REMARK  Name = BDB054938
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.295  -0.084  -0.343  0.00  0.00    +0.048 C 
ATOM      2  C   LIG    1        4.962   0.494  -0.049  0.00  0.00    -0.001 A 
ATOM      3  C   LIG    1        3.691  -0.070  -0.343  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1        3.248  -1.289  -0.969  0.00  0.00    +0.237 C 
ATOM      5  C   LIG    1        1.728  -1.450  -1.198  0.00  0.00    +0.234 C 
ATOM      6  C   LIG    1        0.769  -0.480  -0.530  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1       -0.642  -0.682  -0.534  0.00  0.00    -0.032 A 
ATOM      8  C   LIG    1       -1.230  -1.953  -1.114  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1       -2.679  -2.211  -0.728  0.00  0.00    +0.006 C 
ATOM     10  C   LIG    1       -3.494  -0.952  -0.941  0.00  0.00    +0.014 C 
ATOM     11  C   LIG    1       -3.034   0.208  -0.021  0.00  0.00    +0.016 C 
ATOM     12  C   LIG    1       -3.529  -0.050   1.421  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1       -1.493   0.325  -0.002  0.00  0.00    -0.035 A 
ATOM     14  C   LIG    1       -0.904   1.455   0.598  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        0.476   1.627   0.647  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        1.315   0.673   0.082  0.00  0.00    +0.029 A 
ATOM     17  O   LIG    1        1.346  -2.334  -1.954  0.00  0.00    -0.283 OA
ATOM     18  O   LIG    1        4.023  -2.170  -1.315  0.00  0.00    -0.283 OA
ATOM     19  C   LIG    1        2.753   0.813   0.118  0.00  0.00    +0.147 A 
ATOM     20  O   LIG    1        3.338   1.898   0.677  0.00  0.00    -0.462 OA
ATOM     21  C   LIG    1        4.682   1.700   0.572  0.00  0.00    +0.199 A 
ENDROOT
BRANCH  11  22
ATOM     22  C   LIG    1       -3.718   1.490  -0.597  0.00  0.00    +0.167 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -3.753   2.576   0.324  0.00  0.00    -0.394 OA
ATOM     24  H   LIG    1       -4.196   3.316  -0.127  0.00  0.00    +0.209 HD
ENDBRANCH  22  23
ENDBRANCH  11  22
TORSDOF 2