REMARK  Name = BDB046929
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.226  -0.110  -0.367  0.00  0.00    +0.090 A 
ATOM      2  N   LIG    1        0.423   0.476  -1.575  0.00  0.00    -0.253 NA
ATOM      3  C   LIG    1        1.689   0.734  -1.962  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1        2.795   0.454  -1.186  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1        2.571  -0.122   0.063  0.00  0.00    +0.062 A 
ATOM      6  C   LIG    1        1.276  -0.428   0.481  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -4.650   0.708  -0.089  0.00  0.00    +0.073 C 
ATOM      8  C   LIG    1       -3.341   0.025   0.100  0.00  0.00    +0.076 A 
ATOM      9  S   LIG    1       -3.266  -1.482   0.921  0.00  0.00    -0.080 S 
ATOM     10  C   LIG    1       -1.568  -1.514   0.681  0.00  0.00    +0.076 A 
ATOM     11  C   LIG    1       -1.162  -0.381   0.000  0.00  0.00    +0.097 A 
ATOM     12  N   LIG    1       -2.190   0.497  -0.324  0.00  0.00    -0.243 NA
ENDBRANCH   1  11
BRANCH   5  13
ATOM     13  C   LIG    1        3.691  -0.465   0.961  0.00  0.00    +0.337 C 
ATOM     14  O   LIG    1        3.724  -1.496   1.608  0.00  0.00    -0.245 OA
BRANCH  13  15
ATOM     15  O   LIG    1        4.639   0.493   1.020  0.00  0.00    -0.477 OA
ATOM     16  H   LIG    1        4.399   1.341   0.601  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   5  13
TORSDOF 3