REMARK  Name = BDB045847
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.439  -0.271  -0.009  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.526  -1.285  -0.067  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        1.875  -0.966  -0.248  0.00  0.00    +0.016 A 
ATOM      4  C   LIG    1        2.258   0.368  -0.364  0.00  0.00    +0.018 A 
ATOM      5 BR   LIG    1        4.081   0.803  -0.608  0.00  0.00    -0.050 Br
ATOM      6  C   LIG    1        1.308   1.387  -0.294  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1       -0.042   1.069  -0.113  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  11
ATOM      8  N   LIG    1       -2.823   0.228  -0.204  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1       -3.774  -0.118  -0.178  0.00  0.00    +0.145 HD
ATOM     10  H   LIG    1       -2.626   0.987  -0.840  0.00  0.00    +0.145 HD
ATOM     11  C   LIG    1       -1.861  -0.663   0.187  0.00  0.00    +0.242 C 
ATOM     12  O   LIG    1       -2.169  -1.754   0.647  0.00  0.00    -0.270 OA
ENDBRANCH   1  11
TORSDOF 1