REMARK  Name = BDB032867
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.645  -0.738   0.012  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1       -0.275  -1.085  -0.085  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1        0.124  -2.426   0.068  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -0.816  -3.412   0.362  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -2.156  -3.068   0.497  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -2.568  -1.744   0.319  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -3.310   2.614  -0.530  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -3.300   1.159  -0.133  0.00  0.00    +0.214 C 
ATOM      9  N   LIG    1       -2.039   0.605  -0.217  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1       -1.290   1.217  -0.549  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1       -4.334   0.592   0.203  0.00  0.00    -0.276 OA
ENDBRANCH   1   9
BRANCH   2  12
ATOM     12  C   LIG    1        0.759  -0.034  -0.354  0.00  0.00    +0.251 C 
ATOM     13  N   LIG    1        1.978  -0.247   0.248  0.00  0.00    -0.261 N 
ATOM     14  H   LIG    1        2.095  -1.001   0.910  0.00  0.00    +0.157 HD
ATOM     15  O   LIG    1        0.435   0.940  -1.026  0.00  0.00    -0.270 OA
BRANCH  13  16
ATOM     16  C   LIG    1        3.100   0.537   0.149  0.00  0.00    +0.167 A 
ATOM     17  S   LIG    1        3.209   1.891  -0.885  0.00  0.00    -0.023 S 
ATOM     18  C   LIG    1        4.798   2.137  -0.356  0.00  0.00    +0.182 A 
ATOM     19  F   LIG    1        5.602   3.126  -0.776  0.00  0.00    -0.196 F 
ATOM     20  C   LIG    1        5.161   1.184   0.560  0.00  0.00    +0.159 A 
ATOM     21  N   LIG    1        4.177   0.254   0.849  0.00  0.00    -0.230 NA
ENDBRANCH  13  16
ENDBRANCH   2  12
TORSDOF 3