REMARK  Name = BDB000814
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.695   0.448  -0.537  0.00  0.00    -0.294 N 
ATOM      2  H   LIG    1        0.627   1.210  -1.197  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1       -1.662   2.088  -1.037  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -1.702   0.823  -0.219  0.00  0.00    -0.029 A 
ATOM      5  C   LIG    1       -0.543   0.037   0.003  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1       -0.680  -1.113   0.796  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1       -1.912  -1.493   1.337  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -3.042  -0.723   1.101  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -2.938   0.429   0.328  0.00  0.00    +0.005 A 
ENDBRANCH   1   5
BRANCH   1  10
ATOM     10  C   LIG    1        1.935  -0.070  -0.368  0.00  0.00    +0.163 A 
ATOM     11  S   LIG    1        3.241   0.633  -1.276  0.00  0.00    -0.045 S 
ATOM     12  C   LIG    1        4.318  -0.457  -0.556  0.00  0.00    +0.076 A 
ATOM     13 BR   LIG    1        6.185  -0.519  -0.918  0.00  0.00    -0.041 Br
ATOM     14  C   LIG    1        3.665  -1.283   0.320  0.00  0.00    +0.136 A 
ATOM     15  N   LIG    1        2.305  -1.055   0.423  0.00  0.00    -0.232 NA
ENDBRANCH   1  10
TORSDOF 2