REMARK  Name = BDB002088
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.333   1.699  -1.311  0.00  0.00    -0.217 N 
ATOM      2  H   LIG    1        1.049   2.045  -0.664  0.00  0.00    +0.173 HD
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1       -3.016   0.157  -0.582  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1       -1.922   0.652  -1.298  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1       -0.799   1.138  -0.629  0.00  0.00    +0.093 A 
ATOM      6  C   LIG    1       -0.793   1.194   0.779  0.00  0.00    +0.143 A 
ATOM      7  C   LIG    1       -1.886   0.699   1.492  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -2.991   0.174   0.812  0.00  0.00    +0.049 A 
BRANCH   3  10
ATOM      9  C   LIG    1       -5.214  -0.753  -0.688  0.00  0.00    +0.277 C 
ATOM     10  O   LIG    1       -4.041  -0.312  -1.358  0.00  0.00    -0.495 OA
ENDBRANCH   3  10
BRANCH   6  11
ATOM     11  O   LIG    1        0.336   1.741   1.341  0.00  0.00    -0.493 OA
ATOM     12  C   LIG    1        0.412   1.764   2.760  0.00  0.00    +0.277 C 
ENDBRANCH   6  11
ENDBRANCH   1   5
BRANCH   1  13
ATOM     13  S   LIG    1        1.014   0.973  -2.657  0.00  0.00    +0.047 S 
ATOM     14  O   LIG    1        0.006   0.839  -3.690  0.00  0.00    -0.155 OA
ATOM     15  O   LIG    1        2.225   1.719  -2.941  0.00  0.00    -0.155 OA
BRANCH  13  16
ATOM     16  C   LIG    1        1.475  -0.685  -2.121  0.00  0.00    +0.223 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.254  -0.681  -0.830  0.00  0.00    -0.025 A 
ATOM     18  C   LIG    1        1.720  -1.301   0.311  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        2.437  -1.329   1.509  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        3.699  -0.746   1.580  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.249  -0.143   0.451  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        3.535  -0.118  -0.749  0.00  0.00    +0.005 A 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  13
TORSDOF 6