REMARK  Name = BDB055412
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.540  -1.744   0.976  0.00  0.00    +0.192 C 
ENDROOT
BRANCH   1   2
ATOM      2  S   LIG    1        1.038  -0.310   1.903  0.00  0.00    +0.015 S 
ATOM      3  O   LIG    1        0.036   0.729   1.712  0.00  0.00    -0.168 OA
ATOM      4  O   LIG    1        1.404  -0.734   3.243  0.00  0.00    -0.168 OA
BRANCH   2   5
ATOM      5  C   LIG    1        2.527   0.261   1.113  0.00  0.00    +0.176 A 
ATOM      6  N   LIG    1        3.132  -0.647   0.305  0.00  0.00    -0.236 NA
ATOM      7  C   LIG    1        4.256  -0.226  -0.318  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1        4.789   1.052  -0.183  0.00  0.00    +0.073 A 
ATOM      9  C   LIG    1        4.126   1.953   0.661  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1        2.966   1.557   1.322  0.00  0.00    +0.048 A 
BRANCH   8  11
ATOM     11  C   LIG    1        6.054   1.411  -0.903  0.00  0.00    +0.419 C 
ATOM     12  F   LIG    1        7.162   0.959  -0.257  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1        6.113   0.888  -2.159  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1        6.225   2.753  -1.050  0.00  0.00    -0.166 F 
ENDBRANCH   8  11
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -0.771  -2.298   1.508  0.00  0.00    +0.127 C 
BRANCH  15  18
ATOM     16  O   LIG    1       -2.116  -2.341  -0.973  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1       -2.463  -1.533  -0.120  0.00  0.00    +0.244 C 
ATOM     18  N   LIG    1       -1.917  -1.484   1.143  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -2.221  -0.776   1.801  0.00  0.00    +0.149 HD
BRANCH  17  20
ATOM     20  C   LIG    1       -3.527  -0.539  -0.423  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1       -4.535  -0.903  -1.325  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1       -5.551   0.003  -1.648  0.00  0.00    +0.037 A 
ATOM     23 BR   LIG    1       -6.885  -0.578  -2.869  0.00  0.00    -0.049 Br
ATOM     24  C   LIG    1       -5.555   1.281  -1.078  0.00  0.00    +0.055 A 
ATOM     25 CL   LIG    1       -6.772   2.457  -1.425  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1       -4.537   1.649  -0.192  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1       -3.521   0.745   0.134  0.00  0.00    +0.014 A 
ENDBRANCH  17  20
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 6