COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.211   0.343  -0.344  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.239  -3.600  -1.918  1.00  0.00           C  
HETATM    3  C   UNL     1       1.018  -3.160  -0.095  1.00  0.00           C  
HETATM    4  C   UNL     1       1.719  -4.060  -0.917  1.00  0.00           C  
HETATM    5  C   UNL     1       1.585  -2.725   1.105  1.00  0.00           C  
HETATM    6  C   UNL     1       2.821  -3.176   1.474  1.00  0.00           C  
HETATM    7  C   UNL     1       4.983  -0.436   0.015  1.00  0.00           C  
HETATM    8  N   UNL     1       3.798  -0.286  -0.610  1.00  0.00           N  
HETATM    9  C   UNL     1       2.617   0.131   0.149  1.00  0.00           C  
HETATM   10  C   UNL     1       1.373  -0.347  -0.554  1.00  0.00           C  
HETATM   11  O   UNL     1       1.464  -0.975  -1.588  1.00  0.00           O  
HETATM   12  C   UNL     1       2.590   1.657   0.253  1.00  0.00           C  
HETATM   13  C   UNL     1       3.771   2.127   1.062  1.00  0.00           C  
HETATM   14  C   UNL     1       3.783   2.388   2.379  1.00  0.00           C  
HETATM   15  C   UNL     1       5.125   2.379   0.563  1.00  0.00           C  
HETATM   16  N   UNL     1       5.032   2.793   2.763  1.00  0.00           N  
HETATM   17  C   UNL     1       5.877   2.798   1.675  1.00  0.00           C  
HETATM   18  C   UNL     1       5.729   2.285  -0.692  1.00  0.00           C  
HETATM   19  C   UNL     1       7.221   3.115   1.508  1.00  0.00           C  
HETATM   20  C   UNL     1       7.051   2.602  -0.833  1.00  0.00           C  
HETATM   21  C   UNL     1       7.798   3.014   0.261  1.00  0.00           C  
HETATM   22  N   UNL     1       0.159  -0.078  -0.034  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.050  -0.543  -0.718  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.044   1.271   0.418  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.352  -1.983  -0.298  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.249  -2.889  -0.780  1.00  0.00           C  
HETATM   27  N   UNL     1       0.927  -4.309  -2.016  1.00  0.00           N  
HETATM   28  C   UNL     1       2.976  -4.508  -0.521  1.00  0.00           C  
HETATM   29  C   UNL     1       3.517  -4.065   0.665  1.00  0.00           C  
HETATM   30  C   UNL     1       6.198  -0.865  -0.767  1.00  0.00           C  
HETATM   31  O   UNL     1       5.071  -0.226   1.206  1.00  0.00           O  
HETATM   32  C   UNL     1       7.402  -0.959   0.173  1.00  0.00           C  
HETATM   33  C   UNL     1       8.635  -1.395  -0.620  1.00  0.00           C  
HETATM   34  C   UNL     1       9.839  -1.488   0.320  1.00  0.00           C  
HETATM   35  C   UNL     1      11.073  -1.924  -0.474  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.559   0.972  -0.503  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.695   2.089  -1.540  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.485   2.985  -1.474  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.378   2.710  -2.255  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.268   3.532  -2.194  1.00  0.00           C  
HETATM   41  C   UNL     1      -1.265   4.629  -1.353  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.372   4.904  -0.572  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.484   4.085  -0.637  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.847   0.146  -0.472  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.042  -0.546  -1.823  1.00  0.00           C  
HETATM   46  C   UNL     1      -8.211   0.319  -0.130  1.00  0.00           C  
HETATM   47  C   UNL     1      -9.324   1.320   0.187  1.00  0.00           C  
HETATM   48  CA  UNL     1      -8.140  -0.734   0.979  1.00  0.00           C  
HETATM   49  C   UNL     1      -9.428  -1.515   1.016  1.00  0.00           C  
HETATM   50  C   UNL     1      -5.751  -0.908   0.633  1.00  0.00           C  
HETATM   51  C   UNL     1      -4.612  -1.879   0.316  1.00  0.00           C  
HETATM   52  C   UNL     1      -5.478  -0.221   1.973  1.00  0.00           C  
HETATM   53  N   UNL     1      -3.432   0.107  -0.862  1.00  0.00           N  
HETATM   54  N   UNL     1      -7.020  -1.648   0.709  1.00  0.00           N  
HETATM   55  O   UNL     1      -6.959   1.006  -0.210  1.00  0.00           O  
HETATM   56  O   UNL     1     -10.149  -1.445   1.982  1.00  0.00           O  
HETATM   57  O   UNL     1      -5.446  -1.200   3.013  1.00  0.00           O  
HETATM   58  H   UNL     1      -1.036  -3.613  -2.647  1.00  0.00           H  
HETATM   59  H   UNL     1       1.049  -2.033   1.738  1.00  0.00           H  
HETATM   60  H   UNL     1       3.259  -2.839   2.401  1.00  0.00           H  
HETATM   61  H   UNL     1       3.728  -0.454  -1.563  1.00  0.00           H  
HETATM   62  H   UNL     1       2.657  -0.301   1.150  1.00  0.00           H  
HETATM   63  H   UNL     1       2.639   2.090  -0.747  1.00  0.00           H  
HETATM   64  H   UNL     1       1.667   1.972   0.740  1.00  0.00           H  
HETATM   65  H   UNL     1       2.932   2.293   3.038  1.00  0.00           H  
HETATM   66  H   UNL     1       5.286   3.037   3.667  1.00  0.00           H  
HETATM   67  H   UNL     1       5.154   1.964  -1.548  1.00  0.00           H  
HETATM   68  H   UNL     1       7.811   3.438   2.354  1.00  0.00           H  
HETATM   69  H   UNL     1       7.518   2.529  -1.804  1.00  0.00           H  
HETATM   70  H   UNL     1       8.842   3.261   0.133  1.00  0.00           H  
HETATM   71  H   UNL     1       0.086   0.424   0.793  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.896  -0.504  -1.796  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.419  -2.038   0.789  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.299  -2.298  -0.736  1.00  0.00           H  
HETATM   75  H   UNL     1       1.162  -4.897  -2.750  1.00  0.00           H  
HETATM   76  H   UNL     1       3.525  -5.199  -1.143  1.00  0.00           H  
HETATM   77  H   UNL     1       4.493  -4.412   0.970  1.00  0.00           H  
HETATM   78  H   UNL     1       6.014  -1.840  -1.219  1.00  0.00           H  
HETATM   79  H   UNL     1       6.404  -0.135  -1.549  1.00  0.00           H  
HETATM   80  H   UNL     1       7.586   0.015   0.626  1.00  0.00           H  
HETATM   81  H   UNL     1       7.196  -1.690   0.955  1.00  0.00           H  
HETATM   82  H   UNL     1       8.451  -2.369  -1.073  1.00  0.00           H  
HETATM   83  H   UNL     1       8.841  -0.664  -1.402  1.00  0.00           H  
HETATM   84  H   UNL     1      10.024  -0.514   0.772  1.00  0.00           H  
HETATM   85  H   UNL     1       9.634  -2.219   1.102  1.00  0.00           H  
HETATM   86  H   UNL     1      11.930  -1.990   0.196  1.00  0.00           H  
HETATM   87  H   UNL     1      10.889  -2.898  -0.926  1.00  0.00           H  
HETATM   88  H   UNL     1      11.278  -1.193  -1.256  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.384   1.408   0.480  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.770   1.653  -2.536  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.591   2.673  -1.330  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.380   1.853  -2.912  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.403   3.317  -2.804  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.397   5.271  -1.305  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.369   5.760   0.086  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.350   4.302  -0.030  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.960  -1.133  -1.801  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.110   0.206  -2.610  1.00  0.00           H  
HETATM   99  H   UNL     1      -5.195  -1.203  -2.020  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.420  -0.169  -1.082  1.00  0.00           H  
HETATM  101  H   UNL     1      -9.113   1.808   1.138  1.00  0.00           H  
HETATM  102  H   UNL     1      -9.374   2.069  -0.603  1.00  0.00           H  
HETATM  103  H   UNL     1     -10.277   0.795   0.252  1.00  0.00           H  
HETATM  104  HA  UNL     1      -7.984  -0.242   1.939  1.00  0.00           H  
HETATM  105  H   UNL     1      -9.707  -2.137   0.178  1.00  0.00           H  
HETATM  106  H   UNL     1      -3.658  -1.360   0.400  1.00  0.00           H  
HETATM  107  H   UNL     1      -4.636  -2.711   1.021  1.00  0.00           H  
HETATM  108  H   UNL     1      -4.731  -2.260  -0.698  1.00  0.00           H  
HETATM  109  H   UNL     1      -4.519   0.293   1.928  1.00  0.00           H  
HETATM  110  H   UNL     1      -6.269   0.501   2.178  1.00  0.00           H  
HETATM  111  H   UNL     1      -3.566  -0.635  -1.471  1.00  0.00           H  
HETATM  112  H   UNL     1      -6.972  -2.377   1.405  1.00  0.00           H  
HETATM  113  H   UNL     1      -5.278  -0.835   3.892  1.00  0.00           H  
CONECT    1   53   24   24   23                                       
CONECT    2   26   26   27   58                                       
CONECT    3    5    4    4   26                                       
CONECT    4    3    3   28   27                                       
CONECT    5    6    6    3   59                                       
CONECT    6    5    5   29   60                                       
CONECT    7    8   31   31   30                                       
CONECT    8    9    7   61                                            
CONECT    9   10   12    8   62                                       
CONECT   10   22   11   11    9                                       
CONECT   11   10   10                                                 
CONECT   12    9   13   63   64                                       
CONECT   13   12   15   14   14                                       
CONECT   14   13   13   16   65                                       
CONECT   15   13   18   18   17                                       
CONECT   16   14   17   66                                            
CONECT   17   15   16   19   19                                       
CONECT   18   15   15   20   67                                       
CONECT   19   17   17   21   68                                       
CONECT   20   18   21   21   69                                       
CONECT   21   20   20   19   70                                       
CONECT   22   23   10   71                                            
CONECT   23    1   25   22   72                                       
CONECT   24    1    1                                                 
CONECT   25   23   26   73   74                                       
CONECT   26    3   25    2    2                                       
CONECT   27    4    2   75                                            
CONECT   28   29   29    4   76                                       
CONECT   29    6   28   28   77                                       
CONECT   30   32    7   78   79                                       
CONECT   31    7    7                                                 
CONECT   32   33   30   80   81                                       
CONECT   33   32   34   82   83                                       
CONECT   34   33   35   84   85                                       
CONECT   35   34   86   87   88                                       
CONECT   36   44   37   53   89                                       
CONECT   37   36   38   90   91                                       
CONECT   38   37   43   43   39                                       
CONECT   39   38   40   40   92                                       
CONECT   40   39   39   41   93                                       
CONECT   41   42   42   40   94                                       
CONECT   42   43   41   41   95                                       
CONECT   43   38   38   42   96                                       
CONECT   44   55   45   50   36                                       
CONECT   45   44   97   98   99                                       
CONECT   46   47   48   55  100                                       
CONECT   47   46  101  102  103                                       
CONECT   48   49   46   54  104                                       
CONECT   49   56   56   48  105                                       
CONECT   50   54   44   51   52                                       
CONECT   51   50  106  107  108                                       
CONECT   52   50   57  109  110                                       
CONECT   53   36    1  111                                            
CONECT   54   48   50  112                                            
CONECT   55   46   44                                                 
CONECT   56   49   49                                                 
CONECT   57   52  113                                                 
CONECT   58    2                                                      
CONECT   59    5                                                      
CONECT   60    6                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63   12                                                      
CONECT   64   12                                                      
CONECT   65   14                                                      
CONECT   66   16                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   23                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   30                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   34                                                      
CONECT   86   35                                                      
CONECT   87   35                                                      
CONECT   88   35                                                      
CONECT   89   36                                                      
CONECT   90   37                                                      
CONECT   91   37                                                      
CONECT   92   39                                                      
CONECT   93   40                                                      
CONECT   94   41                                                      
CONECT   95   42                                                      
CONECT   96   43                                                      
CONECT   97   45                                                      
CONECT   98   45                                                      
CONECT   99   45                                                      
CONECT  100   46                                                      
CONECT  101   47                                                      
CONECT  102   47                                                      
CONECT  103   47                                                      
CONECT  104   48                                                      
CONECT  105   49                                                      
CONECT  106   51                                                      
CONECT  107   51                                                      
CONECT  108   51                                                      
CONECT  109   52                                                      
CONECT  110   52                                                      
CONECT  111   53                                                      
CONECT  112   54                                                      
CONECT  113   57                                                      
MASTER        0    0    0    0    0    0    0    0  113    0  113    0
END
