REMARK  Name = BDB026724
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.148   3.115  -0.267  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -0.590   1.793  -0.001  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -1.295   0.920   0.957  0.00  0.00    +0.139 C 
ATOM      4  C   LIG    1       -0.670  -0.504   1.089  0.00  0.00    +0.174 C 
ATOM      5  O   LIG    1        0.724  -0.377   1.416  0.00  0.00    -0.357 OA
ATOM      6  C   LIG    1        1.447   0.378   0.441  0.00  0.00    +0.209 C 
ATOM      7  C   LIG    1        0.819   1.736   0.010  0.00  0.00    +0.245 C 
ATOM      8  O   LIG    1        1.511   2.680  -0.373  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   3   9
ATOM      9  C   LIG    1       -2.815   0.865   0.833  0.00  0.00    -0.024 A 
ATOM     10  C   LIG    1       -3.600   0.937   1.998  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -4.994   0.858   1.932  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -5.619   0.701   0.698  0.00  0.00    +0.018 A 
ATOM     13 BR   LIG    1       -7.503   0.592   0.606  0.00  0.00    -0.050 Br
ATOM     14  C   LIG    1       -4.863   0.624  -0.468  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1       -3.470   0.705  -0.399  0.00  0.00    +0.006 A 
ENDBRANCH   3   9
BRANCH   4  16
ATOM     16  C   LIG    1       -0.860  -1.548  -0.005  0.00  0.00    -0.017 A 
ATOM     17  C   LIG    1       -0.844  -1.246  -1.376  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1       -1.003  -2.249  -2.337  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1       -1.168  -3.572  -1.938  0.00  0.00    +0.018 A 
ATOM     20 BR   LIG    1       -1.382  -4.926  -3.238  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1       -1.169  -3.901  -0.587  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1       -1.010  -2.897   0.370  0.00  0.00    +0.007 A 
ENDBRANCH   4  16
BRANCH   6  23
ATOM     23  C   LIG    1        2.873   0.584   0.992  0.00  0.00    +0.076 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.945   0.301  -0.038  0.00  0.00    -0.044 A 
ATOM     25  C   LIG    1        4.489   1.340  -0.807  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        5.462   1.069  -1.769  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        5.889  -0.239  -1.964  0.00  0.00    +0.123 A 
ATOM     28  F   LIG    1        6.823  -0.498  -2.888  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1        5.359  -1.283  -1.216  0.00  0.00    +0.038 A 
ATOM     30  C   LIG    1        4.385  -1.015  -0.253  0.00  0.00    +0.006 A 
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 4