REMARK  Name = BDB000645
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.895   0.763  -0.528  0.00  0.00    +0.045 C 
ATOM      2  C   LIG    1       -1.523   0.230  -0.212  0.00  0.00    -0.036 A 
ATOM      3  C   LIG    1       -1.324  -1.077   0.309  0.00  0.00    +0.023 A 
ATOM      4 BR   LIG    1       -2.788  -2.244   0.643  0.00  0.00    -0.050 Br
ATOM      5  C   LIG    1       -0.041  -1.567   0.602  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        1.028  -0.732   0.365  0.00  0.00    +0.046 A 
ATOM      7  N   LIG    1        2.376  -1.005   0.580  0.00  0.00    -0.278 N 
ATOM      8  H   LIG    1        2.761  -1.865   0.943  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        3.162   0.074   0.226  0.00  0.00    +0.289 C 
ATOM     10  C   LIG    1        2.166   1.159  -0.274  0.00  0.00    +0.249 C 
ATOM     11  O   LIG    1        2.423   2.268  -0.681  0.00  0.00    -0.282 OA
ATOM     12  O   LIG    1        4.367   0.174   0.284  0.00  0.00    -0.266 OA
ATOM     13  C   LIG    1        0.841   0.548  -0.144  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1       -0.408   1.057  -0.441  0.00  0.00    +0.018 A 
ENDROOT
TORSDOF 0