REMARK  Name = BDB052506
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.274   0.325  -0.110  0.00  0.00    +0.134 A 
ATOM      2  C   LIG    1       -0.897   0.046  -0.221  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1       -0.474  -1.206  -0.684  0.00  0.00    +0.143 A 
ATOM      4  O   LIG    1        0.839  -1.583  -0.831  0.00  0.00    -0.454 OA
ATOM      5  C   LIG    1        1.817  -0.681  -0.505  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1        1.557   0.600  -0.031  0.00  0.00    +0.065 A 
ATOM      7  C   LIG    1        2.612   1.466   0.281  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1        3.930   1.038   0.116  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        4.182  -0.245  -0.359  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1        3.137  -1.110  -0.671  0.00  0.00    +0.092 A 
ATOM     11  C   LIG    1       -1.409  -2.181  -1.038  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -2.768  -1.912  -0.930  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1        0.158   1.028   0.135  0.00  0.00    +0.204 A 
ATOM     14  O   LIG    1       -0.071   2.156   0.552  0.00  0.00    -0.286 OA
ATOM     15  C   LIG    1       -3.199  -0.667  -0.469  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1       -4.021   1.864   0.468  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -2.639   1.561   0.348  0.00  0.00    -0.494 OA
ENDBRANCH   1  17
BRANCH   9  18
ATOM     18  O   LIG    1        5.484  -0.621  -0.505  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1        5.516  -1.532  -0.841  0.00  0.00    +0.292 HD
ENDBRANCH   9  18
TORSDOF 2