REMARK  Name = BDB000586
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.951   2.210  -1.437  0.00  0.00    -0.174 OA
ATOM      2  S   LIG    1       -0.114   1.058  -1.140  0.00  0.00    -0.023 S 
ATOM      3  O   LIG    1        0.004  -0.023  -2.105  0.00  0.00    -0.174 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        1.525   1.713  -0.837  0.00  0.00    +0.201 C 
BRANCH   4   5
ATOM      5  C   LIG    1        2.401   0.715  -0.129  0.00  0.00    -0.027 A 
ATOM      6  C   LIG    1        2.751   0.909   1.216  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1        3.556  -0.018   1.880  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        4.026  -1.143   1.207  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        3.696  -1.341  -0.132  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        2.892  -0.415  -0.798  0.00  0.00    +0.005 A 
ENDBRANCH   4   5
ENDBRANCH   2   4
BRANCH   2  11
ATOM     11  C   LIG    1       -0.623   0.380   0.443  0.00  0.00    +0.201 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -2.051  -0.090   0.355  0.00  0.00    -0.027 A 
ATOM     13  C   LIG    1       -3.108   0.765   0.698  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -4.430   0.325   0.617  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -4.709  -0.972   0.191  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -3.668  -1.829  -0.159  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -2.345  -1.391  -0.079  0.00  0.00    +0.005 A 
ENDBRANCH  11  12
ENDBRANCH   2  11
TORSDOF 4