COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.503   5.287   2.486  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.636   4.924   1.279  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.102   3.500   1.444  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.702   1.713   0.401  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.255   0.048  -0.542  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.346  -1.025  -0.513  1.00  0.00           C  
HETATM    7  CA  UNL     1      -3.829  -3.422  -0.001  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.209  -4.776   0.233  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.277  -0.251  -1.680  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.119   0.748  -1.633  1.00  0.00           C  
HETATM   11  O   UNL     1       0.659   0.539  -0.442  1.00  0.00           O  
HETATM   12  C   UNL     1       2.193   0.223  -2.197  1.00  0.00           C  
HETATM   13  C   UNL     1       0.816   0.524  -2.837  1.00  0.00           C  
HETATM   14  C   UNL     1       2.672  -0.915   0.927  1.00  0.00           C  
HETATM   15  C   UNL     1       4.704  -0.336   1.413  1.00  0.00           C  
HETATM   16  C   UNL     1       6.016  -0.171   1.890  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.236   3.137   0.236  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.869   1.365  -0.758  1.00  0.00           N1+
HETATM   19  C   UNL     1      -2.723  -2.375  -0.152  1.00  0.00           C  
HETATM   20  N   UNL     1      -4.684  -3.071   1.141  1.00  0.00           N1+
HETATM   21  O   UNL     1      -3.146  -5.226   1.353  1.00  0.00           O  
HETATM   22  OXT UNL     1      -2.728  -5.482  -0.802  1.00  0.00           O  
HETATM   23  C   UNL     1       2.032   0.830  -0.780  1.00  0.00           C  
HETATM   24  O   UNL     1       3.243   0.876  -2.915  1.00  0.00           O  
HETATM   25  O   UNL     1       0.885   1.702  -3.642  1.00  0.00           O  
HETATM   26  N   UNL     1       2.945   0.183   0.166  1.00  0.00           N  
HETATM   27  N   UNL     1       3.705  -1.218   1.657  1.00  0.00           N  
HETATM   28  N   UNL     1       6.537  -1.032   2.839  1.00  0.00           N  
HETATM   29  N   UNL     1       6.743   0.831   1.408  1.00  0.00           N  
HETATM   30  C   UNL     1       6.254   1.658   0.502  1.00  0.00           C  
HETATM   31  N   UNL     1       5.029   1.546   0.031  1.00  0.00           N  
HETATM   32  C   UNL     1       4.230   0.570   0.449  1.00  0.00           C  
HETATM   33  H   UNL     1      -6.884   6.301   2.369  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.339   4.591   2.556  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.904   5.226   3.395  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.235   4.985   0.370  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.800   5.620   1.210  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.503   3.439   2.352  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.939   2.804   1.513  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.103   1.652   1.310  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.538   1.017   0.470  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.720   0.048   0.407  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.096  -0.760   0.232  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.816  -1.092  -1.494  1.00  0.00           H  
HETATM   45  HA  UNL     1      -4.429  -3.450  -0.910  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.888  -1.263  -1.568  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.793  -0.164  -2.636  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.508   1.766  -1.647  1.00  0.00           H  
HETATM   49  H   UNL     1       2.371  -0.851  -2.142  1.00  0.00           H  
HETATM   50  H   UNL     1       0.478  -0.326  -3.430  1.00  0.00           H  
HETATM   51  H   UNL     1       1.735  -1.452   0.926  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.835   3.198  -0.672  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.399   3.833   0.167  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.443   1.336  -1.588  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.146   2.058  -0.874  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.037  -2.682  -0.942  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.178  -2.284   0.788  1.00  0.00           H  
HETATM   58  H1  UNL     1      -5.412  -3.762   1.240  1.00  0.00           H  
HETATM   59  H2  UNL     1      -4.127  -3.046   1.982  1.00  0.00           H  
HETATM   60  H3  UNL     1      -5.098  -2.164   0.984  1.00  0.00           H  
HETATM   61  HXT UNL     1      -2.340  -6.345  -0.603  1.00  0.00           H  
HETATM   62  H   UNL     1       2.202   1.907  -0.802  1.00  0.00           H  
HETATM   63  H   UNL     1       3.382   0.531  -3.807  1.00  0.00           H  
HETATM   64  H   UNL     1       1.461   1.617  -4.415  1.00  0.00           H  
HETATM   65  H   UNL     1       5.997  -1.760   3.183  1.00  0.00           H  
HETATM   66  H   UNL     1       7.444  -0.908   3.160  1.00  0.00           H  
HETATM   67  H   UNL     1       6.879   2.460   0.138  1.00  0.00           H  
CONECT    1    2   33   34   35                                       
CONECT    2    1    3   36   37                                       
CONECT    3    2   17   38   39                                       
CONECT    4   17   18   40   41                                       
CONECT    5    9   18    6   42                                       
CONECT    6    5   19   43   44                                       
CONECT    7   19   20    8   45                                       
CONECT    8    7   21   21   22                                       
CONECT    9   10    5   46   47                                       
CONECT   10   13    9   11   48                                       
CONECT   11   10   23                                                 
CONECT   12   13   24   23   49                                       
CONECT   13   25   10   12   50                                       
CONECT   14   27   27   26   51                                       
CONECT   15   27   16   16   32                                       
CONECT   16   28   15   15   29                                       
CONECT   17    3    4   52   53                                       
CONECT   18    4    5   54   55                                       
CONECT   19    6    7   56   57                                       
CONECT   20    7   58   59   60                                       
CONECT   21    8    8                                                 
CONECT   22    8   61                                                 
CONECT   23   12   26   11   62                                       
CONECT   24   12   63                                                 
CONECT   25   13   64                                                 
CONECT   26   14   32   23                                            
CONECT   27   14   14   15                                            
CONECT   28   16   65   66                                            
CONECT   29   16   30   30                                            
CONECT   30   29   29   31   67                                       
CONECT   31   32   32   30                                            
CONECT   32   15   26   31   31                                       
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   30                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
