REMARK  Name = BDB000776
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.711  -0.922  -0.159  0.00  0.00    -0.294 N 
ATOM      2  H   LIG    1        0.843  -1.928  -0.122  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   7
ATOM      3 CL   LIG    1       -5.033   0.511  -0.674  0.00  0.00    -0.084 Cl
ATOM      4  C   LIG    1       -3.370   0.106  -0.504  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -2.854  -0.999  -1.170  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -1.500  -1.323  -1.027  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1       -0.646  -0.554  -0.218  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1       -1.190   0.557   0.437  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1       -2.545   0.885   0.300  0.00  0.00    +0.022 A 
ENDBRANCH   1   7
BRANCH   1  10
ATOM     10  C   LIG    1        1.806  -0.214   0.203  0.00  0.00    +0.163 A 
ATOM     11  S   LIG    1        2.012   1.491  -0.029  0.00  0.00    -0.045 S 
ATOM     12  C   LIG    1        3.575   1.385   0.610  0.00  0.00    +0.076 A 
ATOM     13 BR   LIG    1        4.749   2.866   0.831  0.00  0.00    -0.041 Br
ATOM     14  C   LIG    1        3.881   0.091   0.935  0.00  0.00    +0.136 A 
ATOM     15  N   LIG    1        2.873  -0.822   0.683  0.00  0.00    -0.232 NA
ENDBRANCH   1  10
TORSDOF 2