REMARK  Name = BDB002445
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.093  -3.943  -0.608  0.00  0.00    -0.244 OA
ATOM      2  C   LIG    1        1.682  -2.808  -0.403  0.00  0.00    +0.351 A 
ATOM      3  C   LIG    1        0.294  -2.476  -0.405  0.00  0.00    +0.123 A 
ATOM      4  C   LIG    1       -0.881  -3.193  -0.605  0.00  0.00    +0.152 A 
ATOM      5  N   LIG    1       -1.961  -2.416  -0.503  0.00  0.00    -0.172 NA
ATOM      6  N   LIG    1       -1.476  -1.159  -0.230  0.00  0.00    -0.214 N 
ATOM      7  C   LIG    1       -0.084  -1.186  -0.168  0.00  0.00    +0.174 A 
ATOM      8  N   LIG    1        0.772  -0.170   0.076  0.00  0.00    -0.189 NA
ATOM      9  C   LIG    1        2.025  -0.521   0.067  0.00  0.00    +0.268 A 
ATOM     10  O   LIG    1        2.540  -1.770  -0.155  0.00  0.00    -0.400 OA
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -2.382  -0.070  -0.059  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1       -1.937   1.229   0.221  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -2.858   2.270   0.382  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -4.225   2.026   0.267  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -4.678   0.740  -0.010  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -3.764  -0.304  -0.173  0.00  0.00    +0.028 A 
ENDBRANCH   6  11
BRANCH   9  17
ATOM     17  C   LIG    1        3.085   0.427   0.307  0.00  0.00    +0.189 A 
ATOM     18  O   LIG    1        2.756   1.735   0.550  0.00  0.00    -0.458 OA
ATOM     19  C   LIG    1        3.912   2.419   0.742  0.00  0.00    +0.196 A 
ATOM     20  C   LIG    1        4.992   1.578   0.628  0.00  0.00    +0.042 A 
ATOM     21  C   LIG    1        4.463   0.295   0.348  0.00  0.00    +0.055 A 
ENDBRANCH   9  17
TORSDOF 2