REMARK  Name = BDB021988
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.118   1.613   1.778  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1        1.548   1.031   0.857  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        0.162   1.117   0.703  0.00  0.00    -0.283 N 
ATOM      4  C   LIG    1       -0.628   0.383  -0.294  0.00  0.00    +0.124 C 
ATOM      5  C   LIG    1       -2.000   1.019  -0.587  0.00  0.00    +0.104 C 
ATOM      6  N   LIG    1       -2.792   1.389   0.603  0.00  0.00    -0.295 NA
ATOM      7  C   LIG    1       -1.955   2.254   1.459  0.00  0.00    +0.104 C 
ATOM      8  C   LIG    1       -0.588   1.660   1.842  0.00  0.00    +0.124 C 
ATOM      9  N   LIG    1        2.191   0.254  -0.082  0.00  0.00    -0.269 N 
ATOM     10  H   LIG    1        1.622  -0.413  -0.572  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        3.583   0.110  -0.266  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        4.013  -0.895  -1.144  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        5.380  -1.109  -1.394  0.00  0.00    +0.057 A 
ATOM     14  C   LIG    1        6.321  -0.283  -0.767  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        5.902   0.725   0.099  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        4.540   0.921   0.346  0.00  0.00    +0.023 A 
BRANCH  13  17
ATOM     17  C   LIG    1        5.820  -2.185  -2.354  0.00  0.00    +0.417 C 
ATOM     18  F   LIG    1        4.987  -3.264  -2.360  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        5.865  -1.743  -3.641  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        7.061  -2.677  -2.083  0.00  0.00    -0.166 F 
ENDBRANCH  13  17
ENDBRANCH   9  11
BRANCH   6  21
ATOM     21  C   LIG    1       -3.298   0.224   1.348  0.00  0.00    +0.121 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.337  -0.566   0.592  0.00  0.00    -0.015 A 
ATOM     23  C   LIG    1       -4.225  -1.946   0.452  0.00  0.00    +0.115 A 
ATOM     24  N   LIG    1       -5.120  -2.721  -0.201  0.00  0.00    -0.263 NA
ATOM     25  C   LIG    1       -6.191  -2.093  -0.733  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1       -6.406  -0.728  -0.642  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -5.465   0.043   0.033  0.00  0.00    +0.008 A 
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 4