REMARK  Name = BDB001701
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.266   0.007   0.133  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1        0.851  -0.822   0.005  0.00  0.00    +0.154 A 
ATOM      3  C   LIG    1        2.152  -0.306   0.079  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        2.324   1.059   0.293  0.00  0.00    +0.043 A 
ATOM      5 CL   LIG    1        3.910   1.714   0.393  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        1.218   1.900   0.434  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1       -0.077   1.378   0.352  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   1   8
ATOM      8  S   LIG    1       -1.896  -0.636  -0.062  0.00  0.00    +0.058 S 
ATOM      9  O   LIG    1       -1.897  -1.568  -1.162  0.00  0.00    -0.153 OA
ATOM     10  O   LIG    1       -2.435  -0.919   1.244  0.00  0.00    -0.153 OA
BRANCH   8  11
ATOM     11  N   LIG    1       -2.778   0.677  -0.640  0.00  0.00    -0.203 NA
ATOM     12  H   LIG    1       -3.125   0.457  -1.577  0.00  0.00    +0.144 HD
ATOM     13  H   LIG    1       -3.531   0.888   0.018  0.00  0.00    +0.144 HD
ENDBRANCH   8  11
ENDBRANCH   1   8
BRANCH   2  14
ATOM     14  N   LIG    1        0.716  -2.257  -0.155  0.00  0.00    +0.058 N 
ATOM     15  O   LIG    1        1.287  -2.768  -1.127  0.00  0.00    -0.126 OA
ATOM     16  O   LIG    1        0.098  -2.861   0.728  0.00  0.00    -0.126 OA
ENDBRANCH   2  14
TORSDOF 3