REMARK  Name = BDB002508
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.391   0.290   1.716  0.00  0.00    +0.109 A 
ATOM      2  C   LIG    1       -0.986   1.352   0.902  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1        0.273   1.313   0.296  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1        1.130   0.224   0.509  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        0.730  -0.818   1.361  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -0.531  -0.784   1.966  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.466   0.236  -0.158  0.00  0.00    +0.252 C 
ATOM      8  N   LIG    1        2.975  -1.002  -0.467  0.00  0.00    -0.234 N 
ATOM      9  H   LIG    1        2.452  -1.851  -0.328  0.00  0.00    +0.160 HD
ATOM     10  O   LIG    1        2.983   1.319  -0.406  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        4.191  -1.177  -1.061  0.00  0.00    +0.315 A 
ATOM     12  O   LIG    1        5.002  -0.116  -1.329  0.00  0.00    -0.407 OA
ATOM     13  C   LIG    1        6.093  -0.729  -1.883  0.00  0.00    +0.244 A 
ATOM     14  N   LIG    1        5.952  -2.037  -1.967  0.00  0.00    -0.108 NA
ATOM     15  N   LIG    1        4.715  -2.326  -1.427  0.00  0.00    -0.092 NA
BRANCH  13  16
ATOM     16  C   LIG    1        7.209   0.143  -2.321  0.00  0.00    +0.257 C 
BRANCH  16  17
ATOM     17  O   LIG    1        8.090   0.395  -1.220  0.00  0.00    -0.374 OA
ATOM     18  C   LIG    1        7.676   1.495  -0.419  0.00  0.00    +0.194 C 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  S   LIG    1       -2.982   0.357   2.526  0.00  0.00    +0.075 S 
ATOM     20  O   LIG    1       -3.352   1.754   2.628  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.876  -0.459   3.720  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  N   LIG    1       -4.022  -0.440   1.414  0.00  0.00    -0.203 N 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.286   0.277   0.190  0.00  0.00    +0.051 A 
ATOM     24  C   LIG    1       -3.575   0.022  -0.988  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1       -3.824   0.778  -2.136  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -4.776   1.797  -2.108  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.474   2.065  -0.933  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -5.225   1.310   0.214  0.00  0.00    +0.025 A 
ENDBRANCH  22  23
BRANCH  22  30
ATOM     29  C   LIG    1       -5.213  -2.550   0.900  0.00  0.00    +0.026 C 
ATOM     30  C   LIG    1       -3.901  -1.920   1.349  0.00  0.00    +0.128 C 
ENDBRANCH  22  30
ENDBRANCH  19  22
ENDBRANCH   1  19
TORSDOF 8