REMARK  Name = BDB028810
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.662  -1.018   0.780  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.616  -0.495   0.410  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -2.608  -1.238  -0.149  0.00  0.00    -0.255 N 
ATOM      4  H   LIG    1       -2.785  -2.233  -0.198  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1       -1.289  -0.871  -0.278  0.00  0.00    +0.233 C 
ATOM      6  O   LIG    1       -0.431  -1.744  -0.395  0.00  0.00    -0.274 OA
ATOM      7  C   LIG    1       -0.979   0.621  -0.145  0.00  0.00    +0.138 C 
ATOM      8  C   LIG    1       -2.249   1.455  -0.328  0.00  0.00    +0.033 C 
ATOM      9  C   LIG    1       -3.324   0.968   0.631  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   7  10
ATOM     10  S   LIG    1        0.225   1.174  -1.417  0.00  0.00    -0.111 S 
BRANCH  10  11
ATOM     11  C   LIG    1        1.722   0.349  -0.870  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        2.395  -0.602  -1.659  0.00  0.00    +0.054 A 
ATOM     13 CL   LIG    1        1.835  -1.074  -3.228  0.00  0.00    -0.082 Cl
ATOM     14  C   LIG    1        3.566  -1.209  -1.190  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        4.083  -0.868   0.060  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1        3.431   0.087   0.835  0.00  0.00    +0.042 A 
ATOM     17 CL   LIG    1        4.073   0.521   2.371  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1        2.264   0.699   0.377  0.00  0.00    +0.036 A 
ENDBRANCH  10  11
ENDBRANCH   7  10
TORSDOF 2