REMARK  Name = BDB055407
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.040  -1.571   0.626  0.00  0.00    +0.127 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        1.456  -1.541   0.276  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        1.885  -2.423   0.027  0.00  0.00    +0.149 HD
ATOM      4  C   LIG    1        2.059  -0.378  -0.159  0.00  0.00    +0.244 C 
ATOM      5  O   LIG    1        1.490   0.707  -0.187  0.00  0.00    -0.270 OA
BRANCH   4   6
ATOM      6  C   LIG    1        3.465  -0.498  -0.638  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1        3.929   0.435  -1.576  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1        5.242   0.363  -2.050  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        6.093  -0.635  -1.580  0.00  0.00    +0.041 A 
ATOM     10 CL   LIG    1        7.709  -0.725  -2.162  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1        5.645  -1.558  -0.635  0.00  0.00    +0.021 A 
ATOM     12  C   LIG    1        4.332  -1.489  -0.159  0.00  0.00    +0.014 A 
ENDBRANCH   4   6
ENDBRANCH   1   2
BRANCH   1  13
ATOM     13  C   LIG    1       -0.258  -0.822   1.913  0.00  0.00    +0.192 C 
BRANCH  13  14
ATOM     14  S   LIG    1       -1.926  -1.055   2.473  0.00  0.00    +0.015 S 
ATOM     15  O   LIG    1       -2.348  -2.411   2.165  0.00  0.00    -0.168 OA
ATOM     16  O   LIG    1       -1.975  -0.580   3.848  0.00  0.00    -0.168 OA
BRANCH  14  21
ATOM     17  C   LIG    1       -5.095   2.777  -0.875  0.00  0.00    +0.045 C 
ATOM     18  C   LIG    1       -4.364   1.796  -0.014  0.00  0.00    -0.032 A 
ATOM     19  C   LIG    1       -3.219   1.151  -0.476  0.00  0.00    +0.116 A 
ATOM     20  N   LIG    1       -2.493   0.279   0.257  0.00  0.00    -0.237 NA
ATOM     21  C   LIG    1       -2.935   0.054   1.516  0.00  0.00    +0.176 A 
ATOM     22  C   LIG    1       -4.045   0.654   2.088  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1       -4.769   1.543   1.301  0.00  0.00    +0.008 A 
ENDBRANCH  14  21
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 5