REMARK  Name = BDB000623
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.720   0.194   3.063  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -2.755   0.162   2.334  0.00  0.00    +0.289 C 
ATOM      3  C   LIG    1       -2.414  -0.944   1.295  0.00  0.00    +0.249 C 
ATOM      4  O   LIG    1       -3.046  -1.943   1.045  0.00  0.00    -0.282 OA
ATOM      5  C   LIG    1       -1.156  -0.515   0.681  0.00  0.00    +0.052 A 
ATOM      6  C   LIG    1       -0.798   0.688   1.279  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1        0.352   1.348   0.909  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        1.146   0.762  -0.090  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        0.782  -0.460  -0.696  0.00  0.00    +0.131 A 
ATOM     10  C   LIG    1       -0.393  -1.112  -0.302  0.00  0.00    +0.059 A 
ATOM     11  N   LIG    1       -1.727   1.080   2.237  0.00  0.00    -0.278 N 
ATOM     12  H   LIG    1       -1.686   1.915   2.804  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   9  13
ATOM     13  O   LIG    1        1.479  -1.114  -1.673  0.00  0.00    -0.406 OA
BRANCH  13  14
ATOM     14  C   LIG    1        2.685  -0.531  -2.138  0.00  0.00    +0.575 C 
ATOM     15  F   LIG    1        3.584  -0.416  -1.137  0.00  0.00    -0.133 F 
ATOM     16  F   LIG    1        2.456   0.685  -2.679  0.00  0.00    -0.133 F 
ATOM     17  F   LIG    1        3.214  -1.326  -3.092  0.00  0.00    -0.133 F 
ENDBRANCH  13  14
ENDBRANCH   9  13
TORSDOF 2