REMARK  Name = BDB049708
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.173   0.367   0.330  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        0.807  -0.830   0.602  0.00  0.00    +0.259 A 
ATOM      3  O   LIG    1        0.378  -1.766   1.259  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1        2.137  -0.858  -0.037  0.00  0.00    +0.099 A 
ATOM      5  C   LIG    1        2.343   0.255  -0.741  0.00  0.00    +0.100 A 
ATOM      6 CL   LIG    1        3.774   0.558  -1.623  0.00  0.00    -0.074 Cl
ATOM      7  S   LIG    1        1.047   1.394  -0.706  0.00  0.00    +0.004 S 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1       -2.197   0.104  -0.297  0.00  0.00    +0.028 C 
ATOM      9  C   LIG    1       -1.195   0.653   0.708  0.00  0.00    +0.130 C 
ENDBRANCH   1   9
TORSDOF 1