REMARK  Name = BDB064074
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.921   0.322  -0.439  0.00  0.00    +0.140 C 
ATOM      2  N   LIG    1        3.539   0.098  -0.072  0.00  0.00    -0.251 N 
ATOM      3  C   LIG    1        3.061  -0.199   1.192  0.00  0.00    +0.144 C 
ATOM      4  S   LIG    1        3.896  -0.388   2.611  0.00  0.00    -0.018 S 
ATOM      5  N   LIG    1        1.683  -0.324   1.108  0.00  0.00    -0.292 N 
ATOM      6  H   LIG    1        1.077  -0.506   1.896  0.00  0.00    +0.154 HD
ATOM      7  C   LIG    1        1.273  -0.107  -0.175  0.00  0.00    +0.096 C 
ATOM      8  C   LIG    1        0.032  -0.112  -0.672  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        2.502   0.185  -0.978  0.00  0.00    +0.266 C 
ATOM     10  O   LIG    1        2.535   0.444  -2.167  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -1.185  -0.388   0.022  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -2.451   0.223  -0.215  0.00  0.00    +0.044 A 
ATOM     13  C   LIG    1       -3.353  -0.366   0.658  0.00  0.00    +0.142 A 
ATOM     14  N   LIG    1       -4.661  -0.091   0.781  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1       -5.042   0.872  -0.077  0.00  0.00    +0.223 A 
ATOM     16  N   LIG    1       -4.283   1.531  -0.976  0.00  0.00    -0.243 NA
ATOM     17  N   LIG    1       -2.684  -1.305   1.393  0.00  0.00    -0.345 N 
ATOM     18  H   LIG    1       -3.123  -1.887   2.091  0.00  0.00    +0.167 HD
ATOM     19  C   LIG    1       -2.971   1.208  -1.053  0.00  0.00    +0.124 A 
ATOM     20  C   LIG    1       -1.364  -1.338   1.010  0.00  0.00    +0.093 A 
ENDBRANCH   8  11
TORSDOF 1