REMARK  Name = BDB000672
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.107  -1.948   2.858  0.00  0.00    -0.287 OA
ATOM      2  C   LIG    1        0.867  -1.242   1.888  0.00  0.00    +0.197 A 
ATOM      3  C   LIG    1        1.894  -0.599   1.040  0.00  0.00    +0.109 A 
ATOM      4  C   LIG    1        1.455   0.187  -0.034  0.00  0.00    +0.146 A 
ATOM      5  C   LIG    1        2.369   0.836  -0.873  0.00  0.00    +0.096 A 
ATOM      6  C   LIG    1        3.727   0.698  -0.632  0.00  0.00    +0.166 A 
ATOM      7  C   LIG    1        4.175  -0.107   0.408  0.00  0.00    +0.202 A 
ATOM      8  O   LIG    1        0.129   0.383  -0.333  0.00  0.00    -0.454 OA
ATOM      9  C   LIG    1       -0.825  -0.235   0.456  0.00  0.00    +0.139 A 
ATOM     10  C   LIG    1        3.267  -0.743   1.256  0.00  0.00    +0.177 A 
ATOM     11  C   LIG    1       -0.538  -1.000   1.516  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -2.217   0.040   0.049  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1       -3.188  -0.975   0.019  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -4.500  -0.701  -0.379  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -4.845   0.593  -0.755  0.00  0.00    +0.117 A 
ATOM     16  C   LIG    1       -3.900   1.611  -0.742  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -2.590   1.335  -0.344  0.00  0.00    +0.015 A 
BRANCH  15  18
ATOM     18  O   LIG    1       -6.111   0.906  -1.150  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1       -6.657   0.104  -1.107  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH   9  12
BRANCH   7  20
ATOM     20  O   LIG    1        5.514  -0.319   0.603  0.00  0.00    -0.501 OA
ATOM     21  H   LIG    1        5.928  -0.272  -0.280  0.00  0.00    +0.292 HD
ENDBRANCH   7  20
BRANCH   6  22
ATOM     22  O   LIG    1        4.611   1.378  -1.416  0.00  0.00    -0.503 OA
ATOM     23  H   LIG    1        5.282   1.757  -0.819  0.00  0.00    +0.292 HD
ENDBRANCH   6  22
BRANCH  10  24
ATOM     24  O   LIG    1        3.774  -1.508   2.269  0.00  0.00    -0.503 OA
ATOM     25  H   LIG    1        4.746  -1.431   2.213  0.00  0.00    +0.292 HD
ENDBRANCH  10  24
TORSDOF 5