REMARK  Name = BDB018863
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.981   0.165   0.429  0.00  0.00    +0.404 C 
ATOM      2  N   LIG    1       -1.202  -0.893   0.810  0.00  0.00    -0.256 N 
ATOM      3  C   LIG    1        0.192  -0.713   1.189  0.00  0.00    +0.166 C 
ATOM      4  C   LIG    1        0.525  -2.007   1.936  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1       -0.365  -3.045   1.252  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -1.635  -2.270   0.932  0.00  0.00    +0.112 C 
ATOM      7  O   LIG    1       -1.570   1.318   0.395  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.109  -0.555  -0.052  0.00  0.00    +0.240 C 
ATOM      9  N   LIG    1        2.345   0.036   0.185  0.00  0.00    -0.269 N 
ATOM     10  C   LIG    1        3.354   0.248  -0.776  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1        4.448   0.899  -0.196  0.00  0.00    -0.011 A 
ATOM     12  C   LIG    1        5.568   1.210  -0.955  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        5.586   0.872  -2.309  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        4.488   0.221  -2.887  0.00  0.00    +0.003 A 
ATOM     15 BR   LIG    1        7.068   2.072  -0.195  0.00  0.00    -0.050 Br
ATOM     16  C   LIG    1        4.219   1.134   1.262  0.00  0.00    +0.057 C 
ATOM     17  C   LIG    1        3.364  -0.096  -2.119  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        2.767   0.680   1.440  0.00  0.00    +0.118 C 
ATOM     19  O   LIG    1        0.764  -1.011  -1.145  0.00  0.00    -0.273 OA
ENDBRANCH   3   8
BRANCH   1  20
ATOM     20  O   LIG    1       -3.242  -0.228   0.123  0.00  0.00    -0.445 OA
BRANCH  20  22
ATOM     21  C   LIG    1       -5.495  -0.106  -0.583  0.00  0.00    +0.055 C 
ATOM     22  C   LIG    1       -4.231   0.730  -0.331  0.00  0.00    +0.107 C 
ATOM     23  C   LIG    1       -4.541   1.768   0.754  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -3.808   1.386  -1.650  0.00  0.00    +0.055 C 
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 3