REMARK  Name = BDB000826
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.657   1.137   0.704  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1        0.644   0.104   0.050  0.00  0.00    +0.310 C 
ATOM      3  N   LIG    1        1.762  -0.551  -0.429  0.00  0.00    -0.248 N 
ATOM      4  H   LIG    1        1.651  -1.239  -1.156  0.00  0.00    +0.158 HD
ATOM      5  N   LIG    1       -0.505  -0.584  -0.320  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1       -0.369  -1.514  -0.687  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        3.074  -0.219  -0.209  0.00  0.00    +0.167 A 
ATOM      8  S   LIG    1        3.568   0.932   0.949  0.00  0.00    -0.045 S 
ATOM      9  C   LIG    1        5.183   0.634   0.528  0.00  0.00    +0.076 A 
ATOM     10 BR   LIG    1        6.680   1.507   1.313  0.00  0.00    -0.041 Br
ATOM     11  C   LIG    1        5.259  -0.325  -0.451  0.00  0.00    +0.136 A 
ATOM     12  N   LIG    1        4.037  -0.824  -0.870  0.00  0.00    -0.232 NA
ENDBRANCH   3   7
BRANCH   5  13
ATOM     13  C   LIG    1       -1.847  -0.205  -0.102  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1       -2.838  -1.133  -0.453  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1       -4.192  -0.833  -0.277  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -4.569   0.399   0.248  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.592   1.330   0.594  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -2.237   1.030   0.418  0.00  0.00    +0.023 A 
ENDBRANCH   5  13
TORSDOF 2