REMARK  Name = BDB047003
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.193   2.270  -0.513  0.00  0.00    +0.275 C 
ATOM      2  N   LIG    1       -1.006   1.264   0.046  0.00  0.00    -0.182 N 
ATOM      3  H   LIG    1       -0.612   0.686   0.785  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -0.546   2.966  -1.455  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1        0.946   3.342   1.385  0.00  0.00    +0.065 C 
ATOM      6  C   LIG    1        1.187   2.420   0.175  0.00  0.00    +0.181 C 
ATOM      7  C   LIG    1        2.219   3.105  -0.731  0.00  0.00    +0.065 C 
BRANCH   6   8
ATOM      8  O   LIG    1        1.722   1.215   0.740  0.00  0.00    -0.477 OA
BRANCH   8   9
ATOM      9  C   LIG    1        1.930   0.082   0.010  0.00  0.00    +0.122 A 
ATOM     10  C   LIG    1        1.662  -0.113  -1.345  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        1.889  -1.361  -1.937  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1        2.387  -2.416  -1.177  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1        2.647  -3.951  -1.905  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        2.666  -2.232   0.173  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        2.436  -0.986   0.760  0.00  0.00    +0.047 A 
ENDBRANCH   8   9
ENDBRANCH   6   8
ENDBRANCH   1   6
BRANCH   2  16
ATOM     16  S   LIG    1       -2.318   0.627  -0.755  0.00  0.00    +0.074 S 
ATOM     17  O   LIG    1       -1.904   0.226  -2.082  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -3.463   1.477  -0.517  0.00  0.00    -0.150 OA
BRANCH  16  19
ATOM     19  C   LIG    1       -2.557  -0.866   0.186  0.00  0.00    +0.109 A 
ATOM     20  C   LIG    1       -1.840  -2.017  -0.159  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1       -2.014  -3.182   0.587  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -2.905  -3.195   1.662  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.627  -2.047   1.994  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.458  -0.876   1.254  0.00  0.00    +0.029 A 
ENDBRANCH  16  19
ENDBRANCH   2  16
TORSDOF 5