REMARK  Name = BDB022086
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.415  -1.589  -2.305  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -2.855  -0.814  -1.532  0.00  0.00    +0.247 C 
ATOM      3  N   LIG    1       -1.473  -0.637  -1.493  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -0.654  -1.520  -2.319  0.00  0.00    +0.109 C 
ATOM      5  C   LIG    1        0.776  -1.598  -1.806  0.00  0.00    +0.029 C 
ATOM      6  C   LIG    1        1.450  -0.215  -1.785  0.00  0.00    +0.048 C 
ATOM      7  C   LIG    1        0.433   0.933  -1.640  0.00  0.00    +0.029 C 
ATOM      8  C   LIG    1       -0.802   0.502  -0.856  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        2.482  -0.162  -0.683  0.00  0.00    +0.083 A 
ATOM     10  S   LIG    1        4.146  -0.381  -1.043  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1        4.533  -0.194   0.624  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        3.355   0.022   1.341  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1        3.435   0.203   2.737  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        4.679   0.163   3.374  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        5.841  -0.054   2.639  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        5.788  -0.236   1.253  0.00  0.00    +0.017 A 
ATOM     17  N   LIG    1        2.195   0.038   0.585  0.00  0.00    -0.244 NA
ENDBRANCH   6   9
BRANCH   2  18
ATOM     18  C   LIG    1       -3.708  -0.041  -0.599  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1       -3.463  -0.056   0.780  0.00  0.00    +0.014 A 
ATOM     20  C   LIG    1       -4.298   0.662   1.640  0.00  0.00    +0.021 A 
ATOM     21  C   LIG    1       -5.379   1.375   1.121  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1       -6.406   2.258   2.183  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1       -5.641   1.371  -0.249  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1       -4.808   0.655  -1.112  0.00  0.00    +0.014 A 
ENDBRANCH   2  18
TORSDOF 2