REMARK  Name = BDB032581
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.383  -1.871   1.833  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1        1.825  -1.921   2.747  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.249  -1.090   1.721  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1       -0.179  -0.404   2.782  0.00  0.00    -0.061 NA
ATOM      5  O   LIG    1       -1.307   0.275   2.360  0.00  0.00    -0.353 OA
ATOM      6  C   LIG    1       -1.559  -0.016   1.050  0.00  0.00    +0.169 A 
ATOM      7  C   LIG    1       -0.590  -0.887   0.608  0.00  0.00    +0.097 A 
BRANCH   6   8
ATOM      8  C   LIG    1       -2.729   0.617   0.450  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -3.504   1.546   1.162  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -4.621   2.148   0.576  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.981   1.831  -0.731  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -4.225   0.911  -1.452  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.107   0.309  -0.866  0.00  0.00    +0.011 A 
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  15
ATOM     14  O   LIG    1        1.339  -3.195  -0.328  0.00  0.00    -0.150 OA
ATOM     15  S   LIG    1        2.248  -2.515   0.570  0.00  0.00    +0.074 S 
ATOM     16  O   LIG    1        3.392  -3.192   1.142  0.00  0.00    -0.150 OA
BRANCH  15  17
ATOM     17  C   LIG    1        2.866  -1.067  -0.258  0.00  0.00    +0.109 A 
ATOM     18  C   LIG    1        2.440  -0.763  -1.554  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1        2.933   0.378  -2.190  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1        3.850   1.200  -1.531  0.00  0.00    +0.013 A 
ATOM     21  I   LIG    1        4.579   2.899  -2.481  0.00  0.00    -0.044 I 
ATOM     22  C   LIG    1        4.286   0.887  -0.241  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1        3.796  -0.253   0.399  0.00  0.00    +0.030 A 
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 4