COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.003  -2.187   1.606  1.00  0.00           C  
HETATM    2  CA  UNL     1      -1.048  -3.145   2.120  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.481  -4.571   2.136  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.357  -5.361   1.143  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.652  -4.514   1.039  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.300  -4.826  -0.255  1.00  0.00           C  
HETATM    7  CA  UNL     1      -3.680  -1.820  -0.333  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.280  -0.595  -2.271  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.754   3.923   0.308  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.772  -2.001   0.769  1.00  0.00           C  
HETATM   11  C   UNL     1       0.806   4.290   1.845  1.00  0.00           C  
HETATM   12  C   UNL     1       1.687   3.158   1.258  1.00  0.00           C  
HETATM   13  C   UNL     1       3.022  -1.650  -0.345  1.00  0.00           C  
HETATM   14  C   UNL     1       3.150  -2.939  -1.117  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.606   3.880   1.381  1.00  0.00           C  
HETATM   16  CA  UNL     1      -3.841   2.000  -0.887  1.00  0.00           C  
HETATM   17  C   UNL     1       1.324   1.500  -0.606  1.00  0.00           C  
HETATM   18  CA  UNL     1       2.576   0.743  -0.246  1.00  0.00           C  
HETATM   19  C   UNL     1       3.802   1.573  -0.633  1.00  0.00           C  
HETATM   20  C   UNL     1       5.050   0.884  -0.143  1.00  0.00           C  
HETATM   21  C   UNL     1       5.677  -0.058  -0.937  1.00  0.00           C  
HETATM   22  C   UNL     1       5.570   1.199   1.099  1.00  0.00           C  
HETATM   23  C   UNL     1       6.715   0.567   1.549  1.00  0.00           C  
HETATM   24  C   UNL     1       7.340  -0.379   0.757  1.00  0.00           C  
HETATM   25  C   UNL     1       6.823  -0.690  -0.486  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.612   0.675  -0.206  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.320  -2.108  -2.606  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.352   4.236  -0.276  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.457   2.595  -0.602  1.00  0.00           C  
HETATM   30  CA  UNL     1      -0.323   3.285   0.007  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.571   4.950   1.356  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.633   5.097   0.689  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.577  -4.136  -1.274  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.384  -2.705  -1.537  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.160   2.614  -0.397  1.00  0.00           C  
HETATM   36  N   UNL     1      -2.225  -3.129   1.223  1.00  0.00           N  
HETATM   37  N   UNL     1      -3.825  -0.474  -0.878  1.00  0.00           N  
HETATM   38  N   UNL     1      -2.746   2.933  -0.545  1.00  0.00           N  
HETATM   39  N   UNL     1       2.601  -0.531  -0.968  1.00  0.00           N  
HETATM   40  N   UNL     1       0.930   2.547   0.144  1.00  0.00           N  
HETATM   41  O   UNL     1       0.072  -1.952   0.424  1.00  0.00           O  
HETATM   42  OXT UNL     1       0.841  -1.592   2.464  1.00  0.00           O  
HETATM   43  O   UNL     1      -1.195   1.595  -1.235  1.00  0.00           O  
HETATM   44  O   UNL     1       0.670   1.166  -1.572  1.00  0.00           O  
HETATM   45  O   UNL     1       3.296  -1.620   0.836  1.00  0.00           O  
HETATM   46  O   UNL     1      -3.236   0.643   0.947  1.00  0.00           O  
HETATM   47  O   UNL     1      -2.457  -0.995   1.369  1.00  0.00           O  
HETATM   48 CL   UNL     1       5.028  -0.448  -2.499  1.00  0.00          Cl  
HETATM   49  HA  UNL     1      -1.348  -2.856   3.127  1.00  0.00           H  
HETATM   50  H   UNL     1       0.558  -4.569   1.806  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.560  -4.998   3.135  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.866  -5.432   0.173  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.577  -6.354   1.534  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.324  -4.791   1.851  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.598  -5.860  -0.345  1.00  0.00           H  
HETATM   56  HA  UNL     1      -4.667  -2.105   0.032  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.569  -0.089  -2.924  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.273  -0.161  -2.393  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.696   3.776   1.386  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.457   4.721   0.067  1.00  0.00           H  
HETATM   61  H   UNL     1       0.868   4.305   2.933  1.00  0.00           H  
HETATM   62  H   UNL     1       1.089   5.257   1.429  1.00  0.00           H  
HETATM   63  H   UNL     1       2.624   3.573   0.885  1.00  0.00           H  
HETATM   64  H   UNL     1       1.889   2.410   2.024  1.00  0.00           H  
HETATM   65  H   UNL     1       3.583  -3.705  -0.474  1.00  0.00           H  
HETATM   66  H   UNL     1       2.165  -3.261  -1.453  1.00  0.00           H  
HETATM   67  H   UNL     1       3.796  -2.782  -1.981  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.974   3.083   2.028  1.00  0.00           H  
HETATM   69  HA  UNL     1      -3.880   1.857  -1.967  1.00  0.00           H  
HETATM   70  HA  UNL     1       2.590   0.553   0.827  1.00  0.00           H  
HETATM   71  H   UNL     1       3.845   1.674  -1.717  1.00  0.00           H  
HETATM   72  H   UNL     1       3.730   2.561  -0.179  1.00  0.00           H  
HETATM   73  H   UNL     1       5.082   1.938   1.717  1.00  0.00           H  
HETATM   74  H   UNL     1       7.121   0.813   2.519  1.00  0.00           H  
HETATM   75  H   UNL     1       8.234  -0.871   1.109  1.00  0.00           H  
HETATM   76  H   UNL     1       7.311  -1.429  -1.104  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.328  -2.505  -2.482  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.950  -2.292  -3.615  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.471   4.775  -1.216  1.00  0.00           H  
HETATM   80  HA  UNL     1      -0.096   4.128  -0.646  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.348   5.777   2.013  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.116   6.048   0.858  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.030  -4.687  -2.085  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.349  -2.535  -1.837  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.652   1.942   0.306  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.816   2.825  -1.241  1.00  0.00           H  
HETATM   87  H   UNL     1       2.316  -0.570  -1.894  1.00  0.00           H  
HETATM   88  HXT UNL     1       1.440  -0.926   2.099  1.00  0.00           H  
CONECT    1   41   41    2   42                                       
CONECT    2   36    1    3   49                                       
CONECT    3    2    4   50   51                                       
CONECT    4    5    3   52   53                                       
CONECT    5    6   36    4   54                                       
CONECT    6   33   33    5   55                                       
CONECT    7   34   37   10   56                                       
CONECT    8   27   37   57   58                                       
CONECT    9   35   28   59   60                                       
CONECT   10    7   47   47   36                                       
CONECT   11   12   15   61   62                                       
CONECT   12   11   40   63   64                                       
CONECT   13   14   45   45   39                                       
CONECT   14   13   65   66   67                                       
CONECT   15   11   31   30   68                                       
CONECT   16   26   38   35   69                                       
CONECT   17   40   18   44   44                                       
CONECT   18   39   17   19   70                                       
CONECT   19   18   20   71   72                                       
CONECT   20   22   19   21   21                                       
CONECT   21   20   20   25   48                                       
CONECT   22   23   23   20   73                                       
CONECT   23   22   22   24   74                                       
CONECT   24   23   25   25   75                                       
CONECT   25   24   24   21   76                                       
CONECT   26   46   46   37   16                                       
CONECT   27    8   34   77   78                                       
CONECT   28    9   32   38   79                                       
CONECT   29   43   43   38   30                                       
CONECT   30   15   29   40   80                                       
CONECT   31   15   32   32   81                                       
CONECT   32   31   31   28   82                                       
CONECT   33   34    6    6   83                                       
CONECT   34   27   33    7   84                                       
CONECT   35   16    9   85   86                                       
CONECT   36   10    5    2                                            
CONECT   37    8   26    7                                            
CONECT   38   16   29   28                                            
CONECT   39   13   18   87                                            
CONECT   40   12   30   17                                            
CONECT   41    1    1                                                 
CONECT   42    1   88                                                 
CONECT   43   29   29                                                 
CONECT   44   17   17                                                 
CONECT   45   13   13                                                 
CONECT   46   26   26                                                 
CONECT   47   10   10                                                 
CONECT   48   21                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60    9                                                      
CONECT   61   11                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   12                                                      
CONECT   65   14                                                      
CONECT   66   14                                                      
CONECT   67   14                                                      
CONECT   68   15                                                      
CONECT   69   16                                                      
CONECT   70   18                                                      
CONECT   71   19                                                      
CONECT   72   19                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   27                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
CONECT   86   35                                                      
CONECT   87   39                                                      
CONECT   88   42                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
