REMARK  Name = BDB050000
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.531  -0.374  -1.621  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1       -2.278  -0.329  -0.979  0.00  0.00    +0.083 A 
ATOM      3  C   LIG    1       -1.498   0.837  -1.167  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1       -0.242   0.925  -0.544  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        0.247  -0.112   0.253  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.584  -1.215   0.380  0.00  0.00    +0.120 A 
ATOM      7  C   LIG    1       -1.961   1.900  -1.960  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -3.200   1.833  -2.583  0.00  0.00    +0.001 A 
ATOM      9  N   LIG    1       -1.803  -1.341  -0.203  0.00  0.00    -0.254 NA
ATOM     10  C   LIG    1       -3.982   0.699  -2.414  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        1.557  -0.039   0.914  0.00  0.00    -0.016 A 
ATOM     12  C   LIG    1        2.720   0.266   0.185  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1        3.981   0.334   0.805  0.00  0.00    +0.055 A 
ATOM     14  C   LIG    1        4.071   0.106   2.184  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        2.930  -0.196   2.924  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        1.686  -0.269   2.293  0.00  0.00    +0.008 A 
BRANCH  13  17
ATOM     17  C   LIG    1        5.206   0.683  -0.004  0.00  0.00    +0.417 C 
ATOM     18  F   LIG    1        5.334   2.025  -0.192  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        6.369   0.272   0.573  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        5.193   0.130  -1.249  0.00  0.00    -0.166 F 
ENDBRANCH  13  17
ENDBRANCH   5  11
BRANCH   1  24
ATOM     21  N   LIG    1       -4.070  -2.611  -0.763  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1       -4.684  -3.407  -0.681  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1       -3.169  -2.610  -0.291  0.00  0.00    +0.145 HD
ATOM     24  C   LIG    1       -4.460  -1.541  -1.513  0.00  0.00    +0.244 C 
ATOM     25  O   LIG    1       -5.548  -1.551  -2.079  0.00  0.00    -0.270 OA
ENDBRANCH   1  24
TORSDOF 3