REMARK  Name = BDB035260
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.462  -2.657   0.184  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1        0.233  -3.777   0.779  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -1.399  -2.846  -0.903  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1  10
ATOM      4  O   LIG    1        4.471  -0.453   1.790  0.00  0.00    -0.269 OA
ATOM      5  C   LIG    1        4.146  -0.089   0.678  0.00  0.00    +0.265 C 
ATOM      6  C   LIG    1        2.882  -0.430   0.002  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1        2.673   0.320  -1.149  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1        1.542   0.185  -1.935  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1        0.580  -0.738  -1.518  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        0.774  -1.484  -0.335  0.00  0.00    +0.109 A 
ATOM     11  S   LIG    1        4.028   1.373  -1.447  0.00  0.00    +0.075 S 
ATOM     12  O   LIG    1        3.622   2.731  -1.181  0.00  0.00    -0.150 OA
ATOM     13  O   LIG    1        4.691   0.942  -2.651  0.00  0.00    -0.150 OA
ATOM     14  C   LIG    1        1.938  -1.346   0.436  0.00  0.00    +0.044 A 
ATOM     15  N   LIG    1        4.876   0.811  -0.118  0.00  0.00    -0.181 N 
ATOM     16  H   LIG    1        5.521   1.439   0.354  0.00  0.00    +0.177 HD
ENDBRANCH   1  10
BRANCH   1  17
ATOM     17  N   LIG    1       -1.244  -1.860   1.444  0.00  0.00    -0.214 N 
ATOM     18  H   LIG    1       -0.881  -2.140   2.355  0.00  0.00    +0.174 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.704  -0.521   1.292  0.00  0.00    +0.072 A 
ATOM     20  C   LIG    1       -2.600  -0.110   0.290  0.00  0.00    +0.072 A 
ATOM     21  C   LIG    1       -3.037   1.221   0.153  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -3.924   1.238  -0.971  0.00  0.00    +0.067 A 
ATOM     23  C   LIG    1       -4.010  -0.041  -1.469  0.00  0.00    +0.103 A 
ATOM     24 CL   LIG    1       -4.750   2.574  -1.625  0.00  0.00    -0.081 Cl
ATOM     25  C   LIG    1       -2.530   2.153   1.087  0.00  0.00    +0.052 A 
ATOM     26 CL   LIG    1       -3.023   3.784   0.960  0.00  0.00    -0.083 Cl
ATOM     27  C   LIG    1       -1.650   1.768   2.100  0.00  0.00    +0.022 A 
ATOM     28  N   LIG    1       -3.226  -0.845  -0.696  0.00  0.00    -0.358 N 
ATOM     29  H   LIG    1       -3.065  -1.838  -0.849  0.00  0.00    +0.165 HD
ATOM     30  C   LIG    1       -1.248   0.441   2.201  0.00  0.00    +0.028 A 
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 3