REMARK  Name = BDB046555
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.386   0.798   0.469  0.00  0.00    +0.205 A 
ATOM      2  C   LIG    1       -1.377  -0.163   0.321  0.00  0.00    +0.188 A 
ATOM      3  C   LIG    1       -1.715  -1.521   0.339  0.00  0.00    +0.109 A 
ATOM      4  C   LIG    1       -0.643  -2.513   0.174  0.00  0.00    +0.197 A 
ATOM      5  C   LIG    1        0.725  -2.007   0.013  0.00  0.00    +0.098 A 
ATOM      6  C   LIG    1        0.927  -0.684   0.025  0.00  0.00    +0.139 A 
ATOM      7  O   LIG    1       -0.882  -3.716   0.170  0.00  0.00    -0.287 OA
ATOM      8  C   LIG    1       -3.045  -1.924   0.519  0.00  0.00    +0.135 A 
ATOM      9  C   LIG    1       -4.045  -0.976   0.695  0.00  0.00    +0.095 A 
ATOM     10  O   LIG    1       -0.075   0.255   0.195  0.00  0.00    -0.451 OA
ATOM     11  C   LIG    1       -3.705   0.371   0.677  0.00  0.00    +0.166 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1        2.275  -0.103  -0.119  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1        2.674   0.955   0.712  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        3.942   1.526   0.582  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        4.826   1.050  -0.384  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        4.442   0.006  -1.222  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        3.173  -0.566  -1.093  0.00  0.00    +0.011 A 
ENDBRANCH   6  12
BRANCH   1  19
ATOM     18  C   LIG    1       -1.272   2.679  -0.446  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -2.221   2.162   0.484  0.00  0.00    -0.488 OA
ENDBRANCH   1  19
BRANCH   8  20
ATOM     20  O   LIG    1       -3.431  -3.237   0.543  0.00  0.00    -0.506 OA
ATOM     21  H   LIG    1       -2.633  -3.799   0.417  0.00  0.00    +0.292 HD
ENDBRANCH   8  20
BRANCH  11  22
ATOM     22  O   LIG    1       -4.704   1.289   0.861  0.00  0.00    -0.503 OA
ATOM     23  H   LIG    1       -4.263   2.161   0.857  0.00  0.00    +0.292 HD
ENDBRANCH  11  22
TORSDOF 4