COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.183  -2.373   9.053  1.00  0.00           C  
HETATM    2  C   UNL     1       2.339  -1.496   8.165  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.921  -0.409   8.694  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.328  -0.668   9.892  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.076  -1.110  10.982  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.420  -1.294  10.881  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.308  -0.583   8.553  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.067  -1.037   9.660  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.954  -0.331   7.331  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.454  -1.216   9.517  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.298  -0.516   7.229  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.046  -0.957   8.320  1.00  0.00           C  
HETATM   13  C   UNL     1       1.443   0.056   3.244  1.00  0.00           C  
HETATM   14  C   UNL     1       0.599   0.933   2.356  1.00  0.00           C  
HETATM   15  C   UNL     1       0.749  -1.865   1.807  1.00  0.00           C  
HETATM   16  N   UNL     1       1.185   1.720   1.432  1.00  0.00           N  
HETATM   17  C   UNL     1       0.379   2.667   0.657  1.00  0.00           C  
HETATM   18  C   UNL     1       0.234   5.452   3.306  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.585   3.911   2.560  1.00  0.00           C  
HETATM   20  C   UNL     1       0.853   2.669  -0.796  1.00  0.00           C  
HETATM   21  C   UNL     1       0.698   1.265  -1.385  1.00  0.00           C  
HETATM   22  C   UNL     1       1.165   1.268  -2.818  1.00  0.00           C  
HETATM   23  O   UNL     1       2.664  -0.344   7.964  1.00  0.00           O  
HETATM   24  N   UNL     1       1.224  -1.991   7.593  1.00  0.00           N  
HETATM   25  C   UNL     1       0.403  -1.138   6.729  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.094   0.067   7.528  1.00  0.00           C  
HETATM   27  C   UNL     1       1.230  -0.662   5.563  1.00  0.00           C  
HETATM   28  O   UNL     1       2.426  -0.508   5.690  1.00  0.00           O  
HETATM   29  N   UNL     1       0.639  -0.406   4.378  1.00  0.00           N  
HETATM   30  O   UNL     1      -0.608   0.931   2.472  1.00  0.00           O  
HETATM   31  C   UNL     1       1.941  -1.149   2.446  1.00  0.00           C  
HETATM   32  C   UNL     1       2.898  -0.675   1.350  1.00  0.00           C  
HETATM   33  C   UNL     1       0.533   4.070   1.246  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.070   4.103   2.652  1.00  0.00           C  
HETATM   35  O   UNL     1       2.227   3.059  -0.849  1.00  0.00           O  
HETATM   36  O   UNL     1       1.581   2.291  -3.319  1.00  0.00           O  
HETATM   37  N   UNL     1       1.121   0.132  -3.543  1.00  0.00           N  
HETATM   38  C   UNL     1       1.575   0.135  -4.936  1.00  0.00           C  
HETATM   39  C   UNL     1       3.069  -0.193  -4.986  1.00  0.00           C  
HETATM   40  C   UNL     1       3.849   0.857  -4.194  1.00  0.00           C  
HETATM   41  C   UNL     1       0.807  -0.899  -5.717  1.00  0.00           C  
HETATM   42  O   UNL     1      -0.036  -1.573  -5.164  1.00  0.00           O  
HETATM   43  N   UNL     1       1.057  -1.077  -7.029  1.00  0.00           N  
HETATM   44  C   UNL     1       0.310  -2.083  -7.788  1.00  0.00           C  
HETATM   45  C   UNL     1       0.185  -1.634  -9.245  1.00  0.00           C  
HETATM   46  C   UNL     1      -0.543  -0.317  -9.304  1.00  0.00           C  
HETATM   47  C   UNL     1       0.151   0.852  -9.243  1.00  0.00           C  
HETATM   48  C   UNL     1      -0.505   2.079  -9.296  1.00  0.00           C  
HETATM   49  C   UNL     1      -1.860   2.145  -9.412  1.00  0.00           C  
HETATM   50  C   UNL     1      -1.942  -0.289  -9.429  1.00  0.00           C  
HETATM   51  C   UNL     1      -2.610   0.959  -9.479  1.00  0.00           C  
HETATM   52  C   UNL     1      -2.693  -1.475  -9.490  1.00  0.00           C  
HETATM   53  C   UNL     1      -4.011   0.987  -9.598  1.00  0.00           C  
HETATM   54  C   UNL     1      -4.047  -1.409  -9.605  1.00  0.00           C  
HETATM   55  C   UNL     1      -4.704  -0.181  -9.659  1.00  0.00           C  
HETATM   56  C   UNL     1       1.039  -3.401  -7.728  1.00  0.00           C  
HETATM   57  O   UNL     1       0.417  -4.441  -7.783  1.00  0.00           O  
HETATM   58  N   UNL     1       2.382  -3.423  -7.614  1.00  0.00           N  
HETATM   59  H   UNL     1       3.538  -3.232   8.484  1.00  0.00           H  
HETATM   60  H   UNL     1       4.037  -1.803   9.421  1.00  0.00           H  
HETATM   61  H   UNL     1       2.586  -2.718   9.897  1.00  0.00           H  
HETATM   62  H   UNL     1       0.737  -0.530   9.999  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.581  -1.309  11.921  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.987  -1.637  11.734  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.387   0.010   6.477  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.046  -1.558  10.353  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.793  -0.318   6.290  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.112  -1.096   8.212  1.00  0.00           H  
HETATM   69  H   UNL     1       2.296   0.626   3.612  1.00  0.00           H  
HETATM   70  H   UNL     1       1.104  -2.725   1.238  1.00  0.00           H  
HETATM   71  H   UNL     1       0.068  -2.203   2.588  1.00  0.00           H  
HETATM   72  H   UNL     1       0.227  -1.179   1.141  1.00  0.00           H  
HETATM   73  H   UNL     1       2.141   1.660   1.281  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.668   2.369   0.698  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.196   5.475   4.308  1.00  0.00           H  
HETATM   76  H   UNL     1       1.313   5.588   3.372  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.197   6.253   2.706  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.029   4.762   2.043  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.803   2.997   2.008  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.004   3.838   3.564  1.00  0.00           H  
HETATM   81  H   UNL     1       0.253   3.373  -1.373  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.349   0.968  -1.345  1.00  0.00           H  
HETATM   83  H   UNL     1       1.298   0.561  -0.809  1.00  0.00           H  
HETATM   84  H   UNL     1       0.964  -2.912   7.753  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.449  -1.708   6.361  1.00  0.00           H  
HETATM   86  H   UNL     1       0.758   0.637   7.896  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.705   0.701   6.885  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.317  -0.529   4.277  1.00  0.00           H  
HETATM   89  H   UNL     1       2.463  -1.835   3.112  1.00  0.00           H  
HETATM   90  H   UNL     1       2.362  -0.030   0.653  1.00  0.00           H  
HETATM   91  H   UNL     1       3.720  -0.118   1.801  1.00  0.00           H  
HETATM   92  H   UNL     1       3.294  -1.538   0.815  1.00  0.00           H  
HETATM   93  H   UNL     1       1.591   4.328   1.300  1.00  0.00           H  
HETATM   94  H   UNL     1       0.016   4.790   0.612  1.00  0.00           H  
HETATM   95  H   UNL     1       0.361   3.302   3.252  1.00  0.00           H  
HETATM   96  H   UNL     1       2.721   2.412  -0.328  1.00  0.00           H  
HETATM   97  H   UNL     1       0.789  -0.685  -3.143  1.00  0.00           H  
HETATM   98  H   UNL     1       1.405   1.119  -5.372  1.00  0.00           H  
HETATM   99  H   UNL     1       3.406  -0.191  -6.023  1.00  0.00           H  
HETATM  100  H   UNL     1       3.239  -1.177  -4.550  1.00  0.00           H  
HETATM  101  H   UNL     1       4.913   0.623  -4.230  1.00  0.00           H  
HETATM  102  H   UNL     1       3.679   1.841  -4.630  1.00  0.00           H  
HETATM  103  H   UNL     1       3.511   0.855  -3.158  1.00  0.00           H  
HETATM  104  H   UNL     1       1.732  -0.539  -7.471  1.00  0.00           H  
HETATM  105  H   UNL     1      -0.684  -2.198  -7.357  1.00  0.00           H  
HETATM  106  H   UNL     1       1.180  -1.519  -9.676  1.00  0.00           H  
HETATM  107  H   UNL     1      -0.370  -2.383  -9.810  1.00  0.00           H  
HETATM  108  H   UNL     1       1.226   0.828  -9.151  1.00  0.00           H  
HETATM  109  H   UNL     1       0.068   2.993  -9.245  1.00  0.00           H  
HETATM  110  H   UNL     1      -2.355   3.104  -9.452  1.00  0.00           H  
HETATM  111  H   UNL     1      -2.198  -2.434  -9.449  1.00  0.00           H  
HETATM  112  H   UNL     1      -4.533   1.931  -9.640  1.00  0.00           H  
HETATM  113  H   UNL     1      -4.622  -2.322  -9.656  1.00  0.00           H  
HETATM  114  H   UNL     1      -5.780  -0.157  -9.751  1.00  0.00           H  
HETATM  115  H   UNL     1       2.851  -4.271  -7.576  1.00  0.00           H  
HETATM  116  H   UNL     1       2.879  -2.592  -7.570  1.00  0.00           H  
CONECT    1    2   59   60   61                                       
CONECT    2    1   23   23   24                                       
CONECT    3    4    4    7   26                                       
CONECT    4    3    3    5   62                                       
CONECT    5    4    6    6   63                                       
CONECT    6    5    5    8   64                                       
CONECT    7    3    8    8    9                                       
CONECT    8    6    7    7   10                                       
CONECT    9    7   11   11   65                                       
CONECT   10    8   12   12   66                                       
CONECT   11    9    9   12   67                                       
CONECT   12   10   10   11   68                                       
CONECT   13   14   29   31   69                                       
CONECT   14   13   16   30   30                                       
CONECT   15   31   70   71   72                                       
CONECT   16   14   17   73                                            
CONECT   17   16   20   33   74                                       
CONECT   18   34   75   76   77                                       
CONECT   19   34   78   79   80                                       
CONECT   20   17   21   35   81                                       
CONECT   21   20   22   82   83                                       
CONECT   22   21   36   36   37                                       
CONECT   23    2    2                                                 
CONECT   24    2   25   84                                            
CONECT   25   24   26   27   85                                       
CONECT   26    3   25   86   87                                       
CONECT   27   25   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   13   27   88                                            
CONECT   30   14   14                                                 
CONECT   31   13   15   32   89                                       
CONECT   32   31   90   91   92                                       
CONECT   33   17   34   93   94                                       
CONECT   34   18   19   33   95                                       
CONECT   35   20   96                                                 
CONECT   36   22   22                                                 
CONECT   37   22   38   97                                            
CONECT   38   37   39   41   98                                       
CONECT   39   38   40   99  100                                       
CONECT   40   39  101  102  103                                       
CONECT   41   38   42   42   43                                       
CONECT   42   41   41                                                 
CONECT   43   41   44  104                                            
CONECT   44   43   45   56  105                                       
CONECT   45   44   46  106  107                                       
CONECT   46   45   47   47   50                                       
CONECT   47   46   46   48  108                                       
CONECT   48   47   49   49  109                                       
CONECT   49   48   48   51  110                                       
CONECT   50   46   51   51   52                                       
CONECT   51   49   50   50   53                                       
CONECT   52   50   54   54  111                                       
CONECT   53   51   55   55  112                                       
CONECT   54   52   52   55  113                                       
CONECT   55   53   53   54  114                                       
CONECT   56   44   57   57   58                                       
CONECT   57   56   56                                                 
CONECT   58   56  115  116                                            
CONECT   59    1                                                      
CONECT   60    1                                                      
CONECT   61    1                                                      
CONECT   62    4                                                      
CONECT   63    5                                                      
CONECT   64    6                                                      
CONECT   65    9                                                      
CONECT   66   10                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   13                                                      
CONECT   70   15                                                      
CONECT   71   15                                                      
CONECT   72   15                                                      
CONECT   73   16                                                      
CONECT   74   17                                                      
CONECT   75   18                                                      
CONECT   76   18                                                      
CONECT   77   18                                                      
CONECT   78   19                                                      
CONECT   79   19                                                      
CONECT   80   19                                                      
CONECT   81   20                                                      
CONECT   82   21                                                      
CONECT   83   21                                                      
CONECT   84   24                                                      
CONECT   85   25                                                      
CONECT   86   26                                                      
CONECT   87   26                                                      
CONECT   88   29                                                      
CONECT   89   31                                                      
CONECT   90   32                                                      
CONECT   91   32                                                      
CONECT   92   32                                                      
CONECT   93   33                                                      
CONECT   94   33                                                      
CONECT   95   34                                                      
CONECT   96   35                                                      
CONECT   97   37                                                      
CONECT   98   38                                                      
CONECT   99   39                                                      
CONECT  100   39                                                      
CONECT  101   40                                                      
CONECT  102   40                                                      
CONECT  103   40                                                      
CONECT  104   43                                                      
CONECT  105   44                                                      
CONECT  106   45                                                      
CONECT  107   45                                                      
CONECT  108   47                                                      
CONECT  109   48                                                      
CONECT  110   49                                                      
CONECT  111   52                                                      
CONECT  112   53                                                      
CONECT  113   54                                                      
CONECT  114   55                                                      
CONECT  115   58                                                      
CONECT  116   58                                                      
MASTER        0    0    0    0    0    0    0    0  116    0  116    0
END
