REMARK  Name = BDB064075
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.260   0.458   0.303  0.00  0.00    +0.140 C 
ATOM      2  N   LIG    1        3.891   0.100  -0.002  0.00  0.00    -0.251 N 
ATOM      3  C   LIG    1        3.472  -0.983  -0.760  0.00  0.00    +0.144 C 
ATOM      4  S   LIG    1        4.383  -2.145  -1.513  0.00  0.00    -0.018 S 
ATOM      5  N   LIG    1        2.089  -0.955  -0.802  0.00  0.00    -0.292 N 
ATOM      6  H   LIG    1        1.476  -1.612  -1.278  0.00  0.00    +0.154 HD
ATOM      7  C   LIG    1        1.619   0.113  -0.094  0.00  0.00    +0.098 C 
ATOM      8  C   LIG    1        0.344   0.467   0.091  0.00  0.00    +0.058 C 
ATOM      9  C   LIG    1        2.809   0.830   0.449  0.00  0.00    +0.266 C 
ATOM     10  O   LIG    1        2.785   1.836   1.134  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -0.804  -0.218  -0.428  0.00  0.00    +0.095 A 
ATOM     12  C   LIG    1       -2.158   0.186  -0.212  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -2.926  -0.756  -0.889  0.00  0.00    +0.066 A 
ATOM     14  C   LIG    1       -4.323  -0.722  -0.928  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -4.955   0.321  -0.244  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -4.216   1.282   0.445  0.00  0.00    +0.001 A 
ATOM     17  N   LIG    1       -2.025  -1.623  -1.441  0.00  0.00    -0.276 N 
ATOM     18  H   LIG    1       -2.227  -2.439  -2.007  0.00  0.00    +0.189 HD
ATOM     19  C   LIG    1       -2.817   1.229   0.471  0.00  0.00    +0.012 A 
ATOM     20  N   LIG    1       -0.740  -1.328  -1.183  0.00  0.00    -0.173 NA
ENDBRANCH   8  11
TORSDOF 1