REMARK  Name = BDB044042
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.138   0.566   0.173  0.00  0.00    +0.081 A 
ATOM      2  C   LIG    1        0.034  -0.252  -0.043  0.00  0.00    +0.136 A 
ATOM      3  O   LIG    1        0.051  -1.625  -0.144  0.00  0.00    -0.491 OA
ATOM      4  C   LIG    1       -1.345  -2.003  -0.066  0.00  0.00    +0.234 C 
ATOM      5  C   LIG    1       -2.203  -0.816  -0.494  0.00  0.00    +0.080 C 
ATOM      6  C   LIG    1       -1.245   0.275  -0.207  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.468   1.639  -0.158  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1       -0.373   2.467   0.072  0.00  0.00    +0.125 A 
ATOM      9  F   LIG    1       -0.558   3.793   0.128  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        0.916   1.951   0.236  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        2.738  -1.276   0.267  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        3.681  -1.624   0.367  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        1.984  -1.927   0.079  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        2.528   0.069   0.346  0.00  0.00    +0.245 C 
ATOM     15  O   LIG    1        3.461   0.836   0.551  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
TORSDOF 1