REMARK  Name = BDB027936
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.114   1.452  -1.635  0.00  0.00    +0.130 C 
ATOM      2  N   LIG    1        0.260   0.411  -0.618  0.00  0.00    -0.321 N 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -0.940   0.008   0.156  0.00  0.00    +0.160 C 
ATOM      4  C   LIG    1       -1.896   1.179   0.472  0.00  0.00    +0.240 C 
ATOM      5  O   LIG    1       -1.538   2.340   0.670  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1       -3.231   0.857   0.587  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1       -3.849   1.623   0.817  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -3.821  -0.375   0.464  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -5.025  -0.522   0.651  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -2.904  -1.533   0.159  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1       -1.687  -1.077  -0.625  0.00  0.00    +0.041 C 
ENDBRANCH   2   3
BRANCH   2  12
ATOM     12  C   LIG    1        1.528   0.124  -0.107  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        2.618   0.995  -0.268  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1        3.885   0.684   0.241  0.00  0.00    +0.020 A 
ATOM     15 BR   LIG    1        5.313   1.903   0.006  0.00  0.00    -0.050 Br
ATOM     16  C   LIG    1        4.106  -0.509   0.917  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1        3.051  -1.398   1.079  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1        1.785  -1.083   0.571  0.00  0.00    +0.023 A 
ENDBRANCH   2  12
TORSDOF 2