COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -8.050  -1.127   0.857  1.00  0.00           O  
HETATM    2  C   UNL     1      -7.888  -0.607  -0.229  1.00  0.00           C  
HETATM    3  O   UNL     1      -8.950  -0.340  -1.013  1.00  0.00           O  
HETATM    4  C   UNL     1     -10.258  -0.701  -0.495  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.513   0.051   0.813  1.00  0.00           C  
HETATM    6  C   UNL     1     -11.332  -0.324  -1.517  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.306  -2.208  -0.236  1.00  0.00           C  
HETATM    8  N   UNL     1      -6.646  -0.293  -0.648  1.00  0.00           N  
HETATM    9  CA  UNL     1      -5.491  -0.577   0.207  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.040  -2.023  -0.010  1.00  0.00           C  
HETATM   11  O   UNL     1      -4.566  -2.178  -1.349  1.00  0.00           O  
HETATM   12  C   UNL     1      -4.363   0.359  -0.144  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.510   1.183  -1.022  1.00  0.00           O  
HETATM   14  N   UNL     1      -3.192   0.280   0.518  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.096   1.191   0.176  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.270   2.506   0.938  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.532   3.217   0.446  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.398   2.216   2.435  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.781   0.560   0.558  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.755  -0.339   1.365  1.00  0.00           O  
HETATM   21  C   UNL     1       0.499   1.049  -0.067  1.00  0.00           C  
HETATM   22  C   UNL     1       1.658   0.152   0.373  1.00  0.00           C  
HETATM   23  C   UNL     1       1.450  -1.258  -0.183  1.00  0.00           C  
HETATM   24  C   UNL     1       2.571  -2.152   0.281  1.00  0.00           C  
HETATM   25  C   UNL     1       2.304  -3.245   0.951  1.00  0.00           C  
HETATM   26  C   UNL     1       0.882  -3.565   1.334  1.00  0.00           C  
HETATM   27  C   UNL     1       3.418  -4.183   1.338  1.00  0.00           C  
HETATM   28  C   UNL     1       2.955   0.712  -0.151  1.00  0.00           C  
HETATM   29  O   UNL     1       2.950   1.463  -1.104  1.00  0.00           O  
HETATM   30  N   UNL     1       4.120   0.379   0.439  1.00  0.00           N  
HETATM   31  C   UNL     1       5.366   1.021   0.013  1.00  0.00           C  
HETATM   32  C   UNL     1       6.547   0.102   0.331  1.00  0.00           C  
HETATM   33  C   UNL     1       6.442  -1.172  -0.509  1.00  0.00           C  
HETATM   34  C   UNL     1       7.606  -2.077  -0.197  1.00  0.00           C  
HETATM   35  O   UNL     1       7.721  -3.261  -0.819  1.00  0.00           O  
HETATM   36  C   UNL     1       8.867  -4.081  -0.469  1.00  0.00           C  
HETATM   37  C   UNL     1       8.829  -5.381  -1.274  1.00  0.00           C  
HETATM   38  O   UNL     1       8.434  -1.738   0.614  1.00  0.00           O  
HETATM   39  C   UNL     1       5.537   2.347   0.758  1.00  0.00           C  
HETATM   40  C   UNL     1       4.423   3.311   0.345  1.00  0.00           C  
HETATM   41  C   UNL     1       4.555   4.650   1.108  1.00  0.00           C  
HETATM   42  C   UNL     1       4.122   5.670   0.031  1.00  0.00           C  
HETATM   43  N   UNL     1       4.402   5.023  -1.256  1.00  0.00           N  
HETATM   44  C   UNL     1       4.570   3.697  -1.110  1.00  0.00           C  
HETATM   45  O   UNL     1       4.805   2.924  -2.014  1.00  0.00           O  
HETATM   46  H   UNL     1     -10.478   1.124   0.628  1.00  0.00           H  
HETATM   47  H   UNL     1     -11.495  -0.220   1.202  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.748  -0.218   1.541  1.00  0.00           H  
HETATM   49  H   UNL     1     -11.150  -0.859  -2.449  1.00  0.00           H  
HETATM   50  H   UNL     1     -12.314  -0.595  -1.129  1.00  0.00           H  
HETATM   51  H   UNL     1     -11.298   0.749  -1.702  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.541  -2.476   0.492  1.00  0.00           H  
HETATM   53  H   UNL     1     -11.288  -2.478   0.153  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.125  -2.743  -1.168  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.517   0.122  -1.515  1.00  0.00           H  
HETATM   56  HA  UNL     1      -5.768  -0.437   1.252  1.00  0.00           H  
HETATM   57  H1  UNL     1      -4.238  -2.263   0.689  1.00  0.00           H  
HETATM   58  H2  UNL     1      -5.881  -2.696   0.158  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.263  -3.072  -1.558  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.074  -0.378   1.220  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.107   1.387  -0.896  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.403   3.144   0.764  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.410   2.643   0.741  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.583   4.213   0.887  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.501   3.302  -0.641  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.499   1.710   2.785  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.522   3.154   2.977  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.265   1.579   2.608  1.00  0.00           H  
HETATM   69  H   UNL     1       0.409   1.019  -1.153  1.00  0.00           H  
HETATM   70  H   UNL     1       0.691   2.074   0.253  1.00  0.00           H  
HETATM   71  H   UNL     1       1.693   0.112   1.462  1.00  0.00           H  
HETATM   72  H   UNL     1       0.499  -1.653   0.175  1.00  0.00           H  
HETATM   73  H   UNL     1       1.441  -1.222  -1.272  1.00  0.00           H  
HETATM   74  H   UNL     1       3.596  -1.890   0.061  1.00  0.00           H  
HETATM   75  H   UNL     1       0.388  -4.073   0.505  1.00  0.00           H  
HETATM   76  H   UNL     1       0.878  -4.213   2.211  1.00  0.00           H  
HETATM   77  H   UNL     1       0.350  -2.641   1.562  1.00  0.00           H  
HETATM   78  H   UNL     1       4.367  -3.788   0.977  1.00  0.00           H  
HETATM   79  H   UNL     1       3.452  -4.278   2.424  1.00  0.00           H  
HETATM   80  H   UNL     1       3.239  -5.162   0.894  1.00  0.00           H  
HETATM   81  H   UNL     1       4.133  -0.285   1.145  1.00  0.00           H  
HETATM   82  H   UNL     1       5.330   1.210  -1.060  1.00  0.00           H  
HETATM   83  H   UNL     1       7.480   0.616   0.096  1.00  0.00           H  
HETATM   84  H   UNL     1       6.532  -0.157   1.389  1.00  0.00           H  
HETATM   85  H   UNL     1       5.509  -1.685  -0.275  1.00  0.00           H  
HETATM   86  H   UNL     1       6.457  -0.912  -1.568  1.00  0.00           H  
HETATM   87  H   UNL     1       9.785  -3.539  -0.697  1.00  0.00           H  
HETATM   88  H   UNL     1       8.837  -4.312   0.596  1.00  0.00           H  
HETATM   89  H   UNL     1       9.690  -5.997  -1.011  1.00  0.00           H  
HETATM   90  H   UNL     1       7.911  -5.923  -1.046  1.00  0.00           H  
HETATM   91  H   UNL     1       8.860  -5.150  -2.339  1.00  0.00           H  
HETATM   92  H   UNL     1       5.484   2.170   1.832  1.00  0.00           H  
HETATM   93  H   UNL     1       6.505   2.782   0.509  1.00  0.00           H  
HETATM   94  H   UNL     1       3.446   2.863   0.524  1.00  0.00           H  
HETATM   95  H   UNL     1       3.883   4.678   1.965  1.00  0.00           H  
HETATM   96  H   UNL     1       5.586   4.823   1.416  1.00  0.00           H  
HETATM   97  H   UNL     1       3.057   5.885   0.122  1.00  0.00           H  
HETATM   98  H   UNL     1       4.702   6.588   0.126  1.00  0.00           H  
HETATM   99  H   UNL     1       4.459   5.492  -2.103  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    8    3                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    7    6                                       
CONECT    5    4   46   47   48                                       
CONECT    6    4   49   50   51                                       
CONECT    7    4   52   53   54                                       
CONECT    8    2    9   55                                            
CONECT    9    8   10   12   56                                       
CONECT   10    9   11   57   58                                       
CONECT   11   10   59                                                 
CONECT   12    9   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   60                                            
CONECT   15   14   19   16   61                                       
CONECT   16   15   18   17   62                                       
CONECT   17   16   63   64   65                                       
CONECT   18   16   66   67   68                                       
CONECT   19   15   21   20   20                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   69   70                                       
CONECT   22   21   23   28   71                                       
CONECT   23   22   24   72   73                                       
CONECT   24   23   25   25   74                                       
CONECT   25   24   24   26   27                                       
CONECT   26   25   75   76   77                                       
CONECT   27   25   78   79   80                                       
CONECT   28   22   30   29   29                                       
CONECT   29   28   28                                                 
CONECT   30   28   31   81                                            
CONECT   31   30   39   32   82                                       
CONECT   32   31   33   83   84                                       
CONECT   33   32   34   85   86                                       
CONECT   34   33   38   38   35                                       
CONECT   35   34   36                                                 
CONECT   36   35   37   87   88                                       
CONECT   37   36   89   90   91                                       
CONECT   38   34   34                                                 
CONECT   39   31   40   92   93                                       
CONECT   40   39   44   41   94                                       
CONECT   41   40   42   95   96                                       
CONECT   42   41   43   97   98                                       
CONECT   43   42   44   99                                            
CONECT   44   40   43   45   45                                       
CONECT   45   44   44                                                 
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   21                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   23                                                      
CONECT   73   23                                                      
CONECT   74   24                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   27                                                      
CONECT   80   27                                                      
CONECT   81   30                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   32                                                      
CONECT   85   33                                                      
CONECT   86   33                                                      
CONECT   87   36                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   37                                                      
CONECT   91   37                                                      
CONECT   92   39                                                      
CONECT   93   39                                                      
CONECT   94   40                                                      
CONECT   95   41                                                      
CONECT   96   41                                                      
CONECT   97   42                                                      
CONECT   98   42                                                      
CONECT   99   43                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
