REMARK  Name = BDB054682
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.647   1.948   1.304  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -1.226   0.996   0.655  0.00  0.00    +0.266 A 
ATOM      3  C   LIG    1        0.143   0.633   0.443  0.00  0.00    +0.102 A 
ATOM      4  C   LIG    1        0.502  -0.457  -0.302  0.00  0.00    +0.085 A 
ATOM      5  C   LIG    1        1.901  -0.635  -0.386  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1        2.567   0.350   0.318  0.00  0.00    +0.048 A 
ATOM      7  N   LIG    1       -0.433  -1.303  -0.917  0.00  0.00    -0.237 NA
ATOM      8  C   LIG    1       -1.663  -0.953  -0.709  0.00  0.00    +0.199 A 
ATOM      9  S   LIG    1        1.483   1.465   1.059  0.00  0.00    -0.090 S 
ATOM     10  N   LIG    1       -2.091   0.127   0.027  0.00  0.00    -0.313 N 
ATOM     11  H   LIG    1       -3.074   0.326   0.137  0.00  0.00    +0.170 HD
ENDROOT
TORSDOF 0