REMARK  Name = BDB031651
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.189   1.572   2.476  0.00  0.00    -0.214 N 
ATOM      2  H   LIG    1       -0.418   2.550   2.326  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1       -3.236  -2.656   0.005  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -2.457  -1.515   0.606  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -2.142  -0.326  -0.107  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -1.412   0.681   0.541  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1       -1.235   1.705  -0.365  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1       -0.737   2.563  -0.171  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -1.823   1.394  -1.559  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -0.976   0.561   1.867  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1       -1.280  -0.613   2.552  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -2.396   0.147  -1.433  0.00  0.00    +0.077 A 
ATOM     13  C   LIG    1       -2.008  -1.628   1.938  0.00  0.00    +0.006 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -3.108  -0.519  -2.479  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -3.685  -1.058  -3.330  0.00  0.00    -0.191 NA
ENDBRANCH  12  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   LIG    1        1.438   1.286   2.801  0.00  0.00    +0.072 S 
ATOM     17  O   LIG    1        2.010   2.575   3.129  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1        1.568   0.153   3.690  0.00  0.00    -0.150 OA
BRANCH  16  19
ATOM     19  C   LIG    1        2.084   0.812   1.208  0.00  0.00    +0.109 A 
ATOM     20  C   LIG    1        2.567   1.797   0.338  0.00  0.00    +0.031 A 
ATOM     21  C   LIG    1        3.074   1.427  -0.910  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        3.104   0.071  -1.272  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1        2.640  -0.916  -0.391  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1        2.135  -0.543   0.857  0.00  0.00    +0.031 A 
BRANCH  22  25
ATOM     25  N   LIG    1        3.633  -0.317  -2.587  0.00  0.00    +0.056 N 
ATOM     26  O   LIG    1        3.741  -1.527  -2.830  0.00  0.00    -0.126 OA
ATOM     27  O   LIG    1        3.932   0.591  -3.375  0.00  0.00    -0.126 OA
ENDBRANCH  22  25
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5