REMARK  Name = BDB049718
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.078   0.168  -0.473  0.00  0.00    -0.279 N 
ATOM      2  C   LIG    1        1.005   0.735   0.380  0.00  0.00    +0.258 A 
ATOM      3  O   LIG    1        0.824   1.621   1.200  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1        2.322   0.094   0.180  0.00  0.00    +0.079 A 
ATOM      5  C   LIG    1        2.253  -0.882  -0.730  0.00  0.00    +0.069 A 
ATOM      6  S   LIG    1        0.682  -1.115  -1.412  0.00  0.00    -0.017 S 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.083  -0.320   0.609  0.00  0.00    +0.028 C 
ATOM      8  C   LIG    1       -1.334   0.485  -0.442  0.00  0.00    +0.130 C 
ENDBRANCH   1   8
TORSDOF 1