REMARK  Name = BDB022072
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.405  -2.319  -0.618  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.076  -1.152  -0.425  0.00  0.00    +0.248 C 
ATOM      3  N   LIG    1       -1.775  -0.670  -0.557  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -0.729  -1.611  -0.953  0.00  0.00    +0.109 C 
ATOM      5  C   LIG    1        0.347  -0.935  -1.794  0.00  0.00    +0.029 C 
ATOM      6  C   LIG    1        0.975   0.274  -1.078  0.00  0.00    +0.048 C 
ATOM      7  C   LIG    1        0.100   0.824   0.059  0.00  0.00    +0.029 C 
ATOM      8  C   LIG    1       -1.379   0.713  -0.286  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        2.392   0.021  -0.616  0.00  0.00    +0.083 A 
ATOM     10  S   LIG    1        2.784  -1.262   0.462  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1        4.441  -0.801   0.418  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        4.581   0.307  -0.419  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1        5.864   0.859  -0.605  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        6.966   0.292   0.046  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        6.803  -0.812   0.875  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        5.540  -1.378   1.076  0.00  0.00    +0.017 A 
ATOM     17  N   LIG    1        3.408   0.764  -0.997  0.00  0.00    -0.244 NA
ENDBRANCH   6   9
BRANCH   2  18
ATOM     18  C   LIG    1       -4.141  -0.195  -0.083  0.00  0.00    +0.055 A 
ATOM     19  C   LIG    1       -4.554  -0.006   1.238  0.00  0.00    +0.053 A 
ATOM     20 CL   LIG    1       -3.817  -0.828   2.563  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1       -5.583   0.900   1.510  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1       -6.196   1.602   0.468  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -5.786   1.401  -0.851  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.760   0.499  -1.131  0.00  0.00    +0.014 A 
ENDBRANCH   2  18
TORSDOF 2