REMARK  Name = BDB035256
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.363   2.193  -1.956  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1       -0.236   2.076  -3.269  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        0.709   3.478  -1.393  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1  11
ATOM      4  O   LIG    1       -3.268  -3.236   0.989  0.00  0.00    -0.174 OA
ATOM      5  S   LIG    1       -3.967  -1.977   0.799  0.00  0.00    -0.023 S 
ATOM      6  C   LIG    1       -3.451  -1.288  -0.769  0.00  0.00    +0.201 C 
ATOM      7  C   LIG    1       -2.434  -0.264  -0.372  0.00  0.00    -0.020 A 
ATOM      8  C   LIG    1       -2.344   0.020   0.999  0.00  0.00    -0.022 A 
ATOM      9  C   LIG    1       -1.459   0.993   1.464  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -0.646   1.670   0.556  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1       -0.713   1.357  -0.808  0.00  0.00    +0.109 A 
ATOM     12  C   LIG    1       -1.624   0.408  -1.286  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1       -3.254  -0.758   1.899  0.00  0.00    +0.201 C 
ATOM     14  O   LIG    1       -5.413  -1.901   0.887  0.00  0.00    -0.174 OA
ENDBRANCH   1  11
BRANCH   1  15
ATOM     15  N   LIG    1        1.724   1.197  -1.981  0.00  0.00    -0.214 N 
ATOM     16  H   LIG    1        1.717   0.504  -2.725  0.00  0.00    +0.174 HD
BRANCH  15  17
ATOM     17  C   LIG    1        2.411   0.921  -0.771  0.00  0.00    +0.072 A 
ATOM     18  C   LIG    1        2.290  -0.323  -0.128  0.00  0.00    +0.072 A 
ATOM     19  C   LIG    1        2.904  -0.601   1.107  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1        2.535  -1.943   1.440  0.00  0.00    +0.067 A 
ATOM     21  C   LIG    1        1.728  -2.429   0.438  0.00  0.00    +0.103 A 
ATOM     22 CL   LIG    1        2.975  -2.829   2.824  0.00  0.00    -0.081 Cl
ATOM     23  C   LIG    1        3.671   0.439   1.682  0.00  0.00    +0.052 A 
ATOM     24 CL   LIG    1        4.436   0.150   3.183  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1        3.800   1.683   1.061  0.00  0.00    +0.022 A 
ATOM     26  N   LIG    1        1.589  -1.449  -0.501  0.00  0.00    -0.358 N 
ATOM     27  H   LIG    1        1.038  -1.532  -1.344  0.00  0.00    +0.165 HD
ATOM     28  C   LIG    1        3.167   1.920  -0.153  0.00  0.00    +0.028 A 
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 3