REMARK  Name = BDB038857
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  CA  LIG    1        0.570   2.535  -0.478  0.00  0.00    +0.149 A 
ATOM      2  N   LIG    1       -0.680   2.024  -0.343  0.00  0.00    -0.238 NA
ATOM      3  C   LIG    1       -0.846   0.697  -0.115  0.00  0.00    +0.096 A 
ATOM      4  C   LIG    1        0.298  -0.100   0.013  0.00  0.00    +0.074 A 
ATOM      5  N   LIG    1        0.442  -1.440   0.302  0.00  0.00    -0.352 N 
ATOM      6  H   LIG    1       -0.321  -2.074   0.489  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1        1.766  -1.807   0.318  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        2.511  -0.659   0.055  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        3.917  -0.761   0.023  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        4.521  -2.003   0.252  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        3.748  -3.131   0.512  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        2.353  -3.056   0.551  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        1.587   0.418  -0.123  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        1.736   1.787  -0.388  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   3  15
ATOM     15  C   LIG    1       -2.221   0.210  -0.003  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1       -3.161   0.913   0.774  0.00  0.00    +0.051 A 
ATOM     17  C   LIG    1       -4.478   0.467   0.882  0.00  0.00    +0.162 A 
ATOM     18  F   LIG    1       -5.342   1.154   1.640  0.00  0.00    -0.202 F 
ATOM     19  C   LIG    1       -4.891  -0.677   0.217  0.00  0.00    +0.193 A 
ATOM     20  F   LIG    1       -6.155  -1.107   0.329  0.00  0.00    -0.199 F 
ATOM     21  C   LIG    1       -3.982  -1.372  -0.566  0.00  0.00    +0.162 A 
ATOM     22  F   LIG    1       -4.364  -2.476  -1.223  0.00  0.00    -0.202 F 
ATOM     23  C   LIG    1       -2.661  -0.938  -0.685  0.00  0.00    +0.051 A 
ENDBRANCH   3  15
BRANCH   1  25
ATOM     24  O   LIG    1        1.741   4.607  -0.900  0.00  0.00    -0.243 OA
ATOM     25  C   LIG    1        0.695   4.001  -0.739  0.00  0.00    +0.355 C 
BRANCH  25  26
ATOM     26  OXT LIG    1       -0.491   4.640  -0.784  0.00  0.00    -0.476 OA
ATOM     27  HXT LIG    1       -0.264   5.574  -0.962  0.00  0.00    +0.295 HD
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 3