COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.635  -1.935  -0.981  1.00  0.00           O  
HETATM    2  C   UNL     1       2.239  -1.025  -0.275  1.00  0.00           C  
HETATM    3  N   UNL     1       3.111  -0.117   0.206  1.00  0.00           N  
HETATM    4  N   UNL     1       2.663   0.929   1.026  1.00  0.00           N  
HETATM    5  C   UNL     1       3.266   2.081   0.996  1.00  0.00           C  
HETATM    6  C   UNL     1       4.420   2.275   0.099  1.00  0.00           C  
HETATM    7  C   UNL     1       4.886   3.555  -0.200  1.00  0.00           C  
HETATM    8  C   UNL     1       5.967   3.708  -1.044  1.00  0.00           C  
HETATM    9  C   UNL     1       6.586   2.599  -1.593  1.00  0.00           C  
HETATM   10  C   UNL     1       6.129   1.325  -1.300  1.00  0.00           C  
HETATM   11  C   UNL     1       5.052   1.158  -0.458  1.00  0.00           C  
HETATM   12  C   UNL     1       4.540  -0.219  -0.118  1.00  0.00           C  
HETATM   13  C   UNL     1       5.293  -0.754   1.072  1.00  0.00           C  
HETATM   14  C   UNL     1       5.881  -1.922   1.005  1.00  0.00           C  
HETATM   15  C   UNL     1       5.698  -2.789  -0.214  1.00  0.00           C  
HETATM   16  C   UNL     1       6.741  -2.400   2.147  1.00  0.00           C  
HETATM   17  C   UNL     1       0.817  -0.915   0.047  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.057  -1.821  -0.439  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.486  -1.710  -0.116  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.398  -2.650  -0.619  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.965  -3.667  -1.408  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.581  -4.877  -0.753  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.748  -2.534  -0.305  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.639  -3.441  -0.789  1.00  0.00           O  
HETATM   25  C   UNL     1      -6.009  -3.261  -0.426  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.186  -1.495   0.500  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.286  -0.567   0.997  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.775   0.555   1.877  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.129   1.745   1.023  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.215   2.758   0.810  1.00  0.00           C  
HETATM   31  N   UNL     1      -3.556   3.792   0.054  1.00  0.00           N  
HETATM   32  C   UNL     1      -4.759   3.864  -0.497  1.00  0.00           C  
HETATM   33  N   UNL     1      -5.077   4.960  -1.280  1.00  0.00           N  
HETATM   34  N   UNL     1      -5.664   2.913  -0.318  1.00  0.00           N  
HETATM   35  C   UNL     1      -5.387   1.846   0.424  1.00  0.00           C  
HETATM   36  N   UNL     1      -6.335   0.853   0.609  1.00  0.00           N  
HETATM   37  C   UNL     1      -1.945  -0.670   0.701  1.00  0.00           C  
HETATM   38  H   UNL     1       2.923   2.890   1.623  1.00  0.00           H  
HETATM   39  H   UNL     1       4.403   4.422   0.227  1.00  0.00           H  
HETATM   40  H   UNL     1       6.331   4.698  -1.278  1.00  0.00           H  
HETATM   41  H   UNL     1       7.431   2.728  -2.253  1.00  0.00           H  
HETATM   42  H   UNL     1       6.616   0.463  -1.731  1.00  0.00           H  
HETATM   43  H   UNL     1       4.676  -0.885  -0.970  1.00  0.00           H  
HETATM   44  H   UNL     1       5.348  -0.173   1.982  1.00  0.00           H  
HETATM   45  H   UNL     1       6.428  -2.509  -0.973  1.00  0.00           H  
HETATM   46  H   UNL     1       5.840  -3.835   0.059  1.00  0.00           H  
HETATM   47  H   UNL     1       4.692  -2.651  -0.610  1.00  0.00           H  
HETATM   48  H   UNL     1       6.755  -1.645   2.932  1.00  0.00           H  
HETATM   49  H   UNL     1       6.334  -3.330   2.543  1.00  0.00           H  
HETATM   50  H   UNL     1       7.757  -2.571   1.789  1.00  0.00           H  
HETATM   51  H   UNL     1       0.467  -0.108   0.674  1.00  0.00           H  
HETATM   52  H   UNL     1       0.294  -2.628  -1.066  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.763  -4.673  -0.062  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.431  -5.277  -0.200  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.257  -5.605  -1.496  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.107  -3.305   0.658  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.355  -2.292  -0.784  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.610  -4.051  -0.877  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.235  -1.409   0.742  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.657   0.227   2.426  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.991   0.833   2.581  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.232   2.709   1.255  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.424   5.663  -1.419  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.954   5.025  -1.689  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.209   0.934   0.196  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.125   0.077   1.152  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.248   0.057   1.092  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3   17    1    1                                       
CONECT    3    4   12    2                                            
CONECT    4    5    5    3                                            
CONECT    5    4    4    6   38                                       
CONECT    6    5    7    7   11                                       
CONECT    7    6    6    8   39                                       
CONECT    8    7    9    9   40                                       
CONECT    9    8    8   10   41                                       
CONECT   10   11   11    9   42                                       
CONECT   11    6   12   10   10                                       
CONECT   12   13    3   11   43                                       
CONECT   13   14   14   12   44                                       
CONECT   14   16   13   13   15                                       
CONECT   15   14   45   46   47                                       
CONECT   16   14   48   49   50                                       
CONECT   17   18   18    2   51                                       
CONECT   18   19   17   17   52                                       
CONECT   19   37   18   20   20                                       
CONECT   20   19   19   23   21                                       
CONECT   21   20   22                                                 
CONECT   22   21   53   54   55                                       
CONECT   23   26   26   20   24                                       
CONECT   24   25   23                                                 
CONECT   25   24   56   57   58                                       
CONECT   26   27   23   23   59                                       
CONECT   27   28   37   37   26                                       
CONECT   28   29   27   60   61                                       
CONECT   29   35   28   30   30                                       
CONECT   30   29   29   31   62                                       
CONECT   31   32   32   30                                            
CONECT   32   34   33   31   31                                       
CONECT   33   32   63   64                                            
CONECT   34   35   35   32                                            
CONECT   35   36   34   34   29                                       
CONECT   36   35   65   66                                            
CONECT   37   27   27   19   67                                       
CONECT   38    5                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   30                                                      
CONECT   63   33                                                      
CONECT   64   33                                                      
CONECT   65   36                                                      
CONECT   66   36                                                      
CONECT   67   37                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
