REMARK  Name = BDB064545
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.316   0.370  -0.686  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        4.259  -1.037  -0.678  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1        3.049  -1.679  -0.390  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1        1.890  -0.935  -0.106  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        1.949   0.468  -0.112  0.00  0.00    -0.011 A 
ATOM      6  C   LIG    1        0.787   1.192   0.161  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -0.408   0.527   0.442  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1       -1.687   1.224   0.565  0.00  0.00    +0.044 A 
ATOM      9  C   LIG    1       -2.667   1.014  -0.438  0.00  0.00    +0.133 A 
ATOM     10  C   LIG    1       -3.916   1.627  -0.403  0.00  0.00    +0.095 A 
ATOM     11  C   LIG    1       -4.170   2.445   0.675  0.00  0.00    +0.170 A 
ATOM     12  O   LIG    1       -5.325   3.125   0.899  0.00  0.00    -0.452 OA
ATOM     13  C   LIG    1       -5.008   3.819   2.125  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1       -3.689   3.504   2.628  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1       -3.235   2.663   1.662  0.00  0.00    +0.167 A 
ATOM     16  O   LIG    1       -2.301   0.252  -1.510  0.00  0.00    -0.491 OA
ATOM     17  C   LIG    1       -2.672  -1.125  -1.443  0.00  0.00    +0.234 C 
ATOM     18  C   LIG    1       -2.760  -1.810  -0.066  0.00  0.00    +0.043 C 
ATOM     19  C   LIG    1       -2.959  -3.318  -0.276  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1       -1.646  -1.569   0.966  0.00  0.00    +0.128 C 
ATOM     21  C   LIG    1       -1.984   2.075   1.637  0.00  0.00    +0.063 A 
ATOM     22  N   LIG    1       -0.444  -0.838   0.473  0.00  0.00    -0.346 N 
ATOM     23  C   LIG    1        0.672  -1.554   0.192  0.00  0.00    +0.094 A 
ATOM     24  C   LIG    1        3.163   1.110  -0.405  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   1  26
ATOM     25  C   LIG    1        5.649   2.333  -1.029  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        5.539   0.917  -0.978  0.00  0.00    -0.491 OA
ENDBRANCH   1  26
BRANCH   2  27
ATOM     27  O   LIG    1        5.433  -1.685  -0.962  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1        5.434  -3.105  -0.999  0.00  0.00    +0.277 C 
ENDBRANCH   2  27
TORSDOF 2