REMARK  Name = BDB002797
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.778  -4.075  -0.788  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        1.399  -2.691  -0.404  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1        0.128  -2.055  -0.515  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1        0.337  -0.779  -0.014  0.00  0.00    +0.160 A 
ATOM      5  N   LIG    1       -0.556   0.221   0.082  0.00  0.00    -0.228 NA
ATOM      6  C   LIG    1       -1.799  -0.089  -0.350  0.00  0.00    +0.074 A 
ATOM      7  C   LIG    1       -2.127  -1.342  -0.878  0.00  0.00    +0.041 A 
ATOM      8  N   LIG    1        1.649  -0.733   0.363  0.00  0.00    -0.246 N 
ATOM      9  C   LIG    1       -1.165  -2.372  -0.975  0.00  0.00    +0.069 A 
ATOM     10  N   LIG    1        2.327  -1.874   0.116  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -2.791   1.005  -0.237  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -2.398   2.348  -0.397  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -3.317   3.398  -0.296  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1       -4.652   3.120  -0.027  0.00  0.00    +0.018 A 
ATOM     15 BR   LIG    1       -5.899   4.533   0.111  0.00  0.00    -0.050 Br
ATOM     16  C   LIG    1       -5.073   1.805   0.147  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1       -4.149   0.759   0.045  0.00  0.00    +0.011 A 
ENDBRANCH   6  11
BRANCH   9  18
ATOM     18  C   LIG    1       -1.534  -3.708  -1.552  0.00  0.00    +0.418 C 
ATOM     19  F   LIG    1       -1.305  -4.733  -0.686  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -2.847  -3.805  -1.900  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1       -0.829  -4.002  -2.678  0.00  0.00    -0.166 F 
ENDBRANCH   9  18
BRANCH   8  22
ATOM     22  C   LIG    1        2.345   0.402   0.936  0.00  0.00    +0.153 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.109   1.171  -0.135  0.00  0.00    +0.101 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.923   2.251   0.466  0.00  0.00    +0.150 A 
ATOM     25  N   LIG    1        5.289   2.274   0.456  0.00  0.00    -0.243 N 
ATOM     26  H   LIG    1        5.954   1.618   0.066  0.00  0.00    +0.192 HD
ATOM     27  N   LIG    1        5.730   3.370   1.085  0.00  0.00    -0.047 NA
ATOM     28  N   LIG    1        4.636   4.012   1.471  0.00  0.00    -0.023 NA
ATOM     29  N   LIG    1        3.505   3.329   1.094  0.00  0.00    -0.114 NA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 5