REMARK  Name = LIG001722
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.324  -1.324  -0.658  0.00  0.00    +0.197 C 
ATOM      2  O   LIG    1        0.331  -2.468  -1.104  0.00  0.00    -0.287 OA
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1       -2.143  -1.082  -0.258  0.00  0.00    +0.117 A 
ATOM      4  C   LIG    1       -0.895  -0.541  -0.530  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -1.107   0.871  -0.672  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1       -2.459   1.079  -0.424  0.00  0.00    +0.136 A 
ATOM      7  C   LIG    1       -3.082   2.325  -0.445  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -2.276   3.424  -0.751  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -0.917   3.264  -1.025  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -0.318   1.996  -0.995  0.00  0.00    +0.012 A 
ATOM     11  O   LIG    1       -3.082  -0.099  -0.169  0.00  0.00    -0.459 OA
BRANCH   3  13
ATOM     12  C   LIG    1       -2.326  -2.942   1.383  0.00  0.00    +0.012 C 
ATOM     13  C   LIG    1       -2.638  -2.466  -0.026  0.00  0.00    +0.072 C 
ENDBRANCH   3  13
ENDBRANCH   1   4
BRANCH   1  14
ATOM     14  C   LIG    1        1.615  -0.742  -0.214  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1        1.706   0.020   0.957  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        2.943   0.536   1.348  0.00  0.00    +0.061 A 
ATOM     17 BR   LIG    1        3.034   1.582   2.927  0.00  0.00    -0.046 Br
ATOM     18  C   LIG    1        4.090   0.285   0.589  0.00  0.00    +0.145 A 
ATOM     19  C   LIG    1        3.998  -0.496  -0.566  0.00  0.00    +0.061 A 
ATOM     20 BR   LIG    1        5.521  -0.879  -1.629  0.00  0.00    -0.046 Br
ATOM     21  C   LIG    1        2.765  -1.016  -0.966  0.00  0.00    +0.030 A 
BRANCH  18  22
ATOM     22  O   LIG    1        5.306   0.792   0.964  0.00  0.00    -0.505 OA
ATOM     23  H   LIG    1        5.189   1.286   1.796  0.00  0.00    +0.292 HD
ENDBRANCH  18  22
ENDBRANCH   1  14
TORSDOF 4