REMARK  Name = BDB045697
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  CA  LIG    1       -0.104   1.791  -0.168  0.00  0.00    +0.158 A 
ATOM      2  C   LIG    1        0.526   0.543   0.000  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -0.313  -0.572   0.147  0.00  0.00    +0.059 A 
ATOM      4  N   LIG    1        0.492  -1.675   0.296  0.00  0.00    -0.353 N 
ATOM      5  H   LIG    1        0.163  -2.622   0.422  0.00  0.00    +0.166 HD
ATOM      6  C   LIG    1        1.819  -1.336   0.254  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        2.956  -2.148   0.365  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1        4.212  -1.550   0.288  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1        4.320  -0.178   0.105  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        3.174   0.622  -0.005  0.00  0.00    +0.011 A 
ATOM     11 BR   LIG    1        2.810  -4.016   0.614  0.00  0.00    -0.048 Br
ATOM     12  C   LIG    1       -1.724  -0.473   0.131  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1       -2.250   0.818  -0.043  0.00  0.00    +0.074 A 
ATOM     14  C   LIG    1       -3.631   0.953  -0.064  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -4.481  -0.150   0.082  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -3.949  -1.424   0.253  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -2.567  -1.595   0.279  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        1.884   0.047   0.069  0.00  0.00    +0.011 A 
ATOM     19  N   LIG    1       -1.478   1.902  -0.186  0.00  0.00    -0.239 NA
ENDROOT
BRANCH   1  21
ATOM     20  O   LIG    1        1.787   3.311  -0.367  0.00  0.00    -0.243 OA
ATOM     21  C   LIG    1        0.592   3.099  -0.341  0.00  0.00    +0.356 C 
BRANCH  21  22
ATOM     22  OXT LIG    1       -0.334   4.088  -0.475  0.00  0.00    -0.476 OA
ATOM     23  HXT LIG    1       -1.233   3.682  -0.423  0.00  0.00    +0.295 HD
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 2