REMARK  Name = BDB060832
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.143  -0.515  -0.385  0.00  0.00    +0.206 A 
ATOM      2  N   LIG    1        1.954  -0.029  -0.846  0.00  0.00    -0.202 NA
ATOM      3  C   LIG    1        1.105  -0.268   0.141  0.00  0.00    +0.158 A 
ATOM      4  N   LIG    1        1.803  -0.896   1.139  0.00  0.00    -0.258 N 
ATOM      5  H   LIG    1        1.460  -1.223   2.035  0.00  0.00    +0.191 HD
ATOM      6  N   LIG    1        3.097  -1.059   0.830  0.00  0.00    -0.146 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.333   0.038   0.144  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1       -1.166   0.081   1.278  0.00  0.00    +0.029 A 
ATOM      9 BR   LIG    1       -0.561  -0.210   3.060  0.00  0.00    -0.050 Br
ATOM     10  C   LIG    1       -2.534   0.376   1.149  0.00  0.00    +0.016 A 
ATOM     11  C   LIG    1       -3.090   0.637  -0.101  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.283   0.609  -1.231  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -0.923   0.316  -1.107  0.00  0.00    +0.012 A 
ENDBRANCH   3   7
BRANCH   1  14
ATOM     14  S   LIG    1        4.605  -0.436  -1.315  0.00  0.00    -0.102 S 
ATOM     15  H   LIG    1        4.065   0.184  -2.370  0.00  0.00    +0.110 HD
ENDBRANCH   1  14
TORSDOF 2