REMARK  Name = BDB030206
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.634   2.226   0.220  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.473   1.881   0.974  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.892   2.684   1.439  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.960   3.397   0.056  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.488  -0.117  -0.526  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -2.715   0.891   0.071  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -1.423   1.157  -0.395  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -0.897   0.463  -1.478  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        0.330   0.761  -1.936  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -1.652  -0.536  -2.082  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -1.027  -1.412  -3.426  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -2.935  -0.829  -1.608  0.00  0.00    +0.031 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -8.142   1.392   0.609  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1       -7.107   0.307   0.545  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1       -5.817   0.585   0.069  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -4.841  -0.422  -0.034  0.00  0.00    -0.018 A 
ATOM     17  C   LIG    1       -5.194  -1.726   0.345  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -6.479  -2.016   0.807  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -7.433  -1.005   0.901  0.00  0.00    +0.003 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  N   LIG    1        0.473   0.591   1.760  0.00  0.00    -0.112 NA
ATOM     21  H   LIG    1        0.549   0.690   2.779  0.00  0.00    +0.171 HD
BRANCH  20  22
ATOM     22  S   LIG    1        1.409  -0.734   1.250  0.00  0.00    +0.045 S 
ATOM     23  O   LIG    1        1.908  -1.310   2.481  0.00  0.00    -0.157 OA
ATOM     24  O   LIG    1        0.607  -1.501   0.324  0.00  0.00    -0.157 OA
BRANCH  22  25
ATOM     25  C   LIG    1        2.775   0.035   0.373  0.00  0.00    +0.191 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.694  -0.994  -0.312  0.00  0.00    +0.026 C 
ATOM     27  C   LIG    1        4.587  -0.311  -1.379  0.00  0.00    +0.089 C 
ATOM     28  N   LIG    1        5.971  -0.057  -0.953  0.00  0.00    -0.305 NA
ATOM     29  C   LIG    1        6.613   0.937  -1.808  0.00  0.00    +0.104 C 
ATOM     30  C   LIG    1        6.082   0.285   0.460  0.00  0.00    +0.084 C 
ATOM     31  C   LIG    1        5.627  -0.886   1.339  0.00  0.00    +0.016 C 
ATOM     32  C   LIG    1        4.575  -1.774   0.670  0.00  0.00    +0.007 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   2  20
TORSDOF 6