REMARK  Name = BDB032617
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.223  -1.201  -1.620  0.00  0.00    +0.181 A 
ATOM      2  N   LIG    1        0.191  -2.441  -1.355  0.00  0.00    -0.061 NA
ATOM      3  O   LIG    1        1.289  -2.302  -0.527  0.00  0.00    -0.353 OA
ATOM      4  C   LIG    1        1.537  -0.978  -0.307  0.00  0.00    +0.169 A 
ATOM      5  C   LIG    1        0.595  -0.243  -0.991  0.00  0.00    +0.097 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        2.677  -0.657   0.545  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        3.047   0.680   0.765  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        4.137   1.001   1.582  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1        4.869  -0.016   2.189  0.00  0.00    +0.018 A 
ATOM     10 BR   LIG    1        6.340   0.416   3.293  0.00  0.00    -0.050 Br
ATOM     11  C   LIG    1        4.522  -1.348   1.986  0.00  0.00    +0.016 A 
ATOM     12  C   LIG    1        3.432  -1.665   1.168  0.00  0.00    +0.013 A 
ENDBRANCH   4   6
BRANCH   1  13
ATOM     13  N   LIG    1       -1.325  -1.014  -2.432  0.00  0.00    -0.197 N 
ATOM     14  H   LIG    1       -1.760  -1.843  -2.827  0.00  0.00    +0.175 HD
BRANCH  13  16
ATOM     15  O   LIG    1       -1.223   1.474  -2.902  0.00  0.00    -0.150 OA
ATOM     16  S   LIG    1       -2.163   0.408  -2.624  0.00  0.00    +0.074 S 
ATOM     17  O   LIG    1       -3.270   0.128  -3.512  0.00  0.00    -0.150 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -2.849   0.679  -1.007  0.00  0.00    +0.109 A 
ATOM     19  C   LIG    1       -2.451   1.787  -0.252  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1       -2.997   1.982   1.016  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.936   1.081   1.520  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.340  -0.017   0.757  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -3.800  -0.220  -0.513  0.00  0.00    +0.029 A 
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH   1  13
TORSDOF 4