REMARK  Name = BDB000671
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.197   0.708   0.198  0.00  0.00    +0.181 A 
ATOM      2  C   LIG    1        0.781   1.270   1.272  0.00  0.00    +0.208 A 
ATOM      3  C   LIG    1        2.132   0.775   1.685  0.00  0.00    +0.238 A 
ATOM      4  O   LIG    1        2.693   1.251   2.665  0.00  0.00    -0.283 OA
ATOM      5  C   LIG    1        2.728  -0.301   0.858  0.00  0.00    +0.109 A 
ATOM      6  C   LIG    1        1.983  -0.786  -0.219  0.00  0.00    +0.147 A 
ATOM      7  C   LIG    1        2.485  -1.803  -1.033  0.00  0.00    +0.092 A 
ATOM      8  C   LIG    1        3.739  -2.338  -0.772  0.00  0.00    +0.124 A 
ATOM      9  C   LIG    1        4.503  -1.873   0.293  0.00  0.00    +0.091 A 
ATOM     10  C   LIG    1        3.995  -0.854   1.107  0.00  0.00    +0.135 A 
ATOM     11  O   LIG    1        0.739  -0.317  -0.550  0.00  0.00    -0.451 OA
ENDROOT
BRANCH   1  16
ATOM     12  C   LIG    1       -3.479   0.637  -0.644  0.00  0.00    +0.162 A 
ATOM     13  C   LIG    1       -3.627   1.905  -1.218  0.00  0.00    +0.158 A 
ATOM     14  C   LIG    1       -2.554   2.779  -1.345  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1       -1.298   2.386  -0.886  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1       -1.126   1.124  -0.297  0.00  0.00    +0.025 A 
ATOM     17  C   LIG    1       -2.220   0.249  -0.184  0.00  0.00    +0.061 A 
BRANCH  12  19
ATOM     18  C   LIG    1       -4.514  -1.417  -0.036  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -4.627  -0.111  -0.591  0.00  0.00    -0.491 OA
ENDBRANCH  12  19
BRANCH  13  20
ATOM     20  O   LIG    1       -4.849   2.316  -1.675  0.00  0.00    -0.503 OA
ATOM     21  H   LIG    1       -5.451   1.566  -1.502  0.00  0.00    +0.292 HD
ENDBRANCH  13  20
ENDBRANCH   1  16
BRANCH   2  22
ATOM     22  O   LIG    1        0.210   2.274   2.038  0.00  0.00    -0.501 OA
ATOM     23  H   LIG    1       -0.692   2.451   1.725  0.00  0.00    +0.292 HD
ENDBRANCH   2  22
BRANCH   8  24
ATOM     24  O   LIG    1        4.187  -3.329  -1.593  0.00  0.00    -0.507 OA
ATOM     25  H   LIG    1        5.074  -3.606  -1.312  0.00  0.00    +0.292 HD
ENDBRANCH   8  24
BRANCH  10  26
ATOM     26  O   LIG    1        4.760  -0.409   2.147  0.00  0.00    -0.506 OA
ATOM     27  H   LIG    1        5.606  -0.881   2.187  0.00  0.00    +0.292 HD
ENDBRANCH  10  26
TORSDOF 6