REMARK  Name = BDB042781
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.104   0.658  -1.432  0.00  0.00    +0.061 C 
ATOM      2  C   LIG    1       -1.405  -0.136  -1.386  0.00  0.00    +0.076 A 
ATOM      3  C   LIG    1       -2.331   0.148  -0.281  0.00  0.00    +0.032 A 
ATOM      4  C   LIG    1       -3.447  -0.665  -0.133  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -3.689  -1.708  -1.139  0.00  0.00    +0.273 A 
ATOM      6  N   LIG    1       -2.780  -1.778  -2.171  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -2.926  -2.499  -2.871  0.00  0.00    +0.192 HD
ATOM      8  O   LIG    1       -4.660  -2.451  -1.057  0.00  0.00    -0.266 OA
ATOM      9  C   LIG    1       -4.317  -0.466   0.938  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1       -4.039   0.552   1.841  0.00  0.00    +0.126 A 
ATOM     11  F   LIG    1       -4.854   0.743   2.886  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -2.933   1.389   1.679  0.00  0.00    +0.062 A 
ATOM     13  C   LIG    1       -2.084   1.224   0.582  0.00  0.00    +0.040 A 
ATOM     14  N   LIG    1       -0.951   2.046   0.432  0.00  0.00    -0.343 N 
ATOM     15  H   LIG    1       -1.094   2.976   0.826  0.00  0.00    +0.146 HD
ATOM     16  N   LIG    1       -1.638  -1.039  -2.290  0.00  0.00    -0.175 NA
ATOM     17  C   LIG    1       -0.432   2.074  -0.938  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  21
ATOM     18  C   LIG    1        4.440   0.937   0.622  0.00  0.00    +0.104 C 
ATOM     19  N   LIG    1        3.501   0.110  -0.130  0.00  0.00    -0.305 NA
ATOM     20  C   LIG    1        2.253   0.838  -0.408  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1        1.008  -0.063  -0.615  0.00  0.00    +0.014 C 
ATOM     22  C   LIG    1        1.439  -1.389  -1.262  0.00  0.00    +0.007 C 
ATOM     23  C   LIG    1        2.504  -2.103  -0.423  0.00  0.00    +0.016 C 
ATOM     24  C   LIG    1        3.258  -1.170   0.527  0.00  0.00    +0.084 C 
ENDBRANCH   1  21
TORSDOF 1