REMARK  Name = BDB022084
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.399   2.650  -0.659  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.082   1.472  -0.521  0.00  0.00    +0.247 C 
ATOM      3  N   LIG    1       -1.799   0.973  -0.756  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.432  -0.442  -0.665  0.00  0.00    +0.109 C 
ATOM      5  C   LIG    1       -0.013  -0.630  -0.137  0.00  0.00    +0.029 C 
ATOM      6  C   LIG    1        0.985   0.214  -0.936  0.00  0.00    +0.048 C 
ATOM      7  C   LIG    1        0.566   1.688  -0.923  0.00  0.00    +0.029 C 
ATOM      8  C   LIG    1       -0.854   1.845  -1.452  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        2.407   0.009  -0.477  0.00  0.00    +0.083 A 
ATOM     10  S   LIG    1        2.934   0.455   1.098  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1        4.521  -0.102   0.734  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        4.539  -0.596  -0.572  0.00  0.00    +0.080 A 
ATOM     13  C   LIG    1        5.743  -1.111  -1.091  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1        6.886  -1.114  -0.289  0.00  0.00    +0.043 A 
ATOM     15  C   LIG    1        6.852  -0.618   1.010  0.00  0.00    +0.021 A 
ATOM     16 CL   LIG    1        8.360  -1.742  -0.919  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1        5.667  -0.102   1.545  0.00  0.00    +0.018 A 
ATOM     18  N   LIG    1        3.331  -0.528  -1.246  0.00  0.00    -0.244 NA
ENDBRANCH   6   9
BRANCH   2  19
ATOM     19  C   LIG    1       -4.134   0.544  -0.068  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1       -4.686  -0.376  -0.964  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -5.690  -1.230  -0.517  0.00  0.00    +0.019 A 
ATOM     22 BR   LIG    1       -6.439  -2.495  -1.706  0.00  0.00    -0.050 Br
ATOM     23  C   LIG    1       -6.150  -1.162   0.800  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1       -5.607  -0.224   1.681  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -4.600   0.637   1.247  0.00  0.00    +0.013 A 
ENDBRANCH   2  19
TORSDOF 2