REMARK  Name = BDB055792
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.549   0.873   1.078  0.00  0.00    +0.050 A 
ATOM      2  C   LIG    1        1.513  -0.510   1.251  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1        0.589  -1.273   0.534  0.00  0.00    +0.085 A 
ATOM      4 CL   LIG    1        0.584  -2.984   0.762  0.00  0.00    -0.080 Cl
ATOM      5  C   LIG    1       -0.311  -0.652  -0.339  0.00  0.00    +0.147 A 
ATOM      6  C   LIG    1       -0.260   0.734  -0.519  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1        0.666   1.495   0.197  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1        2.517   1.633   1.783  0.00  0.00    -0.216 N 
ATOM      9  H   LIG    1        2.772   1.354   2.730  0.00  0.00    +0.174 HD
BRANCH   8  11
ATOM     10  O   LIG    1        4.688   2.843   1.991  0.00  0.00    -0.150 OA
ATOM     11  S   LIG    1        3.791   2.369   0.955  0.00  0.00    +0.074 S 
ATOM     12  O   LIG    1        3.269   3.290  -0.027  0.00  0.00    -0.150 OA
BRANCH  11  13
ATOM     13  C   LIG    1        4.606   1.000   0.159  0.00  0.00    +0.127 A 
ATOM     14  C   LIG    1        4.358   0.605  -1.159  0.00  0.00    +0.069 A 
ATOM     15 CL   LIG    1        3.201   1.328  -2.213  0.00  0.00    -0.081 Cl
ATOM     16  C   LIG    1        5.068  -0.479  -1.698  0.00  0.00    +0.042 A 
ATOM     17  C   LIG    1        6.020  -1.151  -0.935  0.00  0.00    +0.042 A 
ATOM     18 CL   LIG    1        6.878  -2.478  -1.612  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1        6.281  -0.755   0.371  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1        5.580   0.321   0.917  0.00  0.00    +0.032 A 
ENDBRANCH  11  13
ENDBRANCH   8  11
ENDBRANCH   1   8
BRANCH   5  21
ATOM     21  O   LIG    1       -1.182  -1.428  -1.071  0.00  0.00    -0.453 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.514  -1.109  -1.000  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1       -3.179  -0.801   0.182  0.00  0.00    +0.057 A 
ATOM     24  C   LIG    1       -4.552  -0.517   0.150  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -5.217  -0.573  -1.096  0.00  0.00    +0.071 A 
ATOM     26  C   LIG    1       -6.576  -0.291  -1.127  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1       -7.285   0.040   0.032  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -6.628   0.091   1.256  0.00  0.00    +0.001 A 
ATOM     29  N   LIG    1       -4.582  -0.892  -2.237  0.00  0.00    -0.251 NA
ATOM     30  C   LIG    1       -5.264  -0.188   1.317  0.00  0.00    +0.010 A 
ATOM     31  C   LIG    1       -3.257  -1.162  -2.168  0.00  0.00    +0.157 A 
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 5