REMARK  Name = BDB062563
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.016   0.359  -2.201  0.00  0.00    -0.144 OA
ATOM      2  N   LIG    1        0.044   0.153  -0.961  0.00  0.00    -0.042 N 
ATOM      3  N   LIG    1        1.339  -0.044  -0.288  0.00  0.00    -0.204 N 
ATOM      4  C   LIG    1        1.083  -0.247   1.070  0.00  0.00    +0.158 A 
ATOM      5  C   LIG    1        2.207  -0.460   1.910  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        3.446  -0.457   1.378  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1        3.685  -0.240  -0.058  0.00  0.00    +0.073 A 
ATOM      8  N   LIG    1       -0.229  -0.197   1.308  0.00  0.00    -0.205 NA
ATOM      9  C   LIG    1        2.611  -0.038  -0.852  0.00  0.00    +0.128 A 
ATOM     10  C   LIG    1       -0.858   0.050   0.049  0.00  0.00    +0.202 A 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1       -2.305   0.169  -0.078  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1       -2.950   0.411  -1.299  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1       -4.345   0.516  -1.365  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1       -5.109   0.380  -0.210  0.00  0.00    +0.018 A 
ATOM     15 BR   LIG    1       -6.990   0.522  -0.302  0.00  0.00    -0.050 Br
ATOM     16  C   LIG    1       -4.491   0.139   1.013  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1       -3.098   0.035   1.075  0.00  0.00    +0.013 A 
ENDBRANCH  10  11
BRANCH   7  18
ATOM     18  C   LIG    1        5.107  -0.257  -0.546  0.00  0.00    +0.419 C 
ATOM     19  F   LIG    1        5.200  -0.045  -1.884  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        5.854   0.702   0.058  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        5.709  -1.446  -0.292  0.00  0.00    -0.166 F 
ENDBRANCH   7  18
TORSDOF 2