REMARK  Name = BDB000548
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.742   1.069   1.235  0.00  0.00    +0.233 C 
ATOM      2  O   LIG    1        1.265   2.144   1.505  0.00  0.00    -0.283 OA
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -4.622   0.919  -0.984  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -3.232   0.916  -0.409  0.00  0.00    -0.047 A 
ATOM      5  C   LIG    1       -2.535  -0.287  -0.176  0.00  0.00    -0.047 A 
ATOM      6  C   LIG    1       -3.155  -1.623  -0.489  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1       -1.238  -0.242   0.367  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -0.633   0.982   0.678  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -1.332   2.171   0.447  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -2.619   2.137  -0.092  0.00  0.00    +0.004 A 
ENDBRANCH   1   8
BRANCH   1  11
ATOM     11  C   LIG    1        1.549  -0.192   1.439  0.00  0.00    +0.233 C 
ATOM     12  O   LIG    1        1.183  -0.984   2.300  0.00  0.00    -0.283 OA
BRANCH  11  13
ATOM     13  C   LIG    1        2.728  -0.459   0.576  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1        3.151   0.442  -0.409  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        4.257   0.137  -1.207  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        4.942  -1.065  -1.027  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        4.527  -1.964  -0.047  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        3.423  -1.663   0.753  0.00  0.00    +0.012 A 
ENDBRANCH  11  13
ENDBRANCH   1  11
TORSDOF 3