REMARK  Name = BDB062566
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.319  -2.264  -0.848  0.00  0.00    -0.144 OA
ATOM      2  N   LIG    1        0.562  -1.101  -0.433  0.00  0.00    -0.042 N 
ATOM      3  N   LIG    1        1.945  -0.646  -0.218  0.00  0.00    -0.204 N 
ATOM      4  C   LIG    1        1.892   0.676   0.239  0.00  0.00    +0.160 A 
ATOM      5  C   LIG    1        3.131   1.315   0.512  0.00  0.00    +0.086 A 
ATOM      6  C   LIG    1        4.276   0.634   0.322  0.00  0.00    +0.128 A 
ATOM      7  C   LIG    1        4.295  -0.740  -0.155  0.00  0.00    +0.058 A 
ATOM      8  F   LIG    1        5.462   1.222   0.575  0.00  0.00    -0.205 F 
ATOM      9  N   LIG    1        0.624   1.082   0.328  0.00  0.00    -0.205 NA
ATOM     10  C   LIG    1        3.128  -1.355  -0.416  0.00  0.00    +0.119 A 
ATOM     11  C   LIG    1       -0.185  -0.020  -0.088  0.00  0.00    +0.202 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1       -1.640   0.061  -0.119  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1       -2.257   1.262   0.273  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -3.650   1.397   0.263  0.00  0.00    +0.016 A 
ATOM     15  C   LIG    1       -4.442   0.329  -0.141  0.00  0.00    +0.018 A 
ATOM     16 BR   LIG    1       -6.323   0.504  -0.157  0.00  0.00    -0.050 Br
ATOM     17  C   LIG    1       -3.854  -0.870  -0.533  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -2.459  -1.002  -0.522  0.00  0.00    +0.013 A 
ENDBRANCH  11  12
TORSDOF 1