REMARK  Name = BDB000560
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.332  -0.064  -2.559  0.00  0.00    -0.283 OA
ATOM      2  C   LIG    1        0.533   0.337  -1.416  0.00  0.00    +0.237 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        1.789   0.017  -0.690  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        1.978   0.253   0.678  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1        3.196  -0.060   1.290  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        4.231  -0.617   0.538  0.00  0.00    +0.019 A 
ATOM      7  C   LIG    1        4.045  -0.863  -0.820  0.00  0.00    +0.019 A 
ATOM      8 BR   LIG    1        5.447  -1.626  -1.834  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1        2.834  -0.552  -1.436  0.00  0.00    +0.030 A 
BRANCH   4  10
ATOM     10  O   LIG    1        0.972   0.764   1.446  0.00  0.00    -0.506 OA
ATOM     11  H   LIG    1        1.321   1.017   2.318  0.00  0.00    +0.292 HD
ENDBRANCH   4  10
ENDBRANCH   2   3
BRANCH   2  12
ATOM     12  C   LIG    1       -0.508   1.230  -0.795  0.00  0.00    +0.237 C 
ATOM     13  O   LIG    1       -0.294   2.439  -0.793  0.00  0.00    -0.283 OA
BRANCH  12  14
ATOM     14  C   LIG    1       -1.778   0.664  -0.272  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1       -1.985  -0.702  -0.044  0.00  0.00    +0.128 A 
ATOM     16  C   LIG    1       -3.215  -1.163   0.435  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1       -4.245  -0.258   0.697  0.00  0.00    +0.019 A 
ATOM     18  C   LIG    1       -4.041   1.103   0.482  0.00  0.00    +0.019 A 
ATOM     19 BR   LIG    1       -5.435   2.327   0.845  0.00  0.00    -0.050 Br
ATOM     20  C   LIG    1       -2.818   1.568   0.003  0.00  0.00    +0.030 A 
BRANCH  15  21
ATOM     21  O   LIG    1       -0.985  -1.607  -0.257  0.00  0.00    -0.506 OA
ATOM     22  H   LIG    1       -1.345  -2.510  -0.212  0.00  0.00    +0.292 HD
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   2  12
TORSDOF 5