REMARK  Name = BDB000820
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1 CL   LIG    1       -2.403  -2.081   2.427  0.00  0.00    -0.083 Cl
ATOM      2  C   LIG    1       -2.210  -0.905   1.183  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1       -0.929  -0.593   0.718  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1       -0.741   0.359  -0.292  0.00  0.00    +0.036 A 
ATOM      5  C   LIG    1       -1.886   0.984  -0.817  0.00  0.00    +0.043 A 
ATOM      6  C   LIG    1       -3.163   0.665  -0.347  0.00  0.00    +0.044 A 
ATOM      7 CL   LIG    1       -4.537   1.455  -1.018  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -3.333  -0.280   0.655  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   4   9
ATOM      9  N   LIG    1        0.515   0.726  -0.812  0.00  0.00    -0.294 N 
ATOM     10  H   LIG    1        0.479   1.430  -1.539  0.00  0.00    +0.154 HD
BRANCH   9  11
ATOM     11  C   LIG    1        1.750   0.279  -0.481  0.00  0.00    +0.163 A 
ATOM     12  S   LIG    1        3.116   0.944  -1.322  0.00  0.00    -0.045 S 
ATOM     13  C   LIG    1        4.147  -0.042  -0.410  0.00  0.00    +0.076 A 
ATOM     14 BR   LIG    1        6.042  -0.070  -0.588  0.00  0.00    -0.041 Br
ATOM     15  C   LIG    1        3.435  -0.812   0.469  0.00  0.00    +0.136 A 
ATOM     16  N   LIG    1        2.066  -0.624   0.423  0.00  0.00    -0.232 NA
ENDBRANCH   9  11
ENDBRANCH   4   9
TORSDOF 2