REMARK  Name = BDB061876
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.840  -0.154  -0.281  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1        2.144   0.011   0.236  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1        3.200  -0.378  -0.574  0.00  0.00    +0.143 A 
ATOM      4  N   LIG    1        4.368  -0.142   0.096  0.00  0.00    -0.346 N 
ATOM      5  H   LIG    1        5.282  -0.342  -0.284  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1        4.095   0.393   1.329  0.00  0.00    +0.085 A 
ATOM      7  N   LIG    1        3.125  -0.898  -1.806  0.00  0.00    -0.218 NA
ATOM      8  C   LIG    1        1.850  -1.014  -2.205  0.00  0.00    +0.225 A 
ATOM      9  C   LIG    1        2.724   0.500   1.445  0.00  0.00    +0.032 A 
ATOM     10  N   LIG    1        0.733  -0.680  -1.529  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -0.283   0.214   0.475  0.00  0.00    -0.299 N 
ATOM     12  H   LIG    1       -0.036   0.588   1.381  0.00  0.00    +0.154 HD
BRANCH  11  16
ATOM     13 BR   LIG    1       -5.071   1.231   2.398  0.00  0.00    -0.050 Br
ATOM     14  C   LIG    1       -3.926   0.602   1.030  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.542   0.625   1.222  0.00  0.00    +0.038 A 
ATOM     16  C   LIG    1       -1.665   0.165   0.224  0.00  0.00    +0.033 A 
ATOM     17  C   LIG    1       -2.229  -0.316  -0.963  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1       -3.616  -0.339  -1.154  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1       -4.469   0.121  -0.155  0.00  0.00    +0.015 A 
ENDBRANCH  11  16
ENDBRANCH   1  11
TORSDOF 2