REMARK  Name = LIG000877
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.369  -2.256  -0.294  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.614  -1.555  -0.164  0.00  0.00    +0.249 C 
ATOM      3  C   LIG    1       -0.690  -0.053  -0.025  0.00  0.00    +0.047 C 
ATOM      4  C   LIG    1        0.325   0.824  -0.033  0.00  0.00    +0.021 C 
ATOM      5  C   LIG    1       -2.112   0.292   0.102  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -2.812  -0.918   0.044  0.00  0.00    +0.042 A 
ATOM      7  C   LIG    1       -4.187  -0.986   0.132  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -4.880   0.218   0.285  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -4.184   1.440   0.345  0.00  0.00    +0.014 A 
ATOM     10  I   LIG    1       -5.255   3.212   0.575  0.00  0.00    -0.044 I 
ATOM     11  C   LIG    1       -2.789   1.490   0.254  0.00  0.00    +0.025 A 
ATOM     12  N   LIG    1       -1.932  -1.984  -0.109  0.00  0.00    -0.281 N 
ATOM     13  H   LIG    1       -2.187  -2.958  -0.181  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1        1.746   0.490  -0.166  0.00  0.00    -0.022 A 
ATOM     15  C   LIG    1        2.455   0.947  -1.283  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1        3.816   0.658  -1.420  0.00  0.00    +0.061 A 
ATOM     17 BR   LIG    1        4.720   1.302  -2.960  0.00  0.00    -0.046 Br
ATOM     18  C   LIG    1        4.479  -0.084  -0.441  0.00  0.00    +0.145 A 
ATOM     19  C   LIG    1        3.773  -0.532   0.679  0.00  0.00    +0.061 A 
ATOM     20 BR   LIG    1        4.640  -1.536   2.035  0.00  0.00    -0.046 Br
ATOM     21  C   LIG    1        2.414  -0.243   0.822  0.00  0.00    +0.027 A 
BRANCH  18  22
ATOM     22  O   LIG    1        5.813  -0.360  -0.588  0.00  0.00    -0.505 OA
ATOM     23  H   LIG    1        6.085  -0.917   0.163  0.00  0.00    +0.292 HD
ENDBRANCH  18  22
ENDBRANCH   4  14
TORSDOF 2