REMARK  Name = BDB001996
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.076  -0.042   0.185  0.00  0.00    +0.169 A 
ATOM      2  S   LIG    1        0.107  -1.482   0.109  0.00  0.00    -0.053 S 
ATOM      3  C   LIG    1       -1.500  -0.759  -0.036  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -1.732   0.571   0.308  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1       -3.027   1.105   0.224  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -4.086   0.312  -0.219  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.856  -1.015  -0.570  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -0.624   1.427   0.796  0.00  0.00    +0.281 A 
ATOM      9  O   LIG    1       -0.926   2.416   1.456  0.00  0.00    -0.265 OA
ATOM     10  C   LIG    1       -2.570  -1.551  -0.475  0.00  0.00    +0.016 A 
ATOM     11  N   LIG    1        0.676   1.139   0.478  0.00  0.00    -0.186 NA
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1        4.768  -0.205  -0.365  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1        3.457   0.518  -0.192  0.00  0.00    +0.216 C 
ATOM     14  N   LIG    1        2.381  -0.351  -0.112  0.00  0.00    -0.265 N 
ATOM     15  H   LIG    1        2.555  -1.334  -0.256  0.00  0.00    +0.157 HD
ATOM     16  O   LIG    1        3.405   1.741  -0.197  0.00  0.00    -0.276 OA
ENDBRANCH   1  14
TORSDOF 1