REMARK  Name = BDB045695
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  CA  LIG    1        0.238   1.758  -0.059  0.00  0.00    +0.158 A 
ATOM      2  C   LIG    1       -0.414   0.508  -0.110  0.00  0.00    +0.042 A 
ATOM      3  C   LIG    1        0.397  -0.630  -0.014  0.00  0.00    +0.078 A 
ATOM      4  N   LIG    1       -0.409  -1.736  -0.082  0.00  0.00    -0.352 N 
ATOM      5  H   LIG    1       -0.063  -2.686  -0.036  0.00  0.00    +0.166 HD
ATOM      6  C   LIG    1       -1.724  -1.379  -0.220  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -2.868  -2.184  -0.325  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -4.108  -1.563  -0.458  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1       -4.197  -0.177  -0.484  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -3.046   0.616  -0.378  0.00  0.00    +0.011 A 
ATOM     11 BR   LIG    1       -2.753  -4.069  -0.291  0.00  0.00    -0.048 Br
ATOM     12  C   LIG    1        1.782  -0.567   0.125  0.00  0.00    +0.113 A 
ATOM     13  C   LIG    1        2.342   0.715   0.166  0.00  0.00    +0.092 A 
ATOM     14  C   LIG    1        3.722   0.741   0.305  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        4.457  -0.446   0.394  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1        3.779  -1.655   0.340  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1        2.441  -1.750   0.206  0.00  0.00    -0.251 NA
ATOM     18  C   LIG    1       -1.771   0.020  -0.241  0.00  0.00    +0.011 A 
ATOM     19  N   LIG    1        1.611   1.841   0.079  0.00  0.00    -0.238 NA
ENDROOT
BRANCH   1  21
ATOM     20  O   LIG    1       -1.618   3.316  -0.266  0.00  0.00    -0.243 OA
ATOM     21  C   LIG    1       -0.432   3.087  -0.143  0.00  0.00    +0.356 C 
BRANCH  21  22
ATOM     22  OXT LIG    1        0.505   4.072  -0.061  0.00  0.00    -0.476 OA
ATOM     23  HXT LIG    1        1.395   3.656   0.034  0.00  0.00    +0.295 HD
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 2