REMARK  Name = BDB028791
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.104  -1.141   0.581  0.00  0.00    -0.112 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.653   0.612   0.551  0.00  0.00    +0.138 C 
ATOM      3  C   LIG    1       -2.869   0.737   1.458  0.00  0.00    +0.233 C 
ATOM      4  O   LIG    1       -2.776   0.937   2.668  0.00  0.00    -0.274 OA
ATOM      5  N   LIG    1       -4.103   0.594   0.869  0.00  0.00    -0.255 N 
ATOM      6  H   LIG    1       -4.897   0.666   1.490  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -4.397   0.504  -0.468  0.00  0.00    +0.219 C 
ATOM      8  O   LIG    1       -5.561   0.472  -0.858  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -3.228   0.410  -1.418  0.00  0.00    +0.098 C 
ATOM     10  C   LIG    1       -1.998   1.106  -0.853  0.00  0.00    +0.033 C 
ENDBRANCH   1   2
BRANCH   1  16
ATOM     11  C   LIG    1        4.785  -0.319  -0.795  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        3.348  -0.550  -0.433  0.00  0.00    -0.050 A 
ATOM     13  C   LIG    1        2.917  -0.400   0.892  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        1.570  -0.587   1.249  0.00  0.00    -0.037 A 
ATOM     15  C   LIG    1        1.177  -0.442   2.696  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1        0.637  -0.903   0.244  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        1.070  -1.054  -1.080  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        2.412  -0.871  -1.418  0.00  0.00    +0.004 A 
ENDBRANCH   1  16
TORSDOF 2