REMARK  Name = BDB030209
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.628   0.779  -0.218  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.309   1.718  -0.607  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.193   2.712  -0.400  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.378  -0.425  -0.205  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.297   0.712   0.740  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -2.998   0.325   0.363  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -1.971   1.270   0.183  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -2.248   2.619   0.390  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -1.286   3.542   0.224  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -3.526   3.022   0.773  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -3.872   4.690   1.039  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -4.542   2.079   0.947  0.00  0.00    +0.031 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -5.985  -3.591   2.722  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1       -6.194  -2.393   1.843  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1       -5.184  -1.430   1.697  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -5.370  -0.285   0.901  0.00  0.00    -0.018 A 
ATOM     17  C   LIG    1       -6.609  -0.123   0.260  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -7.627  -1.068   0.410  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -7.422  -2.195   1.203  0.00  0.00    +0.003 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  N   LIG    1        1.748   1.233  -0.705  0.00  0.00    -0.112 NA
ATOM     21  H   LIG    1        1.800   0.197  -0.697  0.00  0.00    +0.171 HD
BRANCH  20  22
ATOM     22  S   LIG    1        2.783   1.889   0.478  0.00  0.00    +0.047 S 
ATOM     23  O   LIG    1        2.442   1.299   1.755  0.00  0.00    -0.157 OA
ATOM     24  O   LIG    1        2.753   3.328   0.303  0.00  0.00    -0.157 OA
BRANCH  22  25
ATOM     25  C   LIG    1        4.376   1.286  -0.052  0.00  0.00    +0.219 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.475  -0.228   0.085  0.00  0.00    +0.155 C 
ATOM     27  O   LIG    1        3.661  -0.845  -0.936  0.00  0.00    -0.372 OA
ATOM     28  C   LIG    1        4.407  -1.554  -1.936  0.00  0.00    +0.175 C 
ATOM     29  C   LIG    1        5.670  -0.788  -2.352  0.00  0.00    +0.112 C 
ATOM     30  N   LIG    1        6.619  -0.671  -1.234  0.00  0.00    -0.301 NA
ATOM     31  C   LIG    1        7.520   0.460  -1.394  0.00  0.00    +0.105 C 
ATOM     32  C   LIG    1        5.945  -0.713   0.072  0.00  0.00    +0.117 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   2  20
TORSDOF 6