REMARK  Name = BDB045691
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  CA  LIG    1       -0.054   1.816   0.006  0.00  0.00    +0.158 A 
ATOM      2  C   LIG    1        0.552   0.549   0.106  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -0.302  -0.566   0.061  0.00  0.00    +0.059 A 
ATOM      4  N   LIG    1        0.482  -1.690   0.174  0.00  0.00    -0.351 N 
ATOM      5  H   LIG    1        0.144  -2.642   0.173  0.00  0.00    +0.166 HD
ATOM      6  C   LIG    1        1.803  -1.358   0.289  0.00  0.00    +0.083 A 
ATOM      7  C   LIG    1        2.915  -2.192   0.423  0.00  0.00    +0.147 A 
ATOM      8  C   LIG    1        4.178  -1.625   0.525  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1        4.318  -0.243   0.493  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        3.194   0.587   0.358  0.00  0.00    +0.011 A 
ATOM     11  F   LIG    1        2.769  -3.523   0.453  0.00  0.00    -0.203 F 
ATOM     12  C   LIG    1       -1.705  -0.445  -0.077  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1       -2.205   0.865  -0.168  0.00  0.00    +0.074 A 
ATOM     14  C   LIG    1       -3.578   1.022  -0.304  0.00  0.00    +0.029 A 
ATOM     15  C   LIG    1       -4.446  -0.076  -0.351  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1       -3.934  -1.367  -0.260  0.00  0.00    +0.014 A 
ATOM     17  I   LIG    1       -5.217  -2.998  -0.328  0.00  0.00    -0.044 I 
ATOM     18  C   LIG    1       -2.563  -1.565  -0.122  0.00  0.00    +0.026 A 
ATOM     19  C   LIG    1        1.895   0.033   0.252  0.00  0.00    +0.012 A 
ATOM     20  N   LIG    1       -1.420   1.947  -0.129  0.00  0.00    -0.239 NA
ENDROOT
BRANCH   1  22
ATOM     21  O   LIG    1        1.857   3.317   0.140  0.00  0.00    -0.243 OA
ATOM     22  C   LIG    1        0.663   3.124   0.032  0.00  0.00    +0.356 C 
BRANCH  22  23
ATOM     23  OXT LIG    1       -0.239   4.136  -0.088  0.00  0.00    -0.476 OA
ATOM     24  HXT LIG    1       -1.142   3.744  -0.162  0.00  0.00    +0.295 HD
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 2