REMARK  Name = BDB000811
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.067  -0.916  -0.547  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1        1.012  -0.158  -1.027  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        2.322  -0.385  -0.577  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1        2.521  -1.395   0.370  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        1.454  -2.169   0.841  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1        0.160  -1.934   0.382  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -2.482  -0.875  -0.226  0.00  0.00    -0.309 N 
ATOM      8  H   LIG    1       -2.298  -1.081   0.746  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1       -1.426  -0.617  -1.074  0.00  0.00    +0.244 C 
ATOM     10  O   LIG    1       -1.559  -0.133  -2.192  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1       -3.848  -0.562  -0.608  0.00  0.00    +0.132 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -4.164   0.936  -0.539  0.00  0.00    +0.178 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -6.320   1.081   0.456  0.00  0.00    +0.194 C 
ATOM     14  O   LIG    1       -5.557   1.188  -0.738  0.00  0.00    -0.381 OA
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  N   LIG    1        3.341   0.451  -1.070  0.00  0.00    -0.294 N 
ATOM     16  H   LIG    1        3.228   0.670  -2.055  0.00  0.00    +0.154 HD
BRANCH  15  17
ATOM     17  C   LIG    1        4.574   0.730  -0.585  0.00  0.00    +0.163 A 
ATOM     18  S   LIG    1        5.001   0.763   1.095  0.00  0.00    -0.045 S 
ATOM     19  C   LIG    1        6.570   1.245   0.682  0.00  0.00    +0.076 A 
ATOM     20 BR   LIG    1        7.963   1.559   1.940  0.00  0.00    -0.041 Br
ATOM     21  C   LIG    1        6.695   1.388  -0.673  0.00  0.00    +0.136 A 
ATOM     22  N   LIG    1        5.546   1.110  -1.391  0.00  0.00    -0.232 NA
ENDBRANCH  15  17
ENDBRANCH   3  15
TORSDOF 6