REMARK  Name = BDB002569
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.467  -0.162   0.704  0.00  0.00    +0.082 A 
ATOM      2  N   LIG    1        0.646  -0.982  -0.057  0.00  0.00    -0.225 NA
ATOM      3  C   LIG    1       -0.445  -1.304   0.598  0.00  0.00    +0.159 A 
ATOM      4  S   LIG    1       -0.538  -0.649   2.188  0.00  0.00    -0.060 S 
ATOM      5  C   LIG    1        0.976   0.119   1.963  0.00  0.00    +0.077 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        4.710   1.720   0.223  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        3.507   1.307   0.797  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        2.735   0.323   0.172  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        3.231  -0.193  -1.025  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        4.397   0.189  -1.608  0.00  0.00    -0.263 NA
ATOM     11  C   LIG    1        5.109   1.137  -0.968  0.00  0.00    +0.111 A 
ENDBRANCH   1   8
BRANCH   3  12
ATOM     12  N   LIG    1       -1.381  -2.103   0.033  0.00  0.00    -0.316 N 
ATOM     13  H   LIG    1       -1.194  -2.286  -0.948  0.00  0.00    +0.148 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -2.800  -1.917   0.303  0.00  0.00    +0.177 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -3.438  -0.718  -0.316  0.00  0.00    +0.122 A 
ATOM     16  O   LIG    1       -4.771  -0.553  -0.066  0.00  0.00    -0.466 OA
ATOM     17  C   LIG    1       -5.160   0.578  -0.708  0.00  0.00    +0.195 A 
ATOM     18  C   LIG    1       -4.098   1.146  -1.370  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1       -2.984   0.310  -1.119  0.00  0.00    +0.046 A 
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH   3  12
TORSDOF 4