REMARK  Name = BDB054131
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.789   2.245  -0.156  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -1.534   1.049  -0.098  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1       -0.152   0.544  -0.027  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1        0.024  -0.845   0.035  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        1.324  -1.353   0.103  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1        2.421  -0.487   0.108  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1        2.215   0.888   0.046  0.00  0.00    +0.124 A 
ATOM      8  F   LIG    1        3.272   1.711   0.051  0.00  0.00    -0.205 F 
ATOM      9  N   LIG    1       -1.057  -1.743   0.031  0.00  0.00    -0.237 NA
ATOM     10  C   LIG    1       -2.244  -1.246  -0.032  0.00  0.00    +0.199 A 
ATOM     11  C   LIG    1        0.935   1.419  -0.023  0.00  0.00    +0.053 A 
ATOM     12  N   LIG    1       -2.514   0.090  -0.096  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1       -3.466   0.424  -0.144  0.00  0.00    +0.170 HD
ENDROOT
TORSDOF 0