REMARK  Name = BDB055803
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.474  -2.018   0.321  0.00  0.00    +0.050 A 
ATOM      2  C   LIG    1        0.304  -2.603   1.326  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1        1.640  -2.229   1.499  0.00  0.00    +0.085 A 
ATOM      4 CL   LIG    1        2.557  -2.993   2.745  0.00  0.00    -0.080 Cl
ATOM      5  C   LIG    1        2.199  -1.237   0.692  0.00  0.00    +0.147 A 
ATOM      6  C   LIG    1        1.427  -0.644  -0.310  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1        0.090  -1.020  -0.478  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1       -1.850  -2.396   0.270  0.00  0.00    -0.216 N 
ATOM      9  H   LIG    1       -2.158  -3.198   0.822  0.00  0.00    +0.174 HD
BRANCH   8  11
ATOM     10  O   LIG    1       -2.035  -2.292  -2.255  0.00  0.00    -0.150 OA
ATOM     11  S   LIG    1       -2.848  -2.164  -1.066  0.00  0.00    +0.074 S 
ATOM     12  O   LIG    1       -3.998  -3.006  -0.822  0.00  0.00    -0.150 OA
BRANCH  11  13
ATOM     13  C   LIG    1       -3.421  -0.490  -0.935  0.00  0.00    +0.127 A 
ATOM     14  C   LIG    1       -4.069   0.116  -2.017  0.00  0.00    +0.069 A 
ATOM     15 CL   LIG    1       -4.416  -0.691  -3.503  0.00  0.00    -0.081 Cl
ATOM     16  C   LIG    1       -4.501   1.444  -1.910  0.00  0.00    +0.042 A 
ATOM     17  C   LIG    1       -4.294   2.154  -0.730  0.00  0.00    +0.042 A 
ATOM     18 CL   LIG    1       -4.827   3.784  -0.608  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1       -3.666   1.550   0.356  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1       -3.232   0.226   0.258  0.00  0.00    +0.032 A 
ENDBRANCH  11  13
ENDBRANCH   8  11
ENDBRANCH   1   8
BRANCH   5  21
ATOM     21  O   LIG    1        3.524  -0.901   0.844  0.00  0.00    -0.453 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.807   0.414   1.122  0.00  0.00    +0.148 A 
ATOM     23  C   LIG    1        4.946   0.959   0.534  0.00  0.00    +0.069 A 
ATOM     24  C   LIG    1        5.282   2.280   0.809  0.00  0.00    +0.063 A 
ATOM     25 CL   LIG    1        6.668   2.995   0.093  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1        4.473   3.006   1.672  0.00  0.00    +0.131 A 
ATOM     27  N   LIG    1        3.369   2.499   2.275  0.00  0.00    -0.258 NA
ATOM     28  C   LIG    1        3.069   1.208   1.995  0.00  0.00    +0.157 A 
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 5