REMARK  Name = BDB056951
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.661  -2.312   2.272  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1        0.392  -1.484   1.401  0.00  0.00    +0.280 C 
ATOM      3  N   LIG    1       -0.912  -1.452   0.875  0.00  0.00    -0.176 N 
ATOM      4  C   LIG    1       -1.560  -0.487   0.113  0.00  0.00    +0.098 A 
ATOM      5  C   LIG    1       -2.790  -1.077  -0.169  0.00  0.00    +0.113 A 
ATOM      6  C   LIG    1       -3.731  -0.395  -0.955  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1       -3.415   0.884  -1.424  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -2.193   1.475  -1.107  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1       -2.870  -2.299   0.426  0.00  0.00    -0.129 NA
ATOM     10  C   LIG    1       -1.241   0.807  -0.327  0.00  0.00    +0.030 A 
ATOM     11  N   LIG    1       -1.745  -2.505   1.093  0.00  0.00    -0.057 NA
ENDROOT
BRANCH   2  12
ATOM     12  C   LIG    1        1.484  -0.586   0.976  0.00  0.00    +0.041 A 
ATOM     13  C   LIG    1        2.201   0.118   1.950  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        3.251   0.956   1.568  0.00  0.00    +0.016 A 
ATOM     15  C   LIG    1        3.588   1.070   0.219  0.00  0.00    +0.018 A 
ATOM     16 BR   LIG    1        5.009   2.205  -0.298  0.00  0.00    -0.050 Br
ATOM     17  C   LIG    1        2.893   0.347  -0.752  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        1.842  -0.491  -0.374  0.00  0.00    +0.014 A 
ENDBRANCH   2  12
TORSDOF 1