REMARK  Name = BDB008457
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.728   3.044  -1.635  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -2.872   2.278  -1.181  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -3.319   0.954  -0.720  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -2.422   0.026  -0.193  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -2.874  -1.227   0.233  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -4.220  -1.597   0.156  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -5.102  -0.654  -0.371  0.00  0.00    +0.126 A 
ATOM      8  F   LIG    1       -6.402  -0.968  -0.464  0.00  0.00    -0.205 F 
ATOM      9  N   LIG    1       -1.776  -1.925   0.693  0.00  0.00    -0.356 N 
ATOM     10  H   LIG    1       -1.802  -2.871   1.055  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1       -0.658  -1.143   0.569  0.00  0.00    +0.044 A 
ATOM     12  C   LIG    1        0.715  -1.548   0.957  0.00  0.00    +0.162 C 
ATOM     13  N   LIG    1        1.672  -0.671   0.279  0.00  0.00    -0.290 N 
ATOM     14  C   LIG    1        2.967  -1.164   0.152  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        3.279  -2.316   0.434  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        1.358   0.770   0.171  0.00  0.00    +0.166 C 
ATOM     17  C   LIG    1       -0.090   1.091  -0.237  0.00  0.00    +0.088 A 
ATOM     18  N   LIG    1       -0.356   2.252  -0.743  0.00  0.00    -0.174 NA
ATOM     19  C   LIG    1       -1.044   0.060   0.024  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1       -4.676   0.596  -0.803  0.00  0.00    +0.052 A 
ATOM     21  N   LIG    1       -1.568   2.729  -1.144  0.00  0.00    -0.242 N 
ATOM     22  H   LIG    1       -1.506   3.675  -1.516  0.00  0.00    +0.192 HD
ENDROOT
BRANCH  14  23
ATOM     23  C   LIG    1        4.011  -0.233  -0.359  0.00  0.00    +0.075 C 
ATOM     24  C   LIG    1        4.634   0.797   0.557  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1        5.445  -0.377   0.102  0.00  0.00    +0.013 C 
ENDBRANCH  14  23
TORSDOF 1