COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.994  -0.519  -0.340  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.006  -1.537   0.354  1.00  0.00           C  
HETATM    3  C   UNL     1       0.700  -2.514  -0.610  1.00  0.00           C  
HETATM    4  N   UNL     1       3.165   0.056   0.328  1.00  0.00           N  
HETATM    5  C   UNL     1      -6.944   2.591  -1.696  1.00  0.00           C  
HETATM    6  N   UNL     1       6.723   1.561  -0.884  1.00  0.00           N  
HETATM    7  C   UNL     1      -4.844   0.199   0.432  1.00  0.00           C  
HETATM    8  O   UNL     1      -4.885   0.230   1.639  1.00  0.00           O  
HETATM    9  C   UNL     1      -6.021   0.681  -0.376  1.00  0.00           C  
HETATM   10  N   UNL     1      -7.225   0.681   0.466  1.00  0.00           N  
HETATM   11  C   UNL     1      -5.749   2.101  -0.876  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.495   2.101  -1.753  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.749  -0.267  -0.190  1.00  0.00           O  
HETATM   14  P   UNL     1      -2.534  -0.763   0.742  1.00  0.00           P  
HETATM   15  O   UNL     1      -3.001  -2.049   1.591  1.00  0.00           O  
HETATM   16  O   UNL     1      -2.146   0.324   1.668  1.00  0.00           O  
HETATM   17  O   UNL     1      -1.276  -1.157  -0.181  1.00  0.00           O  
HETATM   18  O   UNL     1       0.830  -0.382   0.489  1.00  0.00           O  
HETATM   19  C   UNL     1       2.179  -2.046  -0.528  1.00  0.00           C  
HETATM   20  O   UNL     1       2.878  -2.335  -1.741  1.00  0.00           O  
HETATM   21  O   UNL     1       0.194  -2.371  -1.939  1.00  0.00           O  
HETATM   22  C   UNL     1       3.324   0.227   1.671  1.00  0.00           C  
HETATM   23  N   UNL     1       4.483   0.765   1.916  1.00  0.00           N  
HETATM   24  C   UNL     1       5.140   0.973   0.750  1.00  0.00           C  
HETATM   25  C   UNL     1       4.304   0.515  -0.283  1.00  0.00           C  
HETATM   26  C   UNL     1       6.392   1.508   0.402  1.00  0.00           C  
HETATM   27  N   UNL     1       7.260   1.969   1.377  1.00  0.00           N  
HETATM   28  C   UNL     1       5.907   1.108  -1.819  1.00  0.00           C  
HETATM   29  N   UNL     1       4.724   0.603  -1.541  1.00  0.00           N  
HETATM   30  H   UNL     1       1.833  -0.034  -1.303  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.142  -2.011   1.327  1.00  0.00           H  
HETATM   32  H   UNL     1       0.599  -3.542  -0.264  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.838   2.591  -1.071  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.750   3.603  -2.052  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.097   1.929  -2.548  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.174   0.019  -1.228  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.109   1.288   1.263  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.041   0.939  -0.069  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.597   2.764  -0.024  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.301   3.113  -2.109  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.643   1.752  -1.169  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.647   1.439  -2.605  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.270  -2.803   1.048  1.00  0.00           H  
HETATM   44  H   UNL     1       2.684  -2.490   0.330  1.00  0.00           H  
HETATM   45  H   UNL     1       2.923  -3.277  -1.954  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.726  -2.650  -2.042  1.00  0.00           H  
HETATM   47  H   UNL     1       2.595  -0.043   2.421  1.00  0.00           H  
HETATM   48  H   UNL     1       8.121   2.336   1.124  1.00  0.00           H  
HETATM   49  H   UNL     1       7.006   1.925   2.312  1.00  0.00           H  
HETATM   50  H   UNL     1       6.216   1.171  -2.852  1.00  0.00           H  
CONECT    1   19   18    4   30                                       
CONECT    2    3   17   18   31                                       
CONECT    3   21   19    2   32                                       
CONECT    4    1   25   22                                            
CONECT    5   11   33   34   35                                       
CONECT    6   28   28   26                                            
CONECT    7   13    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   11   36                                       
CONECT   10    9   37   38                                            
CONECT   11    9   12    5   39                                       
CONECT   12   11   40   41   42                                       
CONECT   13   14    7                                                 
CONECT   14   16   16   17   15                                       
CONECT   14   13                                                      
CONECT   15   14   43                                                 
CONECT   16   14   14                                                 
CONECT   17    2   14                                                 
CONECT   18    2    1                                                 
CONECT   19   20    3    1   44                                       
CONECT   20   19   45                                                 
CONECT   21    3   46                                                 
CONECT   22    4   23   23   47                                       
CONECT   23   22   22   24                                            
CONECT   24   25   23   26   26                                       
CONECT   25   29   29    4   24                                       
CONECT   26   24   24    6   27                                       
CONECT   27   26   48   49                                            
CONECT   28   29    6    6   50                                       
CONECT   29   25   25   28                                            
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   15                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
