REMARK  Name = BDB000698
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.713  -0.034   0.205  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        1.984   1.278   0.833  0.00  0.00    +0.350 A 
ATOM      3  O   LIG    1        1.075   2.029   1.176  0.00  0.00    -0.244 OA
ATOM      4  O   LIG    1        3.313   1.635   1.023  0.00  0.00    -0.421 OA
ATOM      5  C   LIG    1        4.382   0.800   0.643  0.00  0.00    +0.153 A 
ATOM      6  C   LIG    1        4.116  -0.433   0.053  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1        5.182  -1.254  -0.321  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1        6.495  -0.831  -0.099  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1        6.758   0.405   0.492  0.00  0.00    +0.039 A 
ATOM     10 CL   LIG    1        7.804  -1.847  -0.562  0.00  0.00    -0.083 Cl
ATOM     11  C   LIG    1        5.694   1.225   0.866  0.00  0.00    +0.062 A 
ATOM     12 BR   LIG    1        6.072   2.899   1.667  0.00  0.00    -0.046 Br
ATOM     13  C   LIG    1        2.733  -0.831  -0.158  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  16
ATOM     14  N   LIG    1       -0.694   0.300   0.327  0.00  0.00    -0.281 N 
ATOM     15  H   LIG    1       -0.420   1.186   0.754  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1        0.323  -0.546  -0.060  0.00  0.00    +0.255 C 
ATOM     17  O   LIG    1        0.174  -1.647  -0.586  0.00  0.00    -0.270 OA
BRANCH  14  21
ATOM     18  C   LIG    1       -4.686  -2.371  -1.056  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -4.071  -1.159  -0.420  0.00  0.00    -0.048 A 
ATOM     20  C   LIG    1       -2.675  -1.037  -0.342  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -2.086   0.101   0.212  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1       -2.913   1.128   0.687  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1       -4.310   1.025   0.619  0.00  0.00    -0.048 A 
ATOM     24  C   LIG    1       -5.178   2.152   1.094  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1       -4.880  -0.117   0.046  0.00  0.00    +0.006 A 
ENDBRANCH  14  21
ENDBRANCH   1  16
TORSDOF 2