COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.678   0.579   1.321  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.817  -1.363  -0.392  1.00  0.00           C  
HETATM    3  C   UNL     1       5.939   1.734   1.059  1.00  0.00           C  
HETATM    4  C   UNL     1       4.462   3.007  -0.485  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.989   1.902  -0.069  1.00  0.00           C  
HETATM    6  C   UNL     1       3.070   2.413  -0.257  1.00  0.00           C  
HETATM    7  C   UNL     1       2.018   3.517  -0.382  1.00  0.00           C  
HETATM    8  C   UNL     1       0.627   2.924  -0.154  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.425   4.028  -0.280  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.323   0.433   0.196  1.00  0.00           C  
HETATM   11  C   UNL     1      -9.821   0.154  -0.086  1.00  0.00           C  
HETATM   12  N   UNL     1       5.477   1.978  -0.244  1.00  0.00           N  
HETATM   13  N   UNL     1      -7.771  -2.608   0.173  1.00  0.00           N  
HETATM   14  C   UNL     1       7.143   0.329   2.599  1.00  0.00           C  
HETATM   15  N   UNL     1      -6.675  -3.370   1.900  1.00  0.00           N  
HETATM   16  C   UNL     1       7.378   0.960   5.011  1.00  0.00           C  
HETATM   17  C   UNL     1       6.873   1.229   3.618  1.00  0.00           C  
HETATM   18  O   UNL     1       2.818   1.401  -1.233  1.00  0.00           O  
HETATM   19  O   UNL     1       2.271   4.529   0.595  1.00  0.00           O  
HETATM   20  O   UNL     1       0.374   1.912  -1.131  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.712   3.499   0.047  1.00  0.00           O  
HETATM   22  P   UNL     1      -3.056   4.384   0.021  1.00  0.00           P  
HETATM   23  O   UNL     1      -3.206   5.014  -1.310  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.327   3.440   0.314  1.00  0.00           O  
HETATM   25  P   UNL     1      -5.908   3.575   0.040  1.00  0.00           P  
HETATM   26  O   UNL     1      -6.130   4.072  -1.336  1.00  0.00           O  
HETATM   27  O   UNL     1      -6.607   2.134   0.210  1.00  0.00           O  
HETATM   28  O   UNL     1     -10.275   0.901  -1.217  1.00  0.00           O  
HETATM   29  O   UNL     1     -10.697  -1.656  -1.480  1.00  0.00           O  
HETATM   30  C   UNL     1      -8.357  -1.666  -0.783  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.032  -2.287   1.273  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.157  -4.452   1.242  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.093  -5.841   1.444  1.00  0.00           C  
HETATM   34  N   UNL     1      -6.412  -6.368   2.528  1.00  0.00           N  
HETATM   35  N   UNL     1      -7.701  -6.637   0.571  1.00  0.00           N  
HETATM   36  C   UNL     1      -8.352  -6.143  -0.466  1.00  0.00           C  
HETATM   37  N   UNL     1      -8.456  -4.849  -0.684  1.00  0.00           N  
HETATM   38  C   UNL     1      -7.871  -3.976   0.130  1.00  0.00           C  
HETATM   39  O   UNL     1      -7.639  -0.421  -0.746  1.00  0.00           O  
HETATM   40  O   UNL     1      -6.548   4.610   1.094  1.00  0.00           O  
HETATM   41  O   UNL     1      -2.967   5.529   1.149  1.00  0.00           O  
HETATM   42  C   UNL     1       5.983   1.246  -1.296  1.00  0.00           C  
HETATM   43  N   UNL     1       5.765   1.648  -2.592  1.00  0.00           N  
HETATM   44  C   UNL     1       6.261   0.928  -3.617  1.00  0.00           C  
HETATM   45  N   UNL     1       6.975  -0.191  -3.400  1.00  0.00           N  
HETATM   46  O   UNL     1       6.060   1.297  -4.758  1.00  0.00           O  
HETATM   47  C   UNL     1       6.708   0.111  -1.059  1.00  0.00           C  
HETATM   48  N   UNL     1       6.944  -0.315   0.272  1.00  0.00           N  
HETATM   49  C   UNL     1       7.456  -1.660   0.547  1.00  0.00           C  
HETATM   50  C   UNL     1       8.767  -1.872  -0.213  1.00  0.00           C  
HETATM   51  C   UNL     1       9.933  -1.887   0.778  1.00  0.00           C  
HETATM   52  C   UNL     1       6.444  -2.683   0.099  1.00  0.00           C  
HETATM   53  C   UNL     1       5.239  -2.272  -0.440  1.00  0.00           C  
HETATM   54  C   UNL     1       4.308  -3.207  -0.853  1.00  0.00           C  
HETATM   55  C   UNL     1       4.582  -4.559  -0.727  1.00  0.00           C  
HETATM   56  O   UNL     1       3.667  -5.480  -1.133  1.00  0.00           O  
HETATM   57  C   UNL     1       5.795  -4.973  -0.185  1.00  0.00           C  
HETATM   58  O   UNL     1       6.068  -6.299  -0.060  1.00  0.00           O  
HETATM   59  C   UNL     1       7.333  -6.650   0.504  1.00  0.00           C  
HETATM   60  C   UNL     1       6.726  -4.031   0.222  1.00  0.00           C  
HETATM   61  C   UNL     1       7.212  -0.622  -2.145  1.00  0.00           C  
HETATM   62  O   UNL     1       7.860  -1.638  -1.954  1.00  0.00           O  
HETATM   63  C   UNL     1       5.670   2.625   2.082  1.00  0.00           C  
HETATM   64  C   UNL     1       6.142   2.372   3.359  1.00  0.00           C  
HETATM   65  C   UNL     1       5.854   3.346   4.472  1.00  0.00           C  
HETATM   66  H   UNL     1     -10.102  -1.934   0.492  1.00  0.00           H  
HETATM   67  H   UNL     1       4.541   3.363  -1.512  1.00  0.00           H  
HETATM   68  H   UNL     1       4.619   3.839   0.201  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.194   2.139  -1.113  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.601   2.535   0.574  1.00  0.00           H  
HETATM   71  H   UNL     1       3.021   1.976   0.741  1.00  0.00           H  
HETATM   72  H   UNL     1       2.068   3.954  -1.380  1.00  0.00           H  
HETATM   73  H   UNL     1       0.577   2.487   0.843  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.182   4.841   0.404  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.437   4.404  -1.303  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.065   0.160   1.219  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.429   0.373   0.792  1.00  0.00           H  
HETATM   78  H   UNL     1       7.714  -0.564   2.803  1.00  0.00           H  
HETATM   79  H   UNL     1       6.632   0.389   5.565  1.00  0.00           H  
HETATM   80  H   UNL     1       8.306   0.389   4.958  1.00  0.00           H  
HETATM   81  H   UNL     1       7.563   1.906   5.520  1.00  0.00           H  
HETATM   82  H   UNL     1       2.921   1.702  -2.147  1.00  0.00           H  
HETATM   83  H   UNL     1       2.242   4.211   1.507  1.00  0.00           H  
HETATM   84  H   UNL     1       0.403   2.230  -2.044  1.00  0.00           H  
HETATM   85  H   UNL     1     -11.207   0.761  -1.433  1.00  0.00           H  
HETATM   86  H   UNL     1     -11.629  -1.484  -1.289  1.00  0.00           H  
HETATM   87  H   UNL     1      -8.322  -2.087  -1.788  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.779  -1.283   1.577  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.973  -5.777   3.159  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.375  -7.329   2.657  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.832  -6.826  -1.152  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.440   4.347   2.019  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.868   5.188   2.049  1.00  0.00           H  
HETATM   94  H   UNL     1       5.253   2.452  -2.770  1.00  0.00           H  
HETATM   95  H   UNL     1       7.321  -0.694  -4.154  1.00  0.00           H  
HETATM   96  H   UNL     1       7.633  -1.769   1.617  1.00  0.00           H  
HETATM   97  H   UNL     1       8.729  -2.823  -0.744  1.00  0.00           H  
HETATM   98  H   UNL     1       8.908  -1.061  -0.928  1.00  0.00           H  
HETATM   99  H   UNL     1      10.867  -2.038   0.237  1.00  0.00           H  
HETATM  100  H   UNL     1       9.971  -0.936   1.309  1.00  0.00           H  
HETATM  101  H   UNL     1       9.792  -2.698   1.493  1.00  0.00           H  
HETATM  102  H   UNL     1       5.025  -1.218  -0.538  1.00  0.00           H  
HETATM  103  H   UNL     1       3.367  -2.883  -1.273  1.00  0.00           H  
HETATM  104  H   UNL     1       3.763  -5.748  -2.057  1.00  0.00           H  
HETATM  105  H   UNL     1       8.133  -6.244  -0.115  1.00  0.00           H  
HETATM  106  H   UNL     1       7.408  -6.240   1.511  1.00  0.00           H  
HETATM  107  H   UNL     1       7.423  -7.736   0.547  1.00  0.00           H  
HETATM  108  H   UNL     1       7.669  -4.349   0.639  1.00  0.00           H  
HETATM  109  H   UNL     1       5.098   3.520   1.883  1.00  0.00           H  
HETATM  110  H   UNL     1       6.652   4.086   4.524  1.00  0.00           H  
HETATM  111  H   UNL     1       4.905   3.847   4.280  1.00  0.00           H  
HETATM  112  H   UNL     1       5.795   2.809   5.419  1.00  0.00           H  
CONECT    1   14   14    3   48                                       
CONECT    2   11   29   30   66                                       
CONECT    3   63   63    1   12                                       
CONECT    4   12    6   67   68                                       
CONECT    5   27   10   69   70                                       
CONECT    6   18    4    7   71                                       
CONECT    7    6    8   19   72                                       
CONECT    8    7   20    9   73                                       
CONECT    9    8   21   74   75                                       
CONECT   10    5   11   39   76                                       
CONECT   11   28   10    2   77                                       
CONECT   12    3    4   42                                            
CONECT   13   30   31   38                                            
CONECT   14   17    1    1   78                                       
CONECT   15   31   31   32                                            
CONECT   16   17   79   80   81                                       
CONECT   17   16   64   64   14                                       
CONECT   18    6   82                                                 
CONECT   19    7   83                                                 
CONECT   20    8   84                                                 
CONECT   21    9   22                                                 
CONECT   22   21   23   23   41                                       
CONECT   22   24                                                      
CONECT   23   22   22                                                 
CONECT   24   22   25                                                 
CONECT   25   26   26   24   27                                       
CONECT   25   40                                                      
CONECT   26   25   25                                                 
CONECT   27   25    5                                                 
CONECT   28   11   85                                                 
CONECT   29    2   86                                                 
CONECT   30   39    2   13   87                                       
CONECT   31   13   15   15   88                                       
CONECT   32   15   38   38   33                                       
CONECT   33   32   34   35   35                                       
CONECT   34   33   89   90                                            
CONECT   35   33   33   36                                            
CONECT   36   37   37   35   91                                       
CONECT   37   38   36   36                                            
CONECT   38   13   32   32   37                                       
CONECT   39   10   30                                                 
CONECT   40   25   92                                                 
CONECT   41   22   93                                                 
CONECT   42   12   47   47   43                                       
CONECT   43   42   44   94                                            
CONECT   44   43   45   46   46                                       
CONECT   45   61   44   95                                            
CONECT   46   44   44                                                 
CONECT   47   48   42   42   61                                       
CONECT   48    1   49   47                                            
CONECT   49   50   48   52   96                                       
CONECT   50   51   49   97   98                                       
CONECT   51   50   99  100  101                                       
CONECT   52   49   60   60   53                                       
CONECT   53   52   54   54  102                                       
CONECT   54   53   53   55  103                                       
CONECT   55   57   57   54   56                                       
CONECT   56   55  104                                                 
CONECT   57   60   58   55   55                                       
CONECT   58   59   57                                                 
CONECT   59   58  105  106  107                                       
CONECT   60   52   52   57  108                                       
CONECT   61   47   62   62   45                                       
CONECT   62   61   61                                                 
CONECT   63   64    3    3  109                                       
CONECT   64   65   17   17   63                                       
CONECT   65   64  110  111  112                                       
CONECT   66    2                                                      
CONECT   67    4                                                      
CONECT   68    4                                                      
CONECT   69    5                                                      
CONECT   70    5                                                      
CONECT   71    6                                                      
CONECT   72    7                                                      
CONECT   73    8                                                      
CONECT   74    9                                                      
CONECT   75    9                                                      
CONECT   76   10                                                      
CONECT   77   11                                                      
CONECT   78   14                                                      
CONECT   79   16                                                      
CONECT   80   16                                                      
CONECT   81   16                                                      
CONECT   82   18                                                      
CONECT   83   19                                                      
CONECT   84   20                                                      
CONECT   85   28                                                      
CONECT   86   29                                                      
CONECT   87   30                                                      
CONECT   88   31                                                      
CONECT   89   34                                                      
CONECT   90   34                                                      
CONECT   91   36                                                      
CONECT   92   40                                                      
CONECT   93   41                                                      
CONECT   94   43                                                      
CONECT   95   45                                                      
CONECT   96   49                                                      
CONECT   97   50                                                      
CONECT   98   50                                                      
CONECT   99   51                                                      
CONECT  100   51                                                      
CONECT  101   51                                                      
CONECT  102   53                                                      
CONECT  103   54                                                      
CONECT  104   56                                                      
CONECT  105   59                                                      
CONECT  106   59                                                      
CONECT  107   59                                                      
CONECT  108   60                                                      
CONECT  109   63                                                      
CONECT  110   65                                                      
CONECT  111   65                                                      
CONECT  112   65                                                      
MASTER        0    0    0    0    0    0    0    0  112    0  112    0
END
