REMARK  Name = BDB055817
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.365  -1.164  -0.213  0.00  0.00    +0.052 A 
ATOM      2  C   LIG    1       -0.549   0.215  -0.107  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1        0.517   1.031   0.283  0.00  0.00    +0.088 A 
ATOM      4 CL   LIG    1        0.250   2.732   0.397  0.00  0.00    -0.080 Cl
ATOM      5  C   LIG    1        1.767   0.472   0.558  0.00  0.00    +0.182 A 
ATOM      6  C   LIG    1        1.924  -0.913   0.477  0.00  0.00    +0.169 A 
ATOM      7  F   LIG    1        3.098  -1.482   0.786  0.00  0.00    -0.202 F 
ATOM      8  C   LIG    1        0.868  -1.734   0.091  0.00  0.00    +0.066 A 
ENDROOT
BRANCH   1   9
ATOM      9  N   LIG    1       -1.460  -2.005  -0.552  0.00  0.00    -0.216 N 
ATOM     10  H   LIG    1       -1.284  -2.811  -1.155  0.00  0.00    +0.174 HD
BRANCH   9  12
ATOM     11  O   LIG    1       -3.246  -3.613   0.241  0.00  0.00    -0.150 OA
ATOM     12  S   LIG    1       -2.563  -2.412   0.667  0.00  0.00    +0.074 S 
ATOM     13  O   LIG    1       -1.867  -2.368   1.936  0.00  0.00    -0.150 OA
BRANCH  12  14
ATOM     14  C   LIG    1       -3.734  -1.083   0.629  0.00  0.00    +0.127 A 
ATOM     15  C   LIG    1       -4.489  -0.799  -0.513  0.00  0.00    +0.069 A 
ATOM     16 CL   LIG    1       -4.354  -1.666  -2.000  0.00  0.00    -0.081 Cl
ATOM     17  C   LIG    1       -5.403   0.261  -0.488  0.00  0.00    +0.042 A 
ATOM     18  C   LIG    1       -5.560   1.025   0.667  0.00  0.00    +0.042 A 
ATOM     19 CL   LIG    1       -6.683   2.327   0.684  0.00  0.00    -0.083 Cl
ATOM     20  C   LIG    1       -4.811   0.744   1.807  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -3.899  -0.311   1.791  0.00  0.00    +0.032 A 
ENDBRANCH  12  14
ENDBRANCH   9  12
ENDBRANCH   1   9
BRANCH   5  22
ATOM     22  O   LIG    1        2.797   1.282   0.981  0.00  0.00    -0.450 OA
BRANCH  22  23
ATOM     23  C   LIG    1        3.932   1.282   0.209  0.00  0.00    +0.148 A 
ATOM     24  C   LIG    1        5.158   1.215   0.865  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1        6.327   1.242   0.113  0.00  0.00    +0.063 A 
ATOM     26 CL   LIG    1        7.860   1.145   0.878  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1        6.227   1.351  -1.268  0.00  0.00    +0.131 A 
ATOM     28  N   LIG    1        5.049   1.441  -1.934  0.00  0.00    -0.258 NA
ATOM     29  C   LIG    1        3.927   1.414  -1.177  0.00  0.00    +0.157 A 
ENDBRANCH  22  23
ENDBRANCH   5  22
TORSDOF 5