REMARK  Name = BDB045693
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  CA  LIG    1       -0.068  -1.824  -0.105  0.00  0.00    +0.158 A 
ATOM      2  C   LIG    1        0.549  -0.569   0.058  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -0.298   0.550   0.102  0.00  0.00    +0.059 A 
ATOM      4  N   LIG    1        0.496   1.659   0.264  0.00  0.00    -0.353 N 
ATOM      5  H   LIG    1        0.162   2.610   0.329  0.00  0.00    +0.166 HD
ATOM      6  C   LIG    1        1.822   1.321   0.328  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        2.949   2.140   0.487  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1        4.207   1.542   0.522  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1        4.327   0.164   0.401  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        3.191  -0.642   0.242  0.00  0.00    +0.011 A 
ATOM     11 BR   LIG    1        2.787   4.015   0.652  0.00  0.00    -0.048 Br
ATOM     12  C   LIG    1       -1.704   0.447  -0.010  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1       -2.217  -0.852  -0.169  0.00  0.00    +0.074 A 
ATOM     14  C   LIG    1       -3.594  -0.992  -0.282  0.00  0.00    +0.029 A 
ATOM     15  C   LIG    1       -4.454   0.112  -0.241  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1       -3.930   1.392  -0.083  0.00  0.00    +0.014 A 
ATOM     17  I   LIG    1       -5.202   3.032  -0.020  0.00  0.00    -0.044 I 
ATOM     18  C   LIG    1       -2.555   1.573   0.034  0.00  0.00    +0.026 A 
ATOM     19  C   LIG    1        1.899  -0.068   0.203  0.00  0.00    +0.011 A 
ATOM     20  N   LIG    1       -1.438  -1.938  -0.215  0.00  0.00    -0.239 NA
ENDROOT
BRANCH   1  22
ATOM     21  O   LIG    1        1.832  -3.345  -0.111  0.00  0.00    -0.243 OA
ATOM     22  C   LIG    1        0.637  -3.136  -0.177  0.00  0.00    +0.356 C 
BRANCH  22  23
ATOM     23  OXT LIG    1       -0.276  -4.132  -0.338  0.00  0.00    -0.476 OA
ATOM     24  HXT LIG    1       -1.177  -3.729  -0.365  0.00  0.00    +0.295 HD
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 2