REMARK  Name = BDB062560
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.571  -0.199  -2.399  0.00  0.00    -0.144 OA
ATOM      2  N   LIG    1       -0.679  -0.045  -1.155  0.00  0.00    -0.042 N 
ATOM      3  N   LIG    1       -1.992   0.175  -0.532  0.00  0.00    -0.201 N 
ATOM      4  C   LIG    1       -1.791   0.309   0.848  0.00  0.00    +0.158 A 
ATOM      5  C   LIG    1       -2.943   0.532   1.651  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -4.155   0.604   1.064  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -4.309   0.458  -0.373  0.00  0.00    +0.142 A 
ATOM      8  F   LIG    1       -5.544   0.539  -0.901  0.00  0.00    -0.204 F 
ATOM      9  N   LIG    1       -0.494   0.194   1.137  0.00  0.00    -0.205 NA
ATOM     10  C   LIG    1       -3.236   0.247  -1.147  0.00  0.00    +0.154 A 
ATOM     11  C   LIG    1        0.181  -0.024  -0.103  0.00  0.00    +0.202 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1        1.626  -0.197  -0.174  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        2.371  -0.147   1.016  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        3.760  -0.306   1.009  0.00  0.00    +0.016 A 
ATOM     15  C   LIG    1        4.422  -0.519  -0.195  0.00  0.00    +0.018 A 
ATOM     16 BR   LIG    1        6.299  -0.735  -0.214  0.00  0.00    -0.050 Br
ATOM     17  C   LIG    1        3.706  -0.572  -1.388  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        2.314  -0.412  -1.376  0.00  0.00    +0.013 A 
ENDBRANCH  11  12
TORSDOF 1