COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.973  -0.063   0.295  1.00  0.00           C  
HETATM    2  C   UNL     1       4.306  -1.291   0.891  1.00  0.00           C  
HETATM    3  C   UNL     1       5.662  -1.560   1.143  1.00  0.00           C  
HETATM    4  C   UNL     1       2.149  -1.243   0.671  1.00  0.00           C  
HETATM    5  N   UNL     1       6.563  -0.642   0.807  1.00  0.00           N  
HETATM    6  N   UNL     1       4.944   0.791  -0.010  1.00  0.00           N  
HETATM    7  O   UNL     1      -4.480  -4.209  -1.202  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.439  -3.595  -0.163  1.00  0.00           C  
HETATM    9  CA  UNL     1      -4.778  -2.126  -0.142  1.00  0.00           C  
HETATM   10  N   UNL     1      -5.562  -1.788  -1.337  1.00  0.00           N1+
HETATM   11  C   UNL     1      -3.487  -1.306  -0.129  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.828   0.179   0.018  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.536   0.987   0.162  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.866   2.392   0.435  1.00  0.00           N1+
HETATM   15  C   UNL     1      -3.518   2.496   1.747  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.743   3.970   2.089  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.422   4.079   3.456  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.730   0.894  -1.135  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.383   1.597  -0.949  1.00  0.00           C  
HETATM   20  O   UNL     1       0.415   0.879   0.008  1.00  0.00           O  
HETATM   21  C   UNL     1       0.393   1.604  -2.280  1.00  0.00           C  
HETATM   22  O   UNL     1       0.657   2.944  -2.698  1.00  0.00           O  
HETATM   23  C   UNL     1       1.715   0.868  -1.952  1.00  0.00           C  
HETATM   24  O   UNL     1       2.826   1.513  -2.578  1.00  0.00           O  
HETATM   25  C   UNL     1       1.791   1.008  -0.410  1.00  0.00           C  
HETATM   26  N   UNL     1       2.607  -0.063   0.166  1.00  0.00           N  
HETATM   27  N   UNL     1       3.148  -1.965   1.090  1.00  0.00           N  
HETATM   28  C   UNL     1       6.201   0.499   0.249  1.00  0.00           C  
HETATM   29  N   UNL     1       6.050  -2.752   1.728  1.00  0.00           N  
HETATM   30  OXT UNL     1      -4.092  -4.220   0.973  1.00  0.00           O  
HETATM   31  H   UNL     1       1.111  -1.539   0.711  1.00  0.00           H  
HETATM   32  HA  UNL     1      -5.361  -1.901   0.751  1.00  0.00           H  
HETATM   33  H1  UNL     1      -6.414  -2.329  -1.345  1.00  0.00           H  
HETATM   34  H2  UNL     1      -5.789  -0.804  -1.323  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.864  -1.620   0.708  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.947  -1.464  -1.063  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.371   0.516  -0.865  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.448   0.323   0.903  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.947   0.585   0.986  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.020   2.942   0.435  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.477   1.980   1.718  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.882   2.040   2.506  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.783   4.487   2.118  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.378   4.427   1.330  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.381   3.562   3.427  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.786   3.623   4.215  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.582   5.129   3.700  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.561  -0.153  -1.384  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.282   1.376  -1.941  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.543   2.619  -0.605  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.163   1.066  -3.048  1.00  0.00           H  
HETATM   52  H   UNL     1       1.143   3.008  -3.532  1.00  0.00           H  
HETATM   53  H   UNL     1       1.660  -0.180  -2.245  1.00  0.00           H  
HETATM   54  H   UNL     1       2.778   1.531  -3.543  1.00  0.00           H  
HETATM   55  H   UNL     1       2.186   1.985  -0.132  1.00  0.00           H  
HETATM   56  H   UNL     1       6.966   1.217  -0.008  1.00  0.00           H  
HETATM   57  H   UNL     1       5.383  -3.414   1.969  1.00  0.00           H  
HETATM   58  H   UNL     1       6.990  -2.926   1.897  1.00  0.00           H  
HETATM   59  HXT UNL     1      -3.884  -5.162   0.910  1.00  0.00           H  
HETATM   60  H3  UNL     1      -5.023  -1.997  -2.163  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.490   2.736  -0.279  1.00  0.00           H  
CONECT    1    2   26    6    6                                       
CONECT    2   27    3    3    1                                       
CONECT    3   29    2    2    5                                       
CONECT    4   27   27   26   31                                       
CONECT    5    3   28   28                                            
CONECT    6    1    1   28                                            
CONECT    7    8    8                                                 
CONECT    8    9    7    7   30                                       
CONECT    9   11   10    8   32                                       
CONECT   10    9   33   34   60                                       
CONECT   11   12    9   35   36                                       
CONECT   12   13   11   37   38                                       
CONECT   13   14   18   12   39                                       
CONECT   14   15   13   40   61                                       
CONECT   15   16   14   41   42                                       
CONECT   16   17   15   43   44                                       
CONECT   17   16   45   46   47                                       
CONECT   18   13   19   48   49                                       
CONECT   19   21   18   20   50                                       
CONECT   20   19   25                                                 
CONECT   21   22   19   23   51                                       
CONECT   22   21   52                                                 
CONECT   23   21   25   24   53                                       
CONECT   24   23   54                                                 
CONECT   25   23   26   20   55                                       
CONECT   26    4    1   25                                            
CONECT   27    2    4    4                                            
CONECT   28    5    5    6   56                                       
CONECT   29    3   57   58                                            
CONECT   30    8   59                                                 
CONECT   31    4                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
CONECT   59   30                                                      
CONECT   60   10                                                      
CONECT   61   14                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
