REMARK  Name = BDB046940
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.197  -0.811   0.283  0.00  0.00    -0.023 A 
ATOM      2  C   LIG    1       -0.471  -0.235  -0.802  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -1.863  -0.028  -0.759  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1       -2.605  -0.409   0.378  0.00  0.00    +0.071 A 
ATOM      5  N   LIG    1       -3.936  -0.232   0.464  0.00  0.00    -0.255 NA
ATOM      6  C   LIG    1       -4.567   0.335  -0.588  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1       -3.929   0.742  -1.744  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -1.925  -0.991   1.439  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1       -2.555   0.556  -1.829  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -0.541  -1.198   1.402  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  14
ATOM     11  O   LIG    1        4.495  -1.611   0.228  0.00  0.00    -0.269 OA
ATOM     12  C   LIG    1        4.043  -0.479   0.166  0.00  0.00    +0.256 C 
ATOM     13  C   LIG    1        2.599  -0.121   0.167  0.00  0.00    +0.077 C 
ATOM     14  C   LIG    1        1.642  -1.053   0.257  0.00  0.00    +0.028 C 
ATOM     15  S   LIG    1        2.423   1.594   0.071  0.00  0.00    -0.061 S 
ATOM     16  C   LIG    1        4.152   1.853   0.026  0.00  0.00    +0.118 C 
ATOM     17  S   LIG    1        4.927   3.312  -0.076  0.00  0.00    -0.027 S 
ATOM     18  N   LIG    1        4.798   0.657   0.085  0.00  0.00    -0.270 N 
ATOM     19  H   LIG    1        5.805   0.597   0.074  0.00  0.00    +0.156 HD
ENDBRANCH   1  14
TORSDOF 1