REMARK  Name = BDB059562
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.142   1.036  -1.934  0.00  0.00    -0.213 N 
ATOM      2  H   LIG    1        0.691   1.304  -2.752  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.867   0.932  -0.706  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1        0.552   1.813   0.329  0.00  0.00    +0.139 A 
ATOM      5  C   LIG    1        1.240   1.770   1.531  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        2.264   0.834   1.696  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1        2.613  -0.066   0.671  0.00  0.00    -0.042 A 
ATOM      8  C   LIG    1        1.904   0.015  -0.542  0.00  0.00    +0.032 A 
BRANCH   7   9
ATOM      9  C   LIG    1        3.728  -1.066   0.857  0.00  0.00    +0.019 C 
ATOM     10  C   LIG    1        3.476  -2.534   0.598  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1        3.677  -2.051   2.002  0.00  0.00    +0.009 C 
ENDBRANCH   7   9
BRANCH   4  12
ATOM     12  O   LIG    1       -0.434   2.748   0.174  0.00  0.00    -0.505 OA
ATOM     13  H   LIG    1       -0.742   2.647  -0.746  0.00  0.00    +0.292 HD
ENDBRANCH   4  12
ENDBRANCH   1   3
BRANCH   1  15
ATOM     14  O   LIG    1       -0.305  -1.514  -2.037  0.00  0.00    -0.150 OA
ATOM     15  S   LIG    1       -0.904  -0.237  -2.351  0.00  0.00    +0.076 S 
ATOM     16  O   LIG    1       -1.286   0.056  -3.720  0.00  0.00    -0.150 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -2.331   0.061  -1.339  0.00  0.00    +0.151 A 
ATOM     18  C   LIG    1       -2.399  -0.381  -0.017  0.00  0.00    +0.143 A 
ATOM     19  C   LIG    1       -3.545  -0.138   0.743  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1       -4.627   0.541   0.179  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1       -4.560   0.973  -1.144  0.00  0.00    +0.020 A 
ATOM     22 BR   LIG    1       -6.028   1.889  -1.905  0.00  0.00    -0.050 Br
ATOM     23  C   LIG    1       -3.421   0.735  -1.909  0.00  0.00    +0.047 A 
BRANCH  18  24
ATOM     24  O   LIG    1       -1.353  -1.036   0.558  0.00  0.00    -0.505 OA
ATOM     25  H   LIG    1       -1.548  -1.238   1.488  0.00  0.00    +0.292 HD
ENDBRANCH  18  24
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 6