REMARK  Name = BDB059548
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.374   2.635   0.639  0.00  0.00    -0.213 N 
ATOM      2  H   LIG    1        0.901   2.859  -0.210  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.784   1.398   1.230  0.00  0.00    +0.093 A 
ATOM      4  C   LIG    1        1.412   0.441   0.420  0.00  0.00    +0.164 A 
ATOM      5  C   LIG    1        1.759  -0.793   0.970  0.00  0.00    +0.132 A 
ATOM      6  C   LIG    1        1.463  -1.081   2.308  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1        0.839  -0.115   3.098  0.00  0.00    +0.045 A 
ATOM      8 CL   LIG    1        0.476  -0.472   4.740  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        0.500   1.127   2.567  0.00  0.00    +0.048 A 
BRANCH   5  10
ATOM     10  S   LIG    1        2.523  -2.053  -0.005  0.00  0.00    -0.002 S 
ATOM     11  O   LIG    1        1.948  -3.319   0.402  0.00  0.00    -0.170 OA
ATOM     12  O   LIG    1        2.442  -1.609  -1.386  0.00  0.00    -0.170 OA
ATOM     13  C   LIG    1        4.225  -2.007   0.493  0.00  0.00    +0.200 C 
ENDBRANCH   5  10
BRANCH   4  14
ATOM     14  O   LIG    1        1.635   0.800  -0.886  0.00  0.00    -0.503 OA
ATOM     15  H   LIG    1        1.868   0.006  -1.421  0.00  0.00    +0.292 HD
ENDBRANCH   4  14
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  S   LIG    1       -1.287   2.833   0.324  0.00  0.00    +0.076 S 
ATOM     17  O   LIG    1       -2.041   2.659   1.546  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -1.389   4.076  -0.417  0.00  0.00    -0.150 OA
BRANCH  16  20
ATOM     19  C   LIG    1       -2.049   0.237  -0.387  0.00  0.00    +0.147 A 
ATOM     20  C   LIG    1       -1.668   1.517  -0.820  0.00  0.00    +0.151 A 
ATOM     21  C   LIG    1       -1.616   1.822  -2.191  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1       -1.919   0.840  -3.128  0.00  0.00    +0.020 A 
ATOM     23 BR   LIG    1       -1.834   1.241  -4.972  0.00  0.00    -0.050 Br
ATOM     24  C   LIG    1       -2.278  -0.438  -2.715  0.00  0.00    +0.019 A 
ATOM     25  C   LIG    1       -2.342  -0.737  -1.350  0.00  0.00    +0.049 A 
BRANCH  19  27
ATOM     26  C   LIG    1       -2.765  -1.159   1.414  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1       -2.053  -0.016   0.954  0.00  0.00    -0.493 OA
ENDBRANCH  19  27
ENDBRANCH  16  20
ENDBRANCH   1  16
TORSDOF 6