REMARK  Name = BDB060663
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.521   0.224  -1.058  0.00  0.00    +0.213 C 
ATOM      2  O   LIG    1        0.275   0.300  -2.263  0.00  0.00    -0.285 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.547   0.299  -0.056  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -1.956   0.119  -0.300  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1       -2.626   0.284   0.913  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -4.016   0.167   1.038  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -4.750  -0.127  -0.114  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -4.116  -0.298  -1.341  0.00  0.00    +0.001 A 
ATOM      9  N   LIG    1       -1.675   0.565   1.862  0.00  0.00    -0.360 N 
ATOM     10  H   LIG    1       -1.873   0.734   2.839  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1       -2.725  -0.178  -1.447  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -0.431   0.596   1.292  0.00  0.00    +0.095 A 
ENDBRANCH   1   3
BRANCH   1  15
ATOM     13  C   LIG    1        3.539  -0.572   0.917  0.00  0.00    +0.141 A 
ATOM     14  N   LIG    1        2.235  -0.395   0.596  0.00  0.00    -0.233 NA
ATOM     15  C   LIG    1        1.955   0.051  -0.655  0.00  0.00    +0.112 A 
ATOM     16  C   LIG    1        2.950   0.312  -1.597  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        4.283   0.122  -1.241  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        4.587  -0.327   0.039  0.00  0.00    +0.039 A 
BRANCH  13  20
ATOM     19  N   LIG    1        4.043  -1.395   3.330  0.00  0.00    -0.189 NA
ATOM     20  C   LIG    1        3.798  -1.032   2.254  0.00  0.00    +0.119 C 
ENDBRANCH  13  20
ENDBRANCH   1  15
TORSDOF 3