REMARK  Name = BDB002925
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.288   0.862  -1.764  0.00  0.00    +0.278 A 
ATOM      2  O   LIG    1        0.449   0.734  -0.689  0.00  0.00    -0.411 OA
ATOM      3  C   LIG    1       -0.528  -0.087  -1.178  0.00  0.00    +0.251 A 
ATOM      4  N   LIG    1       -0.340  -0.391  -2.446  0.00  0.00    -0.106 NA
ATOM      5  N   LIG    1        0.841   0.217  -2.822  0.00  0.00    -0.101 NA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -1.647  -0.425  -0.305  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1       -1.571  -0.522   1.096  0.00  0.00    +0.055 A 
ATOM      8 CL   LIG    1       -0.101  -0.306   1.987  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -2.707  -0.845   1.853  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -3.924  -1.082   1.221  0.00  0.00    +0.042 A 
ATOM     11 CL   LIG    1       -5.311  -1.478   2.156  0.00  0.00    -0.083 Cl
ATOM     12  C   LIG    1       -4.021  -1.007  -0.163  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1       -2.890  -0.684  -0.918  0.00  0.00    +0.016 A 
ENDBRANCH   3   6
BRANCH   1  14
ATOM     14  S   LIG    1        2.756   1.787  -1.746  0.00  0.00    -0.062 S 
BRANCH  14  15
ATOM     15  C   LIG    1        3.055   1.934   0.029  0.00  0.00    +0.105 C 
BRANCH  15  17
ATOM     16  C   LIG    1        3.964  -0.469   0.202  0.00  0.00    +0.005 C 
ATOM     17  C   LIG    1        3.517   0.682   0.725  0.00  0.00    -0.023 C 
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 4