REMARK  Name = BDB032604
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.566  -2.060   1.367  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1       -0.558  -2.172   2.376  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.452  -1.385   0.720  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1        0.503  -1.149  -0.590  0.00  0.00    -0.061 NA
ATOM      5  O   LIG    1        1.670  -0.443  -0.804  0.00  0.00    -0.353 OA
ATOM      6  C   LIG    1        2.320  -0.252   0.380  0.00  0.00    +0.169 A 
ATOM      7  C   LIG    1        1.573  -0.836   1.378  0.00  0.00    +0.097 A 
BRANCH   6   8
ATOM      8  C   LIG    1        3.579   0.484   0.326  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        4.310   0.732   1.499  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        5.518   1.436   1.458  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        6.013   1.903   0.243  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        5.302   1.666  -0.930  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.095   0.962  -0.888  0.00  0.00    +0.011 A 
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  S   LIG    1       -1.867  -2.782   0.615  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1       -1.408  -3.627  -0.466  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1       -2.667  -3.338   1.690  0.00  0.00    -0.150 OA
BRANCH  14  21
ATOM     17  C   LIG    1       -5.088   1.823  -1.683  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1       -4.265   0.707  -1.109  0.00  0.00    -0.050 A 
ATOM     19  C   LIG    1       -3.425  -0.050  -1.937  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -2.683  -1.110  -1.413  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1       -2.777  -1.413  -0.054  0.00  0.00    +0.109 A 
ATOM     22  C   LIG    1       -3.635  -0.687   0.778  0.00  0.00    +0.029 A 
ATOM     23  C   LIG    1       -4.376   0.371   0.248  0.00  0.00    +0.005 A 
ENDBRANCH  14  21
ENDBRANCH   1  14
TORSDOF 4