REMARK  Name = BDB026723
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.096   3.113  -0.591  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -0.550   1.821  -0.190  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -1.215   1.094   0.908  0.00  0.00    +0.139 C 
ATOM      4  C   LIG    1       -0.612  -0.319   1.186  0.00  0.00    +0.174 C 
ATOM      5  O   LIG    1        0.801  -0.189   1.416  0.00  0.00    -0.357 OA
ATOM      6  C   LIG    1        1.481   0.417   0.314  0.00  0.00    +0.209 C 
ATOM      7  C   LIG    1        0.856   1.726  -0.251  0.00  0.00    +0.245 C 
ATOM      8  O   LIG    1        1.543   2.596  -0.788  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   3   9
ATOM      9  C   LIG    1       -2.740   1.066   0.877  0.00  0.00    -0.024 A 
ATOM     10  C   LIG    1       -3.454   1.305   2.065  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -4.851   1.256   2.087  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -5.550   0.962   0.921  0.00  0.00    +0.018 A 
ATOM     13 BR   LIG    1       -7.438   0.894   0.948  0.00  0.00    -0.050 Br
ATOM     14  C   LIG    1       -4.865   0.719  -0.266  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1       -3.469   0.769  -0.286  0.00  0.00    +0.006 A 
ENDBRANCH   3   9
BRANCH   4  16
ATOM     16  C   LIG    1       -0.886  -1.486   0.246  0.00  0.00    -0.017 A 
ATOM     17  C   LIG    1       -0.945  -1.359  -1.151  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1       -1.179  -2.471  -1.966  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1       -1.347  -3.728  -1.394  0.00  0.00    +0.018 A 
ATOM     20 BR   LIG    1       -1.664  -5.229  -2.496  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1       -1.276  -3.885  -0.014  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1       -1.040  -2.772   0.798  0.00  0.00    +0.007 A 
ENDBRANCH   4  16
BRANCH   6  23
ATOM     23  C   LIG    1        2.941   0.651   0.753  0.00  0.00    +0.076 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.943   0.205  -0.289  0.00  0.00    -0.044 A 
ATOM     25  C   LIG    1        4.459   1.117  -1.220  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        5.367   0.696  -2.193  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1        5.759  -0.640  -2.242  0.00  0.00    +0.018 A 
ATOM     28 BR   LIG    1        6.987  -1.211  -3.562  0.00  0.00    -0.050 Br
ATOM     29  C   LIG    1        5.250  -1.560  -1.327  0.00  0.00    +0.015 A 
ATOM     30  C   LIG    1        4.342  -1.138  -0.354  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 4