REMARK  Name = BDB045692
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  CA  LIG    1       -0.057   1.821  -0.087  0.00  0.00    +0.158 A 
ATOM      2  C   LIG    1        0.552   0.561   0.070  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -0.301  -0.554   0.094  0.00  0.00    +0.059 A 
ATOM      4  N   LIG    1        0.485  -1.669   0.253  0.00  0.00    -0.352 N 
ATOM      5  H   LIG    1        0.147  -2.620   0.305  0.00  0.00    +0.166 HD
ATOM      6  C   LIG    1        1.812  -1.337   0.334  0.00  0.00    +0.066 A 
ATOM      7  C   LIG    1        2.932  -2.164   0.496  0.00  0.00    +0.065 A 
ATOM      8  C   LIG    1        4.193  -1.575   0.551  0.00  0.00    +0.022 A 
ATOM      9  C   LIG    1        4.323  -0.197   0.445  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        3.193   0.618   0.283  0.00  0.00    +0.011 A 
ATOM     11 CL   LIG    1        2.761  -3.869   0.627  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -1.706  -0.442  -0.032  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1       -2.210   0.860  -0.183  0.00  0.00    +0.074 A 
ATOM     14  C   LIG    1       -3.584   1.009  -0.309  0.00  0.00    +0.029 A 
ATOM     15  C   LIG    1       -4.451  -0.091  -0.288  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1       -3.936  -1.375  -0.137  0.00  0.00    +0.014 A 
ATOM     17  I   LIG    1       -5.216  -3.009  -0.104  0.00  0.00    -0.044 I 
ATOM     18  C   LIG    1       -2.562  -1.565  -0.008  0.00  0.00    +0.026 A 
ATOM     19  C   LIG    1        1.897   0.052   0.224  0.00  0.00    +0.011 A 
ATOM     20  N   LIG    1       -1.425   1.943  -0.210  0.00  0.00    -0.239 NA
ENDROOT
BRANCH   1  22
ATOM     21  O   LIG    1        1.851   3.330  -0.057  0.00  0.00    -0.243 OA
ATOM     22  C   LIG    1        0.656   3.130  -0.139  0.00  0.00    +0.356 C 
BRANCH  22  23
ATOM     23  OXT LIG    1       -0.250   4.133  -0.298  0.00  0.00    -0.476 OA
ATOM     24  HXT LIG    1       -1.153   3.736  -0.339  0.00  0.00    +0.295 HD
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 2