REMARK  Name = BDB000819
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1 CL   LIG    1       -5.086   0.326   0.488  0.00  0.00    -0.082 Cl
ATOM      2  C   LIG    1       -3.406   0.084   0.170  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1       -2.444   1.068   0.408  0.00  0.00    +0.061 A 
ATOM      4 CL   LIG    1       -2.852   2.625   1.038  0.00  0.00    -0.082 Cl
ATOM      5  C   LIG    1       -1.093   0.812   0.131  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1       -0.681  -0.419  -0.392  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1       -1.663  -1.396  -0.622  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -3.012  -1.150  -0.347  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   6   9
ATOM      9  N   LIG    1        0.658  -0.760  -0.653  0.00  0.00    -0.294 N 
ATOM     10  H   LIG    1        0.771  -1.322  -1.491  0.00  0.00    +0.154 HD
BRANCH   9  11
ATOM     11  C   LIG    1        1.816  -0.224  -0.200  0.00  0.00    +0.163 A 
ATOM     12  S   LIG    1        2.031   0.523   1.349  0.00  0.00    -0.045 S 
ATOM     13  C   LIG    1        3.671   0.757   1.004  0.00  0.00    +0.076 A 
ATOM     14 BR   LIG    1        4.907   1.605   2.177  0.00  0.00    -0.041 Br
ATOM     15  C   LIG    1        3.988   0.244  -0.226  0.00  0.00    +0.136 A 
ATOM     16  N   LIG    1        2.927  -0.332  -0.901  0.00  0.00    -0.232 NA
ENDBRANCH   9  11
ENDBRANCH   6   9
TORSDOF 2