REMARK  Name = BDB002793
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.193  -2.866  -0.113  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1       -1.348  -2.029  -0.416  0.00  0.00    +0.255 C 
ATOM      3  N   LIG    1       -1.463  -0.655  -0.283  0.00  0.00    -0.283 N 
ATOM      4  H   LIG    1       -0.674  -0.117  -0.621  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.526   0.074   0.281  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -3.674  -0.511   0.822  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -4.686   0.286   1.368  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -4.546   1.667   1.373  0.00  0.00    +0.124 A 
ATOM      9  F   LIG    1       -5.515   2.430   1.896  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -3.413   2.269   0.842  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1       -2.404   1.472   0.296  0.00  0.00    +0.026 A 
ENDBRANCH   3   5
BRANCH   2  12
ATOM     12  C   LIG    1       -0.036  -2.451  -1.089  0.00  0.00    +0.328 C 
BRANCH  12  13
ATOM     13  O   LIG    1        0.997  -1.461  -1.045  0.00  0.00    -0.452 OA
BRANCH  13  14
ATOM     14  C   LIG    1        1.718  -1.459   0.104  0.00  0.00    +0.341 C 
ATOM     15  O   LIG    1        1.561  -2.174   1.075  0.00  0.00    -0.245 OA
BRANCH  14  16
ATOM     16  C   LIG    1        2.741  -0.409  -0.007  0.00  0.00    +0.073 A 
ATOM     17  C   LIG    1        2.700   0.739   0.789  0.00  0.00    +0.032 A 
ATOM     18 BR   LIG    1        1.297   1.083   2.017  0.00  0.00    -0.049 Br
ATOM     19  C   LIG    1        3.706   1.701   0.661  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1        4.745   1.514  -0.255  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        4.782   0.369  -1.050  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        3.782  -0.596  -0.928  0.00  0.00    +0.016 A 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   2  12
TORSDOF 5