REMARK  Name = LIG000752
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.528   2.456  -1.327  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1        1.749   1.419  -0.716  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        2.263   0.240  -0.164  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        1.184  -0.544   0.258  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1        1.378  -1.785   0.831  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        2.699  -2.226   0.981  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1        3.777  -1.425   0.556  0.00  0.00    +0.020 A 
ATOM      8 BR   LIG    1        5.545  -2.064   0.778  0.00  0.00    -0.050 Br
ATOM      9  N   LIG    1        0.003   0.161  -0.025  0.00  0.00    -0.280 N 
ATOM     10  C   LIG    1        3.571  -0.174  -0.028  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1        0.342   1.373  -0.671  0.00  0.00    +0.331 A 
ATOM     12  O   LIG    1       -0.435   2.208  -1.107  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1       -1.349  -0.324   0.161  0.00  0.00    +0.179 C 
ATOM     14  C   LIG    1       -1.951  -0.744  -1.187  0.00  0.00    +0.242 C 
ATOM     15  O   LIG    1       -1.295  -1.218  -2.113  0.00  0.00    -0.273 OA
ATOM     16  N   LIG    1       -3.324  -0.678  -1.279  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1       -3.720  -0.986  -2.157  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1       -4.222  -0.341  -0.298  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -5.431  -0.452  -0.481  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -3.645   0.080   1.032  0.00  0.00    +0.099 C 
ATOM     21  C   LIG    1       -2.259   0.682   0.868  0.00  0.00    +0.044 C 
ENDBRANCH   9  13
TORSDOF 1