REMARK  Name = LIG000258
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.151   0.924   0.237  0.00  0.00    +0.141 C 
ATOM      2  N   LIG    1       -2.879   0.225   0.305  0.00  0.00    -0.245 N 
ATOM      3  C   LIG    1       -2.574  -0.630  -0.754  0.00  0.00    +0.225 C 
ATOM      4  O   LIG    1       -3.324  -0.796  -1.718  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1       -1.213  -1.303  -0.734  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1       -0.779  -1.514   0.713  0.00  0.00    +0.023 C 
ATOM      7  C   LIG    1       -0.727  -0.195   1.455  0.00  0.00    +0.097 C 
ATOM      8  C   LIG    1       -2.034   0.554   1.364  0.00  0.00    +0.222 C 
ATOM      9  O   LIG    1       -2.284   1.448   2.174  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -0.274  -0.476  -1.623  0.00  0.00    +0.087 C 
BRANCH  10  11
ATOM     11  S   LIG    1        1.363  -1.261  -1.864  0.00  0.00    -0.124 S 
BRANCH  11  12
ATOM     12  C   LIG    1        2.364  -0.306  -0.740  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        2.523   1.075  -0.900  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        3.311   1.802  -0.005  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        3.955   1.151   1.046  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        3.820  -0.228   1.197  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        3.032  -0.955   0.302  0.00  0.00    +0.015 A 
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   5  10
TORSDOF 3