REMARK  Name = BDB047875
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.605  -1.576   2.808  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        1.259  -1.019   1.773  0.00  0.00    +0.260 A 
ATOM      3  C   LIG    1        2.224  -0.597   0.748  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        1.717   0.029  -0.392  0.00  0.00    +0.120 A 
ATOM      5  C   LIG    1        2.633   0.434  -1.375  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1        4.006   0.220  -1.220  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        4.486  -0.407  -0.069  0.00  0.00    +0.004 A 
ATOM      8  N   LIG    1        0.337   0.252  -0.566  0.00  0.00    -0.225 NA
ATOM      9  C   LIG    1       -0.492  -0.130   0.353  0.00  0.00    +0.142 A 
ATOM     10  C   LIG    1        3.595  -0.819   0.920  0.00  0.00    +0.015 A 
ATOM     11  N   LIG    1       -0.059  -0.752   1.503  0.00  0.00    -0.306 N 
ATOM     12  H   LIG    1       -0.690  -1.055   2.226  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1       -1.962   0.102   0.181  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1       -2.921  -0.282   1.131  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -4.281  -0.034   0.905  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1       -4.691   0.598  -0.267  0.00  0.00    +0.018 A 
ATOM     17 BR   LIG    1       -6.527   0.928  -0.564  0.00  0.00    -0.050 Br
ATOM     18  C   LIG    1       -3.754   0.986  -1.220  0.00  0.00    +0.016 A 
ATOM     19  C   LIG    1       -2.397   0.738  -0.995  0.00  0.00    +0.012 A 
ENDBRANCH   9  13
BRANCH   5  20
ATOM     20  O   LIG    1        2.169   1.052  -2.508  0.00  0.00    -0.505 OA
ATOM     21  H   LIG    1        2.917   1.269  -3.084  0.00  0.00    +0.292 HD
ENDBRANCH   5  20
TORSDOF 2