REMARK  Name = BDB032601
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.964   0.543   2.066  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1        0.792   0.107   2.966  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.013   0.554   1.087  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1        0.149   1.040  -0.143  0.00  0.00    -0.061 NA
ATOM      5  O   LIG    1       -1.052   0.836  -0.793  0.00  0.00    -0.353 OA
ATOM      6  C   LIG    1       -1.935   0.221   0.047  0.00  0.00    +0.169 A 
ATOM      7  C   LIG    1       -1.307   0.019   1.256  0.00  0.00    +0.097 A 
BRANCH   6   8
ATOM      8  C   LIG    1       -3.259  -0.069  -0.492  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -4.229  -0.700   0.303  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -5.501  -0.983  -0.204  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.823  -0.640  -1.514  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -4.874  -0.013  -2.318  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.603   0.270  -1.810  0.00  0.00    +0.011 A 
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  S   LIG    1        2.452   1.282   1.937  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1        2.288   2.657   1.524  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        3.151   0.960   3.166  0.00  0.00    -0.150 OA
BRANCH  14  19
ATOM     17  C   LIG    1        4.011   0.234  -1.654  0.00  0.00    +0.054 A 
ATOM     18  C   LIG    1        3.355   0.939  -0.642  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1        3.260   0.379   0.637  0.00  0.00    +0.110 A 
ATOM     20  C   LIG    1        3.842  -0.861   0.921  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1        4.499  -1.560  -0.091  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        4.581  -1.016  -1.376  0.00  0.00    +0.019 A 
BRANCH  17  24
ATOM     23  N   LIG    1        4.190   1.218  -4.048  0.00  0.00    -0.191 NA
ATOM     24  C   LIG    1        4.104   0.784  -2.975  0.00  0.00    +0.099 C 
ENDBRANCH  17  24
ENDBRANCH  14  19
ENDBRANCH   1  14
TORSDOF 5