.00  0.00           C  
HETATM   52  O   UNL     1       9.558  -2.380  -1.695  1.00  0.00           O  
HETATM   53  O   UNL     1      12.202  -1.397  -1.222  1.00  0.00           O  
HETATM   54  O   UNL     1      12.486   0.298   1.066  1.00  0.00           O  
HETATM   55  O   UNL     1       8.922   0.634   0.289  1.00  0.00           O  
HETATM   56  O   UNL     1       9.198   2.384   2.553  1.00  0.00           O  
HETATM   57  H   UNL     1     -10.268  -2.018   0.182  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.147   0.247   1.897  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.737  -0.406  -1.058  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.189   1.918   0.289  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.975   2.455  -1.844  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.903   1.171  -2.655  1.00  0.00           H  
HETATM   63  H   UNL     1     -11.650   0.379   1.474  1.00  0.00           H  
HETATM   64  H   UNL     1     -13.511  -0.565   0.313  1.00  0.00           H  
HETATM   65  H   UNL     1     -11.410  -2.473   2.231  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.031  -1.855   2.108  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.956   3.303  -2.875  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.243   1.894   0.493  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.114   0.400  -1.921  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.689  -0.038   1.072  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.130  -1.745  -1.010  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.896  -2.994   0.788  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.829  -2.093   2.007  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.613   0.098  -1.563  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.404   3.035  -1.256  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.019   2.451  -1.373  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.861  -4.175   1.456  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.186  -1.595  -1.209  1.00  0.00           H  
HETATM   79  H   UNL     1       0.947  -1.048   1.574  1.00  0.00           H  
HETATM   80  H   UNL     1       1.347   0.432  -1.068  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.094   1.270   1.491  1.00  0.00           H  
HETATM   82  H   UNL     1       0.182   2.672  -1.205  1.00  0.00           H  
HETATM   83  H   UNL     1       1.116   3.090   0.251  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.556  -0.666   1.356  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.323  -3.298   0.022  1.00  0.00           H  
HETATM   86  H   UNL     1       2.057  -2.758   0.327  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.865   4.410   0.055  1.00  0.00           H  
HETATM   88  H   UNL     1       4.852   1.115   1.605  1.00  0.00           H  
HETATM   89  H   UNL     1       5.969   1.605  -1.195  1.00  0.00           H  
HETATM   90  H   UNL     1       6.402  -0.714   0.746  1.00  0.00           H  
HETATM   91  H   UNL     1       4.951  -0.603  -1.937  1.00  0.00           H  
HETATM   92  H   UNL     1       6.187  -2.731  -1.431  1.00  0.00           H  
HETATM   93  H   UNL     1       5.260  -2.868   0.083  1.00  0.00           H  
HETATM   94  H   UNL     1       3.471   1.142  -1.118  1.00  0.00           H  
HETATM   95  H   UNL     1       3.690   3.131   1.064  1.00  0.00           H  
HETATM   96  H   UNL     1       7.072   2.773   0.574  1.00  0.00           H  
HETATM   97  H   UNL     1       4.219  -4.057  -1.709  1.00  0.00           H  
HETATM   98  H   UNL     1       9.895  -0.364  -2.005  1.00  0.00           H  
HETATM   99  H   UNL     1      11.031  -1.818   0.429  1.00  0.00           H  
HETATM  100  H   UNL     1      11.437   1.046  -0.550  1.00  0.00           H  
HETATM  101  H   UNL     1      10.002  -0.034   1.918  1.00  0.00           H  
HETATM  102  H   UNL     1      10.284   2.809   0.848  1.00  0.00           H  
HETATM  103  H   UNL     1      11.220   2.144   2.208  1.00  0.00           H  
HETATM  104  H   UNL     1       8.530  -1.380   0.530  1.00  0.00           H  
HETATM  105  H   UNL     1       8.748  -2.450  -2.217  1.00  0.00           H  
HETATM  106  H   UNL     1      12.128  -2.262  -1.648  1.00  0.00           H  
HETATM  107  H   UNL     1      13.297   0.068   0.591  1.00  0.00           H  
HETATM  108  H   UNL     1       9.246   3.265   2.950  1.00  0.00           H  
CONECT    1    2    8    6   57                                       
CONECT    2    9    3    1   58                                       
CONECT    3   10    2    4   59                                       
CONECT    4    3    5   11   60                                       
CONECT    5    4   12   61   62                                       
CONECT    6    1   11    7   63                                       
CONECT    7    6   64                                                 
CONECT    8    1   65                                                 
CONECT    9    2   66                                                 
CONECT   10   18    3                                                 
CONECT   11    4    6                                                 
CONECT   12    5   67                                                 
CONECT   13   14   19   18   68                                       
CONECT   14   20   15   13   69                                       
CONECT   15   21   14   16   70                                       
CONECT   16   15   17   22   71                                       
CONECT   17   16   23   72   73                                       
CONECT   18   13   22   10   74                                       
CONECT   19   13   75                                                 
CONECT   20   14   76                                                 
CONECT   21   29   15                                                 
CONECT   22   16   18                                                 
CONECT   23   17   77                                                 
CONECT   24   25   29   30   78                                       
CONECT   25   26   31   24   79                                       
CONECT   26   32   25   27   80                                       
CONECT   27   26   28   33   81                                       
CONECT   28   34   27   83   82                                       
CONECT   29   33   24   21   84                                       
CONECT   30   24   85                                                 
CONECT   31   25   86                                                 
CONECT   32   40   26                                                 
CONECT   33   27   29                                                 
CONECT   34   28   87                                                 
CONECT   35   36   41   40   88                                       
CONECT   36   42   37   35   89                                       
CONECT   37   43   36   38   90                                       
CONECT   38   37   39   44   91                                       
CONECT   39   38   45   92   93                                       
CONECT   40   35   44   32   94                                       
CONECT   41   35   95                                                 
CONECT   42   36   96                                                 
CONECT   43   51   37                                                 
CONECT   44   38   40                                                 
CONECT   45   39   97                                                 
CONECT   46   47   52   51   98                                       
CONECT   47   53   48   46   99                                       
CONECT   48   54   47   49  100                                       
CONECT   49   48   50   55  101                                       
CONECT   50   56   49  103  102                                       
CONECT   51   46   55   43  104                                       
CONECT   52   46  105                                                 
CONECT   53   47  106                                                 
CONECT   54   48  107                                                 
CONECT   55   49   51                                                 
CONECT   56   50  108                                                 
CONECT   57    1                                                      
CONECT   58    2                                                      
CONECT   59    3                                                      
CONECT   60    4                                                      
CONECT   61    5                                                      
CONECT   62    5                                                      
CONECT   63    6                                                      
CONECT   64    7                                                      
CONECT   65    8                                                      
CONECT   66    9                                                      
CONECT   67   12                                                      
CONECT   68   13                                                      
CONECT   69   14                                                      
CONECT   70   15                                                      
CONECT   71   16                                                      
CONECT   72   17                                                      
CONECT   73   17                                                      
CONECT   74   18                                                      
CONECT   75   19                                                      
CONECT   76   20                                                      
CONECT   77   23                                                      
CONECT   78   24                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   28                                                      
CONECT   83   28                                                      
CONECT   84   29                                                      
CONECT   85   30                                                      
CONECT   86   31                                                      
CONECT   87   34                                                      
CONECT   88   35                                                      
CONECT   89   36                                                      
CONECT   90   37                                                      
CONECT   91   38                                                      
CONECT   92   39                                                      
CONECT   93   39                                                      
CONECT   94   40                                                      
CONECT   95   41                                                      
CONECT   96   42                                                      
CONECT   97   45                                                      
CONECT   98   46                                                      
CONECT   99   47                                                      
CONECT  100   48                                                      
CONECT  101   49                                                      
CONECT  102   50                                                      
CONECT  103   50                                                      
CONECT  104   51                                                      
CONECT  105   52                                                      
CONECT  106   53                                                      
CONECT  107   54                                                      
CONECT  108   56                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
