REMARK  Name = BDB049698
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.167  -0.896   0.041  0.00  0.00    +0.053 C 
ATOM      2  C   LIG    1        2.807  -0.294  -0.045  0.00  0.00    +0.009 A 
ATOM      3  S   LIG    1        1.404  -1.207   0.385  0.00  0.00    -0.008 S 
ATOM      4  N   LIG    1        0.367   0.120   0.025  0.00  0.00    -0.246 N 
ATOM      5  C   LIG    1        1.077   1.240  -0.415  0.00  0.00    +0.263 A 
ATOM      6  O   LIG    1        0.683   2.347  -0.756  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1        2.530   0.950  -0.443  0.00  0.00    +0.083 A 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -1.055   0.032   0.177  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1       -1.678  -1.147   0.630  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -3.068  -1.236   0.781  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -3.873  -0.146   0.481  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -3.288   1.031   0.032  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -1.897   1.117  -0.117  0.00  0.00    +0.027 A 
ENDBRANCH   4   8
TORSDOF 1