REMARK  Name = BDB000683
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.711  -0.045   0.208  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        1.022   1.369  -0.102  0.00  0.00    +0.350 A 
ATOM      3  O   LIG    1        0.136   2.183  -0.351  0.00  0.00    -0.244 OA
ATOM      4  O   LIG    1        2.358   1.753  -0.105  0.00  0.00    -0.422 OA
ATOM      5  C   LIG    1        3.387   0.838   0.175  0.00  0.00    +0.139 A 
ATOM      6  C   LIG    1        3.093  -0.490   0.467  0.00  0.00    +0.019 A 
ATOM      7  C   LIG    1        4.142  -1.371   0.741  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1        5.459  -0.905   0.717  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        5.741   0.431   0.423  0.00  0.00    +0.019 A 
ATOM     10 BR   LIG    1        6.878  -2.098   1.089  0.00  0.00    -0.050 Br
ATOM     11  C   LIG    1        4.696   1.312   0.149  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        1.703  -0.913   0.475  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  14
ATOM     13  O   LIG    1       -0.878  -1.774   0.509  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -0.692  -0.588   0.244  0.00  0.00    +0.255 C 
ATOM     15  N   LIG    1       -1.680   0.332  -0.036  0.00  0.00    -0.281 N 
ATOM     16  H   LIG    1       -1.379   1.286  -0.239  0.00  0.00    +0.155 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -3.075   0.125  -0.078  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1       -3.872   1.236  -0.389  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1       -5.263   1.123  -0.453  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -5.873  -0.103  -0.206  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -5.090  -1.213   0.104  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -3.697  -1.100   0.168  0.00  0.00    +0.023 A 
ENDBRANCH  15  17
ENDBRANCH   1  14
TORSDOF 2