REMARK  Name = BDB006800
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.907   0.034  -0.059  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -0.735  -0.862   0.075  0.00  0.00    +0.104 C 
ATOM      3  C   LIG    1        0.517  -0.318  -0.644  0.00  0.00    +0.123 C 
ATOM      4  N   LIG    1        0.848   1.048  -0.228  0.00  0.00    -0.295 N 
ATOM      5  C   LIG    1        2.106   1.611  -0.451  0.00  0.00    +0.247 C 
ATOM      6  O   LIG    1        2.290   2.811  -0.645  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -0.292   1.959  -0.264  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1       -1.535   1.379   0.440  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        3.296   0.733  -0.423  0.00  0.00    +0.038 A 
ATOM     10  C   LIG    1        3.534  -0.102   0.674  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        4.678  -0.897   0.685  0.00  0.00    +0.019 A 
ATOM     12 BR   LIG    1        5.002  -2.046   2.151  0.00  0.00    -0.050 Br
ATOM     13  C   LIG    1        5.587  -0.852  -0.373  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        5.358   0.004  -1.452  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        4.215   0.803  -1.475  0.00  0.00    +0.013 A 
ENDBRANCH   5   9
BRANCH   1  17
ATOM     16  C   LIG    1       -3.532  -1.851  -0.180  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1       -3.175  -0.511   0.508  0.00  0.00    +0.014 C 
ATOM     18  C   LIG    1       -3.127  -0.749   2.032  0.00  0.00    +0.027 C 
ATOM     19  C   LIG    1       -4.350   0.451   0.205  0.00  0.00    +0.027 C 
ENDBRANCH   1  17
TORSDOF 2