REMARK  Name = BDB002281
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.209   0.340   0.417  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1        1.536   0.347   0.602  0.00  0.00    +0.058 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        2.422  -0.217  -0.449  0.00  0.00    +0.189 C 
ATOM      4  O   LIG    1        1.991  -0.542  -1.552  0.00  0.00    -0.287 OA
BRANCH   3   5
ATOM      5  C   LIG    1        3.874  -0.331  -0.173  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1        4.389  -0.588   1.098  0.00  0.00    +0.134 A 
ATOM      7  F   LIG    1        3.583  -0.769   2.153  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1        5.764  -0.694   1.303  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1        6.642  -0.552   0.229  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        6.140  -0.312  -1.050  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.762  -0.207  -1.253  0.00  0.00    +0.014 A 
ENDBRANCH   3   5
ENDBRANCH   2   3
BRANCH   1  12
ATOM     12  S   LIG    1       -0.859   1.008   1.609  0.00  0.00    -0.058 S 
BRANCH  12  16
ATOM     13  C   LIG    1       -5.603   2.457   0.455  0.00  0.00    +0.066 C 
ATOM     14  C   LIG    1       -4.568   1.374   0.392  0.00  0.00    +0.043 A 
ATOM     15  N   LIG    1       -3.364   1.637   0.935  0.00  0.00    -0.227 NA
ATOM     16  C   LIG    1       -2.442   0.662   0.871  0.00  0.00    +0.193 A 
ATOM     17  N   LIG    1       -2.642  -0.548   0.319  0.00  0.00    -0.227 NA
ATOM     18  C   LIG    1       -3.855  -0.781  -0.217  0.00  0.00    +0.043 A 
ATOM     19  C   LIG    1       -4.085  -2.124  -0.841  0.00  0.00    +0.066 C 
ATOM     20  C   LIG    1       -4.862   0.163  -0.203  0.00  0.00    +0.046 A 
ENDBRANCH  12  16
ENDBRANCH   1  12
TORSDOF 4