REMARK  Name = BDB059825
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.887  -0.846   1.871  0.00  0.00    -0.198 N 
ATOM      2  H   LIG    1       -0.462  -0.817   2.792  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   7
ATOM      3  O   LIG    1        2.571   0.860  -2.421  0.00  0.00    -0.272 OA
ATOM      4  C   LIG    1        2.592   0.638  -1.211  0.00  0.00    +0.236 C 
ATOM      5  N   LIG    1        1.387   0.211  -0.630  0.00  0.00    -0.274 N 
ATOM      6  C   LIG    1        1.122  -0.072   0.694  0.00  0.00    +0.140 A 
ATOM      7  C   LIG    1       -0.192  -0.476   0.740  0.00  0.00    +0.156 A 
ATOM      8  N   LIG    1       -0.756  -0.403  -0.496  0.00  0.00    -0.219 NA
ATOM      9  C   LIG    1        0.204  -0.005  -1.299  0.00  0.00    +0.208 A 
BRANCH   4  10
ATOM     10  C   LIG    1        3.829   0.798  -0.287  0.00  0.00    +0.078 C 
ATOM     11  C   LIG    1        5.178   1.191  -0.955  0.00  0.00    +0.013 C 
ATOM     12  C   LIG    1        5.879   0.281   0.069  0.00  0.00    +0.001 C 
ATOM     13  C   LIG    1        4.555  -0.497   0.176  0.00  0.00    +0.013 C 
ENDBRANCH   4  10
ENDBRANCH   1   7
BRANCH   1  14
ATOM     14  S   LIG    1       -2.329  -1.707   1.828  0.00  0.00    +0.077 S 
ATOM     15  O   LIG    1       -2.720  -1.834   3.219  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1       -2.106  -2.876   1.005  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -3.501  -0.607   1.083  0.00  0.00    +0.152 A 
ATOM     18  C   LIG    1       -4.554  -1.095   0.310  0.00  0.00    +0.162 A 
ATOM     19  C   LIG    1       -5.431  -0.192  -0.304  0.00  0.00    +0.085 A 
ATOM     20 CL   LIG    1       -6.739  -0.770  -1.273  0.00  0.00    -0.080 Cl
ATOM     21  C   LIG    1       -5.275   1.184  -0.139  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1       -4.236   1.659   0.656  0.00  0.00    +0.021 A 
ATOM     23 BR   LIG    1       -4.018   3.521   0.900  0.00  0.00    -0.050 Br
ATOM     24  C   LIG    1       -3.353   0.776   1.274  0.00  0.00    +0.048 A 
BRANCH  18  25
ATOM     25  O   LIG    1       -4.759  -2.439   0.179  0.00  0.00    -0.503 OA
ATOM     26  H   LIG    1       -5.489  -2.583  -0.451  0.00  0.00    +0.292 HD
ENDBRANCH  18  25
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 5