REMARK  Name = BDB000554
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.499   0.414  -1.924  0.00  0.00    -0.283 OA
ATOM      2  C   LIG    1        0.715  -0.268  -0.929  0.00  0.00    +0.233 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        1.849   0.042  -0.018  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        2.727   1.071  -0.384  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        3.800   1.389   0.460  0.00  0.00    +0.141 A 
ATOM      6  C   LIG    1        4.018   0.716   1.661  0.00  0.00    +0.048 A 
ATOM      7 BR   LIG    1        5.435   1.123   2.851  0.00  0.00    -0.048 Br
ATOM      8  C   LIG    1        3.136  -0.307   2.019  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        2.058  -0.643   1.187  0.00  0.00    +0.013 A 
BRANCH   5  10
ATOM     10  N   LIG    1        4.681   2.452   0.044  0.00  0.00    +0.058 N 
ATOM     11  O   LIG    1        4.277   3.608   0.216  0.00  0.00    -0.126 OA
ATOM     12  O   LIG    1        5.750   2.121  -0.483  0.00  0.00    -0.126 OA
ENDBRANCH   5  10
ENDBRANCH   2   3
BRANCH   2  13
ATOM     13  C   LIG    1       -0.218  -1.422  -0.637  0.00  0.00    +0.233 C 
ATOM     14  O   LIG    1        0.269  -2.529  -0.440  0.00  0.00    -0.283 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -1.689  -1.206  -0.579  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -2.269   0.062  -0.672  0.00  0.00    +0.045 A 
ATOM     17  C   LIG    1       -3.667   0.182  -0.599  0.00  0.00    +0.141 A 
ATOM     18  C   LIG    1       -4.497  -0.925  -0.420  0.00  0.00    +0.048 A 
ATOM     19 BR   LIG    1       -6.382  -0.817  -0.253  0.00  0.00    -0.048 Br
ATOM     20  C   LIG    1       -3.909  -2.188  -0.328  0.00  0.00    +0.018 A 
ATOM     21  C   LIG    1       -2.517  -2.327  -0.407  0.00  0.00    +0.013 A 
BRANCH  17  22
ATOM     22  N   LIG    1       -4.222   1.513  -0.696  0.00  0.00    +0.058 N 
ATOM     23  O   LIG    1       -4.853   1.790  -1.722  0.00  0.00    -0.126 OA
ATOM     24  O   LIG    1       -3.979   2.283   0.243  0.00  0.00    -0.126 OA
ENDBRANCH  17  22
ENDBRANCH  13  15
ENDBRANCH   2  13
TORSDOF 5