REMARK  Name = BDB002754
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.376   2.328  -0.247  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1       -0.332   3.327   0.523  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        1.122   2.678  -1.435  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   6
ATOM      4  C   LIG    1       -2.755  -0.232  -0.139  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -1.825   0.751   0.218  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -0.809   1.074  -0.687  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1       -0.733   0.449  -1.937  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1       -1.670  -0.526  -2.282  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -2.683  -0.873  -1.385  0.00  0.00    +0.033 A 
BRANCH   4  11
ATOM     10  O   LIG    1       -4.755  -1.285   0.382  0.00  0.00    -0.126 OA
ATOM     11  N   LIG    1       -3.811  -0.606   0.808  0.00  0.00    +0.056 N 
ATOM     12  O   LIG    1       -3.684  -0.228   1.981  0.00  0.00    -0.126 OA
ENDBRANCH   4  11
ENDBRANCH   1   6
BRANCH   1  13
ATOM     13  N   LIG    1        1.388   1.522   0.835  0.00  0.00    -0.216 N 
ATOM     14  H   LIG    1        1.118   1.662   1.807  0.00  0.00    +0.174 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.004   0.294   0.463  0.00  0.00    +0.051 A 
ATOM     16  C   LIG    1        2.848   0.212  -0.638  0.00  0.00    +0.044 A 
ATOM     17  C   LIG    1        3.391  -1.022  -0.947  0.00  0.00    +0.112 A 
ATOM     18  N   LIG    1        3.147  -2.146  -0.240  0.00  0.00    -0.263 NA
ATOM     19  C   LIG    1        2.337  -2.030   0.833  0.00  0.00    +0.112 A 
ATOM     20  C   LIG    1        1.747  -0.841   1.225  0.00  0.00    +0.044 A 
ENDBRANCH  13  15
ENDBRANCH   1  13
TORSDOF 4