REMARK  Name = LIG000884
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.201  -0.189  -0.246  0.00  0.00    -0.300 N 
ATOM      2  H   LIG    1        0.043  -1.107  -0.608  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        0.796   0.750  -0.098  0.00  0.00    +0.245 C 
ATOM      4  O   LIG    1        0.569   1.952  -0.014  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -5.628  -0.316   0.214  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -4.442  -0.103  -0.017  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -3.740  -0.900  -0.886  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -4.249  -1.703  -1.232  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -2.373  -0.984  -0.977  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -1.826  -1.966  -1.479  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -1.588   0.215  -0.435  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -2.236   0.685   0.863  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -3.689   1.051   0.601  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1        2.197   0.242  -0.080  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        2.510  -1.072   0.292  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1        3.842  -1.500   0.296  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1        4.858  -0.614  -0.063  0.00  0.00    +0.018 A 
ATOM     18 BR   LIG    1        6.656  -1.197  -0.054  0.00  0.00    -0.050 Br
ATOM     19  C   LIG    1        4.558   0.699  -0.420  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1        3.228   1.127  -0.425  0.00  0.00    +0.014 A 
ENDBRANCH   3  14
TORSDOF 2