COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.456   1.008  -2.186  1.00  0.00           C  
HETATM    2  C   UNL     1       9.356   0.140  -0.836  1.00  0.00           C  
HETATM    3  C   UNL     1       9.618   1.815   0.725  1.00  0.00           C  
HETATM    4  C   UNL     1      10.158   2.484   1.811  1.00  0.00           C  
HETATM    5  C   UNL     1       5.183   1.068  -1.141  1.00  0.00           C  
HETATM    6  C   UNL     1       8.519   2.100  -0.221  1.00  0.00           C  
HETATM    7  C   UNL     1      11.210   0.021   1.038  1.00  0.00           C  
HETATM    8  C   UNL     1      10.150   0.569   0.334  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.690  -0.734   0.579  1.00  0.00           C  
HETATM   10  C   UNL     1       6.088  -1.053  -1.807  1.00  0.00           C  
HETATM   11  C   UNL     1       3.916  -0.942  -0.788  1.00  0.00           C  
HETATM   12  C   UNL     1       2.691  -1.615  -0.309  1.00  0.00           C  
HETATM   13  CA  UNL     1      -3.770  -2.628   0.244  1.00  0.00           C  
HETATM   14  C   UNL     1       0.524  -1.620   0.692  1.00  0.00           C  
HETATM   15  C   UNL     1       0.713  -2.044   2.150  1.00  0.00           C  
HETATM   16  C   UNL     1       4.948  -1.688  -1.362  1.00  0.00           C  
HETATM   17  C   UNL     1       6.207   0.321  -1.697  1.00  0.00           C  
HETATM   18  C   UNL     1      11.219   1.923   2.506  1.00  0.00           C  
HETATM   19  C   UNL     1      11.741   0.702   2.123  1.00  0.00           C  
HETATM   20  C   UNL     1       4.039   0.445  -0.687  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.956  -1.299   0.445  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.590  -3.839   0.143  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.248  -1.330   0.217  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.660  -0.908   0.084  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.590  -1.211   1.084  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.898  -0.793   0.911  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.241  -0.097  -0.233  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.664   0.360  -0.425  1.00  0.00           C  
HETATM   29  C   UNL     1     -11.214   2.148   0.093  1.00  0.00           C  
HETATM   30  C   UNL     1     -11.314   3.574   0.640  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.150   4.087  -0.250  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.029   2.666  -0.806  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.085  -0.196  -1.039  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.078  -0.454   0.347  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.912   0.933   0.386  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.661   1.463   0.519  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.550   0.635   0.615  1.00  0.00           C  
HETATM   38  N   UNL     1       8.431   1.082  -1.095  1.00  0.00           N  
HETATM   39  N   UNL     1      -2.398  -2.599   0.380  1.00  0.00           N  
HETATM   40  N   UNL     1      -9.801   1.746   0.042  1.00  0.00           N  
HETATM   41  N   UNL     1      -7.342   0.175  -1.160  1.00  0.00           N  
HETATM   42  O   UNL     1       1.698  -0.892   0.243  1.00  0.00           O  
HETATM   43  O   UNL     1       2.580  -2.820  -0.413  1.00  0.00           O  
HETATM   44  O   UNL     1       9.516  -0.888  -1.463  1.00  0.00           O  
HETATM   45  O   UNL     1       7.814   3.089  -0.211  1.00  0.00           O  
HETATM   46  O   UNL     1      -5.797  -3.748   0.026  1.00  0.00           O  
HETATM   47  OXT UNL     1      -4.006  -5.054   0.182  1.00  0.00           O  
HETATM   48  O   UNL     1     -10.532   4.449  -0.178  1.00  0.00           O  
HETATM   49  H   UNL     1       7.881   0.442  -3.016  1.00  0.00           H  
HETATM   50  H   UNL     1       7.209   2.015  -2.522  1.00  0.00           H  
HETATM   51  H   UNL     1       9.755   3.439   2.115  1.00  0.00           H  
HETATM   52  H   UNL     1       5.282   2.140  -1.059  1.00  0.00           H  
HETATM   53  H   UNL     1      11.621  -0.933   0.743  1.00  0.00           H  
HETATM   54  H   UNL     1       6.891  -1.630  -2.243  1.00  0.00           H  
HETATM   55  H   UNL     1       0.387  -2.506   0.071  1.00  0.00           H  
HETATM   56  H   UNL     1       0.851  -1.158   2.770  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.168  -2.590   2.487  1.00  0.00           H  
HETATM   58  H   UNL     1       1.591  -2.684   2.231  1.00  0.00           H  
HETATM   59  H   UNL     1       4.853  -2.760  -1.456  1.00  0.00           H  
HETATM   60  H   UNL     1      11.641   2.445   3.353  1.00  0.00           H  
HETATM   61  H   UNL     1      12.566   0.275   2.672  1.00  0.00           H  
HETATM   62  H   UNL     1       3.241   1.029  -0.252  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.295  -1.757   1.968  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.644  -1.009   1.662  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.924   0.305  -1.482  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.333  -0.284   0.147  1.00  0.00           H  
HETATM   67  H   UNL     1     -11.762   1.469   0.747  1.00  0.00           H  
HETATM   68  H   UNL     1     -11.640   2.111  -0.910  1.00  0.00           H  
HETATM   69  H   UNL     1     -12.355   3.897   0.626  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.938   3.599   1.663  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.711   4.127   0.747  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.626   4.781  -0.907  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.419   2.638  -1.823  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.981   2.365  -0.810  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.377   0.048  -1.817  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.771   1.583   0.311  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.534   2.536   0.549  1.00  0.00           H  
HETATM   78  H   UNL     1       0.433   1.070   0.724  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.827  -3.382   0.425  1.00  0.00           H  
HETATM   80  HXT UNL     1      -4.627  -5.792   0.108  1.00  0.00           H  
CONECT    1   38   17   49   50                                       
CONECT    2    8   44   44   38                                       
CONECT    3    4    4    8    6                                       
CONECT    4   18    3    3   51                                       
CONECT    5   20   20   17   52                                       
CONECT    6    3   38   45   45                                       
CONECT    7   19    8    8   53                                       
CONECT    8    7    7    3    2                                       
CONECT    9   21   21   37   14                                       
CONECT   10   17   17   16   54                                       
CONECT   11   20   12   16   16                                       
CONECT   12   43   43   11   42                                       
CONECT   13   22   23   23   39                                       
CONECT   14    9   42   15   55                                       
CONECT   15   14   56   57   58                                       
CONECT   16   11   11   10   59                                       
CONECT   17    5    1   10   10                                       
CONECT   18   19   19    4   60                                       
CONECT   19   18   18    7   61                                       
CONECT   20    5    5   11   62                                       
CONECT   21   34   39    9    9                                       
CONECT   22   46   46   47   13                                       
CONECT   23   24   13   13   34                                       
CONECT   24   25   25   33   23                                       
CONECT   25   26   24   24   63                                       
CONECT   26   27   27   25   64                                       
CONECT   27   28   26   26   41                                       
CONECT   28   40   27   65   66                                       
CONECT   29   30   40   67   68                                       
CONECT   30   48   29   69   70                                       
CONECT   31   48   32   71   72                                       
CONECT   32   31   40   73   74                                       
CONECT   33   41   41   24   75                                       
CONECT   34   23   35   35   21                                       
CONECT   35   34   34   36   76                                       
CONECT   36   35   37   37   77                                       
CONECT   37   36   36    9   78                                       
CONECT   38    2    6    1                                            
CONECT   39   13   21   79                                            
CONECT   40   29   28   32                                            
CONECT   41   27   33   33                                            
CONECT   42   12   14                                                 
CONECT   43   12   12                                                 
CONECT   44    2    2                                                 
CONECT   45    6    6                                                 
CONECT   46   22   22                                                 
CONECT   47   22   80                                                 
CONECT   48   30   31                                                 
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    7                                                      
CONECT   54   10                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   37                                                      
CONECT   79   39                                                      
CONECT   80   47                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
