COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.411  -2.302   0.894  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.145  -1.320   2.065  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.841  -0.615   1.635  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.164   0.706   0.983  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.022   1.881   1.696  1.00  0.00           C  
HETATM    6  C   UNL     1       1.390   2.354  -0.919  1.00  0.00           C  
HETATM    7  CA  UNL     1       1.830   1.222  -0.026  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.228   0.016   0.391  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.002  -1.230   0.045  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.971  -2.719   0.503  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.930  -3.182  -0.931  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.318   3.092   1.099  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.755   3.127  -0.212  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.078   4.447  -0.864  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.896   1.952  -0.926  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.596   0.741  -0.329  1.00  0.00           C  
HETATM   17  C   UNL     1       3.315   0.938  -0.256  1.00  0.00           C  
HETATM   18  C   UNL     1       3.791  -0.124   0.737  1.00  0.00           C  
HETATM   19  C   UNL     1       5.254  -0.404   0.511  1.00  0.00           C  
HETATM   20  C   UNL     1       6.211   0.327   1.189  1.00  0.00           C  
HETATM   21  C   UNL     1       7.554   0.071   0.981  1.00  0.00           C  
HETATM   22  C   UNL     1       7.939  -0.917   0.094  1.00  0.00           C  
HETATM   23  C   UNL     1       6.982  -1.648  -0.584  1.00  0.00           C  
HETATM   24  C   UNL     1       5.640  -1.396  -0.372  1.00  0.00           C  
HETATM   25  N   UNL     1       1.047   0.019  -0.339  1.00  0.00           N  
HETATM   26  N   UNL     1      -2.165  -1.496   0.671  1.00  0.00           N  
HETATM   27  O   UNL     1       0.515   2.176  -1.732  1.00  0.00           O  
HETATM   28  O   UNL     1      -2.768  -2.381  -1.820  1.00  0.00           O  
HETATM   29  O   UNL     1      -3.074  -4.485  -1.219  1.00  0.00           O  
HETATM   30  O   UNL     1      -0.578  -1.993  -0.796  1.00  0.00           O  
HETATM   31  OXT UNL     1       1.972   3.559  -0.810  1.00  0.00           O  
HETATM   32  H   UNL     1      -4.990  -3.163   1.229  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.910  -1.798   0.066  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.959  -0.602   2.158  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.002  -1.863   2.999  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.203  -0.453   2.503  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.680   1.854   2.720  1.00  0.00           H  
HETATM   38  HA  UNL     1       1.670   1.499   1.016  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.810   0.895   0.110  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.034   0.038   1.463  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.611  -3.507   1.165  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.207   4.010   1.656  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.184   4.844  -1.343  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.858   4.302  -1.612  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.427   5.150  -0.107  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.237   1.979  -1.950  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.703  -0.177  -0.888  1.00  0.00           H  
HETATM   48  H   UNL     1       3.463   0.576  -1.273  1.00  0.00           H  
HETATM   49  H   UNL     1       3.887   1.854  -0.110  1.00  0.00           H  
HETATM   50  H   UNL     1       3.644   0.238   1.755  1.00  0.00           H  
HETATM   51  H   UNL     1       3.219  -1.040   0.591  1.00  0.00           H  
HETATM   52  H   UNL     1       5.910   1.099   1.882  1.00  0.00           H  
HETATM   53  H   UNL     1       8.301   0.642   1.511  1.00  0.00           H  
HETATM   54  H   UNL     1       8.988  -1.114  -0.072  1.00  0.00           H  
HETATM   55  H   UNL     1       7.283  -2.420  -1.277  1.00  0.00           H  
HETATM   56  H   UNL     1       4.892  -1.967  -0.902  1.00  0.00           H  
HETATM   57  H   UNL     1       0.895  -0.065  -1.332  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.040  -4.734  -2.153  1.00  0.00           H  
HETATM   59  HXT UNL     1       1.656   4.253  -1.405  1.00  0.00           H  
CONECT    1   10    2   32   33                                       
CONECT    2    3    1   34   35                                       
CONECT    3   26    4    2   36                                       
CONECT    4    3    5    5   16                                       
CONECT    5    4    4   12   37                                       
CONECT    6   27   27    7   31                                       
CONECT    7   17    6   25   38                                       
CONECT    8   25    9   39   40                                       
CONECT    9    8   30   30   26                                       
CONECT   10   26   11    1   41                                       
CONECT   11   10   28   28   29                                       
CONECT   12    5   13   13   42                                       
CONECT   13   12   12   15   14                                       
CONECT   14   13   43   44   45                                       
CONECT   15   16   16   13   46                                       
CONECT   16    4   15   15   47                                       
CONECT   17   18    7   48   49                                       
CONECT   18   19   17   50   51                                       
CONECT   19   24   24   20   18                                       
CONECT   20   21   21   19   52                                       
CONECT   21   22   20   20   53                                       
CONECT   22   23   23   21   54                                       
CONECT   23   22   22   24   55                                       
CONECT   24   23   19   19   56                                       
CONECT   25    7    8   57                                            
CONECT   26    9    3   10                                            
CONECT   27    6    6                                                 
CONECT   28   11   11                                                 
CONECT   29   11   58                                                 
CONECT   30    9    9                                                 
CONECT   31    6   59                                                 
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    5                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41   10                                                      
CONECT   42   12                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   29                                                      
CONECT   59   31                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
