REMARK  Name = BDB000551
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.435   0.565  -1.524  0.00  0.00    +0.233 C 
ATOM      2  O   LIG    1       -0.399   0.270  -2.713  0.00  0.00    -0.283 OA
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1       -3.989  -0.324  -0.604  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1       -2.806  -0.135  -1.325  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -1.668   0.405  -0.710  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -1.721   0.758   0.642  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -2.901   0.571   1.364  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -4.031   0.031   0.744  0.00  0.00    +0.045 A 
BRANCH   3  10
ATOM      9  C   LIG    1       -6.257  -1.039  -0.652  0.00  0.00    +0.277 C 
ATOM     10  O   LIG    1       -5.018  -0.861  -1.327  0.00  0.00    -0.495 OA
ENDBRANCH   3  10
ENDBRANCH   1   5
BRANCH   1  11
ATOM     11  C   LIG    1        0.833   1.067  -0.874  0.00  0.00    +0.233 C 
ATOM     12  O   LIG    1        0.858   2.219  -0.457  0.00  0.00    -0.283 OA
BRANCH  11  13
ATOM     13  C   LIG    1        1.995   0.153  -0.720  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        3.146   0.646  -0.081  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1        4.256  -0.178   0.105  0.00  0.00    +0.121 A 
ATOM     16  C   LIG    1        4.211  -1.498  -0.348  0.00  0.00    +0.045 A 
ATOM     17  C   LIG    1        3.074  -1.994  -0.986  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        1.964  -1.171  -1.173  0.00  0.00    +0.012 A 
BRANCH  15  19
ATOM     19  O   LIG    1        5.430   0.179   0.710  0.00  0.00    -0.495 OA
ATOM     20  C   LIG    1        5.551   1.530   1.138  0.00  0.00    +0.277 C 
ENDBRANCH  15  19
ENDBRANCH  11  13
ENDBRANCH   1  11
TORSDOF 5