REMARK  Name = BDB011679
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.123   0.534  -0.407  0.00  0.00    +0.152 A 
ATOM      2  C   LIG    1        0.388   1.974  -0.609  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -0.693   2.847  -0.832  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -0.492   4.219  -1.015  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1        0.801   4.719  -0.982  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1        1.890   3.880  -0.775  0.00  0.00    +0.039 A 
ATOM      7  F   LIG    1        1.006   6.031  -1.158  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -2.067   2.295  -0.894  0.00  0.00    +0.257 A 
ATOM      9  O   LIG    1       -3.043   3.013  -1.077  0.00  0.00    -0.267 OA
ATOM     10  N   LIG    1       -2.187   0.934  -0.745  0.00  0.00    -0.319 N 
ATOM     11  H   LIG    1       -3.128   0.568  -0.832  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1        1.686   2.510  -0.591  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -1.140   0.070  -0.522  0.00  0.00    +0.092 A 
ENDROOT
BRANCH  13  14
ATOM     14  C   LIG    1       -1.479  -1.362  -0.402  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -0.905  -2.310  -1.261  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1       -1.237  -3.658  -1.135  0.00  0.00    +0.019 A 
ATOM     17 BR   LIG    1       -0.448  -4.928  -2.292  0.00  0.00    -0.050 Br
ATOM     18  C   LIG    1       -2.143  -4.079  -0.163  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1       -2.723  -3.143   0.691  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -2.394  -1.790   0.572  0.00  0.00    +0.010 A 
ENDBRANCH  13  14
BRANCH   1  21
ATOM     21  O   LIG    1        1.222  -0.275  -0.191  0.00  0.00    -0.488 OA
BRANCH  21  22
ATOM     22  C   LIG    1        1.430  -0.509   1.212  0.00  0.00    +0.244 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.554  -1.539   1.359  0.00  0.00    +0.119 C 
BRANCH  23  24
ATOM     24  N   LIG    1        2.894  -1.796   2.757  0.00  0.00    -0.327 NA
ATOM     25  H   LIG    1        3.294  -0.957   3.175  0.00  0.00    +0.118 HD
ATOM     26  H   LIG    1        3.627  -2.505   2.797  0.00  0.00    +0.118 HD
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 5