COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.026  -0.135   0.615  1.00  0.00           C  
HETATM    2  C   UNL     1       4.860  -0.822   1.699  1.00  0.00           C  
HETATM    3  N   UNL     1       6.063  -1.408   1.094  1.00  0.00           N  
HETATM    4  C   UNL     1       5.713  -2.432   0.101  1.00  0.00           C  
HETATM    5  C   UNL     1       4.905  -1.793  -1.030  1.00  0.00           C  
HETATM    6  C   UNL     1       3.635  -1.162  -0.451  1.00  0.00           C  
HETATM    7  C   UNL     1       2.853  -0.469  -1.568  1.00  0.00           C  
HETATM    8  N   UNL     1       1.582   0.031  -1.038  1.00  0.00           N  
HETATM    9  N   UNL     1       0.382  -0.687  -1.005  1.00  0.00           N  
HETATM   10  C   UNL     1       1.387   1.266  -0.494  1.00  0.00           C  
HETATM   11  N   UNL     1       2.168   2.324  -0.276  1.00  0.00           N  
HETATM   12  C   UNL     1       1.684   3.411   0.284  1.00  0.00           C  
HETATM   13  N   UNL     1       0.421   3.519   0.658  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.435   2.518   0.482  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.755   2.637   0.874  1.00  0.00           N  
HETATM   16  C   UNL     1       0.034   1.335  -0.113  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.562   0.047  -0.467  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.973  -0.355  -0.254  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.006   0.526  -0.571  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.318   0.149  -0.373  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.435   1.101  -0.716  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.610  -1.106   0.142  1.00  0.00           C  
HETATM   23  O   UNL     1      -5.903  -1.475   0.337  1.00  0.00           O  
HETATM   24  C   UNL     1      -6.132  -2.781   0.870  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.584  -1.986   0.459  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.270  -1.617   0.258  1.00  0.00           C  
HETATM   27  H   UNL     1       3.125   0.286   1.062  1.00  0.00           H  
HETATM   28  H   UNL     1       4.611   0.662   0.156  1.00  0.00           H  
HETATM   29  H   UNL     1       5.152  -0.090   2.452  1.00  0.00           H  
HETATM   30  H   UNL     1       4.269  -1.610   2.167  1.00  0.00           H  
HETATM   31  H   UNL     1       6.676  -1.785   1.801  1.00  0.00           H  
HETATM   32  H   UNL     1       6.625  -2.869  -0.306  1.00  0.00           H  
HETATM   33  H   UNL     1       5.118  -3.212   0.577  1.00  0.00           H  
HETATM   34  H   UNL     1       5.504  -1.023  -1.515  1.00  0.00           H  
HETATM   35  H   UNL     1       4.632  -2.556  -1.759  1.00  0.00           H  
HETATM   36  H   UNL     1       3.017  -1.938   0.001  1.00  0.00           H  
HETATM   37  H   UNL     1       3.438   0.365  -1.957  1.00  0.00           H  
HETATM   38  H   UNL     1       2.658  -1.180  -2.370  1.00  0.00           H  
HETATM   39  H   UNL     1       2.345   4.249   0.445  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.129   3.513   1.056  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.306   1.845   0.968  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.779   1.503  -0.972  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.738   0.947  -1.751  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.284   0.917  -0.057  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.090   2.127  -0.587  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.205  -2.947   0.975  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.713  -3.527   0.195  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.654  -2.864   1.846  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.814  -2.963   0.859  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.473  -2.302   0.504  1.00  0.00           H  
CONECT    1    2    6   27   28                                       
CONECT    2    3    1   29   30                                       
CONECT    3    4    2   31                                            
CONECT    4    3    5   32   33                                       
CONECT    5    4    6   34   35                                       
CONECT    6    5    1    7   36                                       
CONECT    7    6    8   37   38                                       
CONECT    8    7   10    9                                            
CONECT    9    8   17   17                                            
CONECT   10   11    8   16   16                                       
CONECT   11   12   12   10                                            
CONECT   12   11   11   13   39                                       
CONECT   13   12   14   14                                            
CONECT   14   13   13   16   15                                       
CONECT   15   14   40   41                                            
CONECT   16   10   10   14   17                                       
CONECT   17    9    9   16   18                                       
CONECT   18   26   17   19   19                                       
CONECT   19   18   18   20   42                                       
CONECT   20   22   22   19   21                                       
CONECT   21   20   43   44   45                                       
CONECT   22   25   23   20   20                                       
CONECT   23   24   22                                                 
CONECT   24   23   46   47   48                                       
CONECT   25   26   26   22   49                                       
CONECT   26   25   25   18   50                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39   12                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   19                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
