REMARK  Name = BDB035268
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.039   2.946  -1.163  0.00  0.00    -0.150 OA
ATOM      2  S   LIG    1        0.210   2.756   0.009  0.00  0.00    +0.073 S 
ATOM      3  O   LIG    1       -0.611   3.829   0.525  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -0.843   1.354  -0.264  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1       -1.948   1.161   0.568  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1       -2.773   0.058   0.358  0.00  0.00    +0.165 A 
ATOM      7  O   LIG    1       -3.842  -0.062   1.210  0.00  0.00    -0.485 OA
ATOM      8  C   LIG    1       -4.806  -1.000   0.719  0.00  0.00    +0.270 C 
ATOM      9  C   LIG    1       -4.115  -2.264   0.240  0.00  0.00    +0.270 C 
ATOM     10  O   LIG    1       -3.266  -1.976  -0.874  0.00  0.00    -0.484 OA
ATOM     11  C   LIG    1       -2.492  -0.862  -0.663  0.00  0.00    +0.176 A 
ATOM     12  C   LIG    1       -1.397  -0.637  -1.506  0.00  0.00    +0.065 A 
ATOM     13 BR   LIG    1       -0.972  -1.831  -2.919  0.00  0.00    -0.046 Br
ATOM     14  C   LIG    1       -0.573   0.473  -1.315  0.00  0.00    +0.048 A 
ENDBRANCH   2   4
BRANCH   2  15
ATOM     15  N   LIG    1        1.191   2.258   1.288  0.00  0.00    -0.214 N 
ATOM     16  H   LIG    1        0.819   2.572   2.184  0.00  0.00    +0.174 HD
BRANCH  15  17
ATOM     17  C   LIG    1        1.846   0.994   1.251  0.00  0.00    +0.072 A 
ATOM     18  C   LIG    1        2.747   0.610   0.242  0.00  0.00    +0.072 A 
ATOM     19  C   LIG    1        3.380  -0.647   0.219  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1        4.204  -0.657  -0.952  0.00  0.00    +0.067 A 
ATOM     21  C   LIG    1        4.063   0.553  -1.588  0.00  0.00    +0.103 A 
ATOM     22 CL   LIG    1        5.201  -1.918  -1.511  0.00  0.00    -0.081 Cl
ATOM     23  C   LIG    1        3.069  -1.532   1.276  0.00  0.00    +0.052 A 
ATOM     24 CL   LIG    1        3.805  -3.074   1.290  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1        2.185  -1.172   2.295  0.00  0.00    +0.022 A 
ATOM     26  N   LIG    1        3.196   1.312  -0.858  0.00  0.00    -0.358 N 
ATOM     27  H   LIG    1        2.865   2.240  -1.109  0.00  0.00    +0.165 HD
ATOM     28  C   LIG    1        1.585   0.082   2.281  0.00  0.00    +0.028 A 
ENDBRANCH  15  17
ENDBRANCH   2  15
TORSDOF 3