REMARK  Name = BDB009298
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.775   3.040  -1.143  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -1.768   2.381  -0.907  0.00  0.00    +0.268 A 
ATOM      3  C   LIG    1       -1.847   0.985  -0.402  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -3.229   0.418  -0.227  0.00  0.00    +0.041 C 
ATOM      5  C   LIG    1       -3.243  -0.909   0.536  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -2.110  -1.817   0.072  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1       -0.749  -1.148   0.286  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -0.722   0.294  -0.145  0.00  0.00    -0.011 A 
ATOM      9  C   LIG    1        0.562   1.022  -0.372  0.00  0.00    +0.095 A 
ATOM     10  N   LIG    1        0.657   2.228  -0.840  0.00  0.00    -0.171 NA
ATOM     11  N   LIG    1       -0.507   2.876  -1.109  0.00  0.00    -0.242 N 
ATOM     12  H   LIG    1       -0.431   3.826  -1.454  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1        1.826   0.322  -0.050  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        2.139   0.003   1.275  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        3.346  -0.639   1.552  0.00  0.00    +0.054 A 
ATOM     16 BR   LIG    1        3.766  -1.090   3.340  0.00  0.00    -0.047 Br
ATOM     17  C   LIG    1        4.231  -0.941   0.517  0.00  0.00    +0.137 A 
ATOM     18  F   LIG    1        5.394  -1.560   0.768  0.00  0.00    -0.204 F 
ATOM     19  C   LIG    1        3.928  -0.602  -0.799  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1        2.723   0.039  -1.087  0.00  0.00    +0.013 A 
ENDBRANCH   9  13
TORSDOF 1