REMARK  Name = BDB052547
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.556   0.180   2.419  0.00  0.00    -0.262 OA
ATOM      2  C   LIG    1        0.789  -0.137   1.525  0.00  0.00    +0.286 C 
ATOM      3  N   LIG    1        1.039  -0.967   0.466  0.00  0.00    -0.224 N 
ATOM      4  C   LIG    1       -0.044  -1.338  -0.295  0.00  0.00    +0.261 C 
ATOM      5  O   LIG    1       -0.058  -2.191  -1.172  0.00  0.00    -0.269 OA
ATOM      6  C   LIG    1       -1.245  -0.568   0.119  0.00  0.00    +0.080 C 
ATOM      7  C   LIG    1       -2.423  -0.701  -0.504  0.00  0.00    +0.029 C 
ATOM      8  S   LIG    1       -0.869   0.438   1.460  0.00  0.00    -0.026 S 
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -3.652   0.013  -0.135  0.00  0.00    -0.005 A 
ATOM     10  C   LIG    1       -4.556  -0.475   0.824  0.00  0.00    +0.050 A 
ATOM     11 CL   LIG    1       -4.293  -1.981   1.634  0.00  0.00    -0.083 Cl
ATOM     12  C   LIG    1       -5.706   0.248   1.149  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1       -5.957   1.463   0.516  0.00  0.00    +0.042 A 
ATOM     14 CL   LIG    1       -7.372   2.357   0.913  0.00  0.00    -0.083 Cl
ATOM     15  C   LIG    1       -5.071   1.961  -0.438  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -3.921   1.238  -0.763  0.00  0.00    +0.011 A 
ENDBRANCH   7   9
BRANCH   3  17
ATOM     17  C   LIG    1        2.327  -1.618   0.304  0.00  0.00    +0.157 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.476  -0.666   0.075  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        3.564   0.198  -1.026  0.00  0.00    +0.048 A 
ATOM     20 CL   LIG    1        2.348   0.250  -2.251  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1        4.661   1.057  -1.179  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        5.692   1.060  -0.240  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        5.628   0.199   0.849  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1        4.534  -0.652   0.994  0.00  0.00    +0.129 A 
ATOM     25  F   LIG    1        4.516  -1.484   2.045  0.00  0.00    -0.205 F 
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 3