REMARK  Name = BDB026726
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.421   3.207   1.974  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -1.494   2.220   1.445  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -2.052   0.964   0.912  0.00  0.00    +0.139 C 
ATOM      4  C   LIG    1       -0.950  -0.129   0.818  0.00  0.00    +0.174 C 
ATOM      5  O   LIG    1        0.141   0.338   0.015  0.00  0.00    -0.357 OA
ATOM      6  C   LIG    1        0.744   1.520   0.543  0.00  0.00    +0.209 C 
ATOM      7  C   LIG    1       -0.187   2.600   1.161  0.00  0.00    +0.245 C 
ATOM      8  O   LIG    1        0.246   3.724   1.423  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   3   9
ATOM      9  C   LIG    1       -2.835   1.190  -0.381  0.00  0.00    -0.024 A 
ATOM     10  C   LIG    1       -2.282   1.855  -1.488  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -3.022   2.031  -2.660  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -4.324   1.544  -2.737  0.00  0.00    +0.018 A 
ATOM     13 BR   LIG    1       -5.323   1.781  -4.324  0.00  0.00    -0.050 Br
ATOM     14  C   LIG    1       -4.891   0.878  -1.655  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1       -4.150   0.703  -0.483  0.00  0.00    +0.006 A 
ENDBRANCH   3   9
BRANCH   4  16
ATOM     16  C   LIG    1       -1.448  -1.471   0.312  0.00  0.00    -0.017 A 
ATOM     17  C   LIG    1       -1.333  -1.837  -1.039  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1       -1.826  -3.063  -1.492  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1       -2.435  -3.936  -0.595  0.00  0.00    +0.018 A 
ATOM     20 BR   LIG    1       -3.104  -5.595  -1.205  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1       -2.557  -3.594   0.750  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1       -2.067  -2.366   1.201  0.00  0.00    +0.007 A 
ENDBRANCH   4  16
BRANCH   6  23
ATOM     23  C   LIG    1        1.836   1.167   1.572  0.00  0.00    +0.076 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.046   0.515   0.941  0.00  0.00    -0.044 A 
ATOM     25  C   LIG    1        4.179   1.273   0.631  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        5.290   0.668   0.036  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        5.289  -0.697  -0.263  0.00  0.00    +0.130 A 
ATOM     28  C   LIG    1        4.157  -1.454   0.039  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1        3.044  -0.851   0.635  0.00  0.00    +0.007 A 
BRANCH  27  30
ATOM     30  O   LIG    1        6.439  -1.149  -0.842  0.00  0.00    -0.406 OA
BRANCH  30  31
ATOM     31  C   LIG    1        6.531  -2.534  -1.131  0.00  0.00    +0.575 C 
ATOM     32  F   LIG    1        5.588  -2.912  -2.019  0.00  0.00    -0.133 F 
ATOM     33  F   LIG    1        7.742  -2.781  -1.678  0.00  0.00    -0.133 F 
ATOM     34  F   LIG    1        6.420  -3.276  -0.009  0.00  0.00    -0.133 F 
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 6