REMARK  Name = BDB001037
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.318  -2.771   1.171  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -2.639  -1.843   0.744  0.00  0.00    +0.257 A 
ATOM      3  C   LIG    1       -3.258  -0.645   0.095  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -2.433   0.396  -0.379  0.00  0.00    -0.007 A 
ATOM      5  C   LIG    1       -3.024   1.510  -0.983  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -4.415   1.583  -1.112  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -5.224   0.548  -0.640  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -0.990   0.261  -0.215  0.00  0.00    -0.011 A 
ATOM      9  C   LIG    1        0.082   1.228  -0.634  0.00  0.00    +0.073 C 
ATOM     10  C   LIG    1        1.317   0.493  -0.178  0.00  0.00    -0.032 A 
ATOM     11  C   LIG    1        0.956  -0.732   0.418  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        1.917  -1.595   0.920  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        3.260  -1.218   0.820  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        3.611   0.006   0.218  0.00  0.00    +0.117 A 
ATOM     15  C   LIG    1        2.642   0.881  -0.286  0.00  0.00    +0.034 A 
ATOM     16  C   LIG    1       -0.492  -0.835   0.374  0.00  0.00    +0.054 A 
ATOM     17  C   LIG    1       -4.649  -0.569  -0.035  0.00  0.00    +0.014 A 
ATOM     18  N   LIG    1       -1.261  -1.851   0.838  0.00  0.00    -0.321 N 
ATOM     19  H   LIG    1       -0.846  -2.662   1.275  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  14  20
ATOM     20  S   LIG    1        5.322   0.463   0.135  0.00  0.00    +0.110 S 
ATOM     21  O   LIG    1        5.939  -0.337  -0.897  0.00  0.00    -0.142 OA
ATOM     22  O   LIG    1        5.405   1.908   0.145  0.00  0.00    -0.142 OA
BRANCH  20  23
ATOM     23  O   LIG    1        5.934   0.006   1.557  0.00  0.00    -0.250 OA
ATOM     24  H   LIG    1        6.363   0.792   1.956  0.00  0.00    +0.245 HD
ENDBRANCH  20  23
ENDBRANCH  14  20
TORSDOF 2