REMARK  Name = BDB002556
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.224  -0.081  -0.281  0.00  0.00    +0.112 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.109  -1.349  -1.088  0.00  0.00    +0.309 C 
ATOM      3  O   LIG    1       -1.103  -1.424  -2.305  0.00  0.00    -0.251 OA
BRANCH   2   4
ATOM      4  O   LIG    1       -1.107  -2.471  -0.343  0.00  0.00    -0.480 OA
ATOM      5  H   LIG    1       -1.035  -3.190  -1.008  0.00  0.00    +0.295 HD
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1   6
ATOM      6  C   LIG    1       -2.675   0.044   0.199  0.00  0.00    +0.135 C 
BRANCH   6   8
ATOM      7  O   LIG    1       -2.286   2.425   0.459  0.00  0.00    -0.251 OA
ATOM      8  C   LIG    1       -3.054   1.477   0.479  0.00  0.00    +0.305 C 
BRANCH   8   9
ATOM      9  O   LIG    1       -4.364   1.615   0.785  0.00  0.00    -0.481 OA
ATOM     10  H   LIG    1       -4.872   0.781   0.768  0.00  0.00    +0.295 HD
ENDBRANCH   8   9
ENDBRANCH   6   8
ENDBRANCH   1   6
BRANCH   1  11
ATOM     11  C   LIG    1       -0.226  -0.043   0.889  0.00  0.00    +0.050 C 
BRANCH  11  12
ATOM     12  C   LIG    1        1.208   0.080   0.429  0.00  0.00    -0.047 A 
ATOM     13  C   LIG    1        1.701   1.316  -0.015  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        3.021   1.435  -0.454  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        3.852   0.317  -0.451  0.00  0.00    +0.018 A 
ATOM     16 BR   LIG    1        5.640   0.475  -1.046  0.00  0.00    -0.050 Br
ATOM     17  C   LIG    1        3.377  -0.917  -0.013  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        2.056  -1.035   0.426  0.00  0.00    +0.005 A 
ENDBRANCH  11  12
ENDBRANCH   1  11
TORSDOF 7