REMARK  Name = BDB056469
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.275  -1.805   1.751  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -2.635  -0.724   0.770  0.00  0.00    -0.024 A 
ATOM      3  C   LIG    1       -1.628  -0.006   0.100  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -2.007   0.994  -0.804  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1       -0.935   1.727  -1.495  0.00  0.00    +0.259 A 
ATOM      6  N   LIG    1        0.345   1.373  -1.155  0.00  0.00    -0.306 N 
ATOM      7  H   LIG    1        1.065   1.850  -1.676  0.00  0.00    +0.170 HD
ATOM      8  C   LIG    1        0.641   0.374  -0.258  0.00  0.00    +0.141 A 
ATOM      9  O   LIG    1       -1.165   2.596  -2.329  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1       -3.350   1.290  -1.053  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -4.341   0.576  -0.385  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1       -0.276  -0.309   0.350  0.00  0.00    -0.229 NA
ATOM     13  C   LIG    1       -3.986  -0.425   0.521  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   8  14
ATOM     14  C   LIG    1        2.082   0.087  -0.019  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        2.453  -1.212   0.356  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        3.795  -1.523   0.590  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1        4.766  -0.532   0.457  0.00  0.00    +0.018 A 
ATOM     18 BR   LIG    1        6.582  -0.948   0.774  0.00  0.00    -0.050 Br
ATOM     19  C   LIG    1        4.407   0.767   0.099  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1        3.063   1.080  -0.136  0.00  0.00    +0.012 A 
ENDBRANCH   8  14
TORSDOF 1