REMARK  Name = BDB021999
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.760   0.225  -0.517  0.00  0.00    +0.078 C 
ATOM      2  C   LIG    1       -0.616  -1.221  -0.028  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1        0.599  -1.901  -0.650  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1        1.818  -1.122  -0.466  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1        3.021  -1.836  -0.547  0.00  0.00    +0.247 C 
ATOM      6  O   LIG    1        3.080  -3.034  -0.811  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        1.735   0.278  -0.890  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1        0.546   0.987  -0.256  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.293  -1.130  -0.266  0.00  0.00    +0.038 A 
ATOM     10  C   LIG    1        4.429  -0.337   0.879  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        5.648   0.286   1.133  0.00  0.00    +0.042 A 
ATOM     12 CL   LIG    1        5.822   1.279   2.527  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        6.730   0.113   0.268  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        6.598  -0.701  -0.859  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        5.381  -1.330  -1.123  0.00  0.00    +0.013 A 
ENDBRANCH   5   9
BRANCH   1  17
ATOM     16  O   LIG    1       -1.783   1.854   0.936  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -1.944   0.917   0.163  0.00  0.00    +0.220 C 
ATOM     18  N   LIG    1       -3.162   0.370  -0.213  0.00  0.00    -0.285 N 
ATOM     19  H   LIG    1       -3.136  -0.370  -0.902  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -4.448   0.745   0.232  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -4.691   1.744   1.176  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -6.003   2.043   1.555  0.00  0.00    +0.020 A 
ATOM     23 BR   LIG    1       -6.323   3.399   2.836  0.00  0.00    -0.050 Br
ATOM     24  C   LIG    1       -7.081   1.356   1.003  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -6.846   0.357   0.062  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -5.537   0.054  -0.321  0.00  0.00    +0.023 A 
ENDBRANCH  18  20
ENDBRANCH   1  17
TORSDOF 3