COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.286  -0.034  -5.850  1.00  0.00           N  
HETATM    2  C   UNL     1       0.177   0.452  -7.152  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.237  -0.527  -8.269  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.375  -1.854  -7.756  1.00  0.00           O  
HETATM    5  C   UNL     1       0.952  -0.435  -9.248  1.00  0.00           C  
HETATM    6  C   UNL     1       1.689   0.486  -7.191  1.00  0.00           C  
HETATM    7  C   UNL     1       2.135  -0.026  -8.397  1.00  0.00           C  
HETATM    8  C   UNL     1       2.604   0.924  -6.250  1.00  0.00           C  
HETATM    9  C   UNL     1       3.494  -0.094  -8.656  1.00  0.00           C  
HETATM   10  C   UNL     1       3.958   0.855  -6.510  1.00  0.00           C  
HETATM   11  C   UNL     1       4.404   0.344  -7.715  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.914   0.332  -3.486  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.433   0.394  -3.316  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.089  -0.517  -4.320  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.226  -1.865  -4.044  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.559  -0.005  -5.515  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.827  -2.701  -4.965  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.157  -0.843  -6.438  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.293  -2.191  -6.163  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.540   0.838  -4.855  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.468   2.031  -5.062  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.245   1.202  -2.420  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.837   0.599  -0.705  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.449   0.569  -1.043  1.00  0.00           C  
HETATM   25  C   UNL     1       0.347   1.353   0.001  1.00  0.00           C  
HETATM   26  N   UNL     1       0.152   0.745   1.324  1.00  0.00           N  
HETATM   27  C   UNL     1       1.011   1.483   2.259  1.00  0.00           C  
HETATM   28  C   UNL     1       0.286   2.731   2.755  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.635   2.394   3.896  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.759   1.617   3.687  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.593   1.305   4.743  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.358   2.878   5.164  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.192   2.572   6.221  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.310   1.777   6.015  1.00  0.00           C  
HETATM   35  O   UNL     1      -3.125   1.461   7.055  1.00  0.00           O  
HETATM   36  C   UNL     1       1.401   0.597   3.416  1.00  0.00           C  
HETATM   37  O   UNL     1       1.514   1.076   4.524  1.00  0.00           O  
HETATM   38  N   UNL     1       1.642  -0.720   3.180  1.00  0.00           N  
HETATM   39  C   UNL     1       2.279  -1.536   4.224  1.00  0.00           C  
HETATM   40  C   UNL     1       3.617  -0.932   4.647  1.00  0.00           C  
HETATM   41  C   UNL     1       4.292  -1.851   5.668  1.00  0.00           C  
HETATM   42  C   UNL     1       4.519  -0.782   3.421  1.00  0.00           C  
HETATM   43  C   UNL     1       5.859  -0.177   3.844  1.00  0.00           C  
HETATM   44  C   UNL     1       1.373  -1.677   5.417  1.00  0.00           C  
HETATM   45  O   UNL     1       1.130  -0.736   6.140  1.00  0.00           O  
HETATM   46  N   UNL     1       0.829  -2.903   5.676  1.00  0.00           N  
HETATM   47  C   UNL     1       0.035  -3.032   6.914  1.00  0.00           C  
HETATM   48  C   UNL     1      -1.362  -2.458   6.683  1.00  0.00           C  
HETATM   49  C   UNL     1      -1.902  -1.899   8.002  1.00  0.00           C  
HETATM   50  C   UNL     1      -2.988  -0.860   7.714  1.00  0.00           C  
HETATM   51  C   UNL     1      -2.403   0.543   7.880  1.00  0.00           C  
HETATM   52  H   UNL     1      -0.410  -0.985  -5.705  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.228   1.445  -7.350  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.159  -0.201  -8.749  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.715  -2.399  -8.479  1.00  0.00           H  
HETATM   56  H   UNL     1       1.137  -1.404  -9.712  1.00  0.00           H  
HETATM   57  H   UNL     1       0.757   0.318 -10.011  1.00  0.00           H  
HETATM   58  H   UNL     1       2.256   1.323  -5.308  1.00  0.00           H  
HETATM   59  H   UNL     1       3.843  -0.493  -9.597  1.00  0.00           H  
HETATM   60  H   UNL     1       4.668   1.199  -5.773  1.00  0.00           H  
HETATM   61  H   UNL     1       5.463   0.289  -7.920  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.578  -0.699  -3.376  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.699   0.076  -2.308  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.775   1.417  -3.476  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.862  -2.264  -3.109  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.453   1.047  -5.731  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.934  -3.754  -4.750  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.520  -0.444  -7.374  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.762  -2.844  -6.883  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.690   2.197  -2.432  1.00  0.00           H  
HETATM   71  H   UNL     1       0.821   1.279  -2.631  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.102   1.529  -0.698  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.102  -0.464  -1.063  1.00  0.00           H  
HETATM   74  H   UNL     1       0.001   2.386   0.022  1.00  0.00           H  
HETATM   75  H   UNL     1       1.406   1.330  -0.256  1.00  0.00           H  
HETATM   76  H   UNL     1       0.520  -0.192   1.269  1.00  0.00           H  
HETATM   77  H   UNL     1       1.922   1.789   1.732  1.00  0.00           H  
HETATM   78  H   UNL     1       1.021   3.467   3.090  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.295   3.163   1.938  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.993   1.258   2.696  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.467   0.692   4.575  1.00  0.00           H  
HETATM   82  H   UNL     1       0.512   3.496   5.324  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.975   2.952   7.208  1.00  0.00           H  
HETATM   84  H   UNL     1       1.398  -1.128   2.324  1.00  0.00           H  
HETATM   85  H   UNL     1       2.467  -2.540   3.815  1.00  0.00           H  
HETATM   86  H   UNL     1       3.448   0.046   5.096  1.00  0.00           H  
HETATM   87  H   UNL     1       4.428  -2.840   5.231  1.00  0.00           H  
HETATM   88  H   UNL     1       5.262  -1.438   5.943  1.00  0.00           H  
HETATM   89  H   UNL     1       3.665  -1.929   6.556  1.00  0.00           H  
HETATM   90  H   UNL     1       4.038  -0.127   2.694  1.00  0.00           H  
HETATM   91  H   UNL     1       4.688  -1.761   2.972  1.00  0.00           H  
HETATM   92  H   UNL     1       6.502  -0.070   2.971  1.00  0.00           H  
HETATM   93  H   UNL     1       5.690   0.801   4.293  1.00  0.00           H  
HETATM   94  H   UNL     1       6.340  -0.831   4.571  1.00  0.00           H  
HETATM   95  H   UNL     1       0.964  -3.653   5.075  1.00  0.00           H  
HETATM   96  H   UNL     1       0.526  -2.493   7.723  1.00  0.00           H  
HETATM   97  H   UNL     1      -0.047  -4.086   7.184  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.024  -3.247   6.325  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.312  -1.661   5.943  1.00  0.00           H  
HETATM  100  H   UNL     1      -1.090  -1.430   8.558  1.00  0.00           H  
HETATM  101  H   UNL     1      -2.324  -2.712   8.594  1.00  0.00           H  
HETATM  102  H   UNL     1      -3.812  -0.994   8.414  1.00  0.00           H  
HETATM  103  H   UNL     1      -3.352  -0.987   6.695  1.00  0.00           H  
HETATM  104  H   UNL     1      -1.354   0.534   7.584  1.00  0.00           H  
HETATM  105  H   UNL     1      -2.484   0.849   8.922  1.00  0.00           H  
CONECT    1    2   20   52                                            
CONECT    2    1    3    6   53                                       
CONECT    3    2    4    5   54                                       
CONECT    4    3   55                                                 
CONECT    5    3    7   56   57                                       
CONECT    6    2    7    7    8                                       
CONECT    7    5    6    6    9                                       
CONECT    8    6   10   10   58                                       
CONECT    9    7   11   11   59                                       
CONECT   10    8    8   11   60                                       
CONECT   11    9    9   10   61                                       
CONECT   12   13   20   22   62                                       
CONECT   13   12   14   63   64                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14   17   65                                       
CONECT   16   14   18   18   66                                       
CONECT   17   15   19   19   67                                       
CONECT   18   16   16   19   68                                       
CONECT   19   17   17   18   69                                       
CONECT   20    1   12   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   12   24   70   71                                       
CONECT   23   24   72                                                 
CONECT   24   22   23   25   73                                       
CONECT   25   24   26   74   75                                       
CONECT   26   25   27   76                                            
CONECT   27   26   28   36   77                                       
CONECT   28   27   29   78   79                                       
CONECT   29   28   30   30   32                                       
CONECT   30   29   29   31   80                                       
CONECT   31   30   34   34   81                                       
CONECT   32   29   33   33   82                                       
CONECT   33   32   32   34   83                                       
CONECT   34   31   31   33   35                                       
CONECT   35   34   51                                                 
CONECT   36   27   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   39   84                                            
CONECT   39   38   40   44   85                                       
CONECT   40   39   41   42   86                                       
CONECT   41   40   87   88   89                                       
CONECT   42   40   43   90   91                                       
CONECT   43   42   92   93   94                                       
CONECT   44   39   45   45   46                                       
CONECT   45   44   44                                                 
CONECT   46   44   47   95                                            
CONECT   47   46   48   96   97                                       
CONECT   48   47   49   98   99                                       
CONECT   49   48   50  100  101                                       
CONECT   50   49   51  102  103                                       
CONECT   51   35   50  104  105                                       
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   11                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   13                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   22                                                      
CONECT   71   22                                                      
CONECT   72   23                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   28                                                      
CONECT   79   28                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   38                                                      
CONECT   85   39                                                      
CONECT   86   40                                                      
CONECT   87   41                                                      
CONECT   88   41                                                      
CONECT   89   41                                                      
CONECT   90   42                                                      
CONECT   91   42                                                      
CONECT   92   43                                                      
CONECT   93   43                                                      
CONECT   94   43                                                      
CONECT   95   46                                                      
CONECT   96   47                                                      
CONECT   97   47                                                      
CONECT   98   48                                                      
CONECT   99   48                                                      
CONECT  100   49                                                      
CONECT  101   49                                                      
CONECT  102   50                                                      
CONECT  103   50                                                      
CONECT  104   51                                                      
CONECT  105   51                                                      
MASTER        0    0    0    0    0    0    0    0  105    0  105    0
END
