REMARK  Name = BDB058876
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.644  -2.229   0.451  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -1.800  -1.067   0.081  0.00  0.00    +0.262 C 
ATOM      3  N   LIG    1       -0.740  -0.306  -0.378  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1       -0.802   0.716  -0.387  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -3.143  -0.431   0.130  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1       -3.366   0.893  -0.251  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1       -2.346   1.656  -0.677  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1       -4.649   1.440  -0.188  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1       -4.927   3.073  -0.660  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -5.723   0.668   0.257  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -5.511  -0.655   0.642  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -4.227  -1.203   0.578  0.00  0.00    +0.016 A 
ENDBRANCH   2   5
BRANCH   3  13
ATOM     13  N   LIG    1        0.660  -0.864  -0.064  0.00  0.00    -0.108 NA
ATOM     14  H   LIG    1        0.577  -1.839   0.267  0.00  0.00    +0.172 HD
BRANCH  13  15
ATOM     15  S   LIG    1        1.498   0.028   1.136  0.00  0.00    +0.074 S 
ATOM     16  O   LIG    1        0.950   1.370   1.142  0.00  0.00    -0.152 OA
ATOM     17  O   LIG    1        1.528  -0.790   2.328  0.00  0.00    -0.152 OA
BRANCH  15  18
ATOM     18  C   LIG    1        3.127   0.090   0.441  0.00  0.00    +0.107 A 
ATOM     19  C   LIG    1        3.416   1.044  -0.540  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        4.702   1.109  -1.075  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        5.691   0.232  -0.624  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        5.400  -0.710   0.364  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        4.116  -0.782   0.904  0.00  0.00    +0.028 A 
ENDBRANCH  15  18
ENDBRANCH  13  15
ENDBRANCH   3  13
TORSDOF 4