REMARK  Name = LIG001954
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.053  -0.850  -0.626  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1       -1.898  -0.411   0.002  0.00  0.00    +0.003 A 
ATOM      3  C   LIG    1       -0.470  -0.540  -0.417  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1        0.253   0.077   0.688  0.00  0.00    -0.282 N 
ATOM      5  C   LIG    1       -0.604   0.634   1.623  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -0.317   1.295   2.602  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -1.966   0.278   1.218  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -3.150   0.531   1.877  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -4.300   0.036   1.282  0.00  0.00    +0.126 A 
ATOM     10  F   LIG    1       -5.481   0.215   1.888  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -4.258  -0.662   0.064  0.00  0.00    +0.061 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1        1.669   0.419   0.633  0.00  0.00    +0.163 C 
ATOM     13  C   LIG    1        1.958   1.540  -0.380  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1        1.094   2.219  -0.932  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        3.289   1.746  -0.661  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        3.468   2.473  -1.342  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        4.276   0.799  -0.571  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        5.322   0.912  -1.202  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        4.011  -0.368   0.352  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1        2.548  -0.783   0.303  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  N   LIG    1       -3.014  -1.639  -1.777  0.00  0.00    -0.358 N 
ATOM     22  H   LIG    1       -2.239  -1.445  -2.403  0.00  0.00    +0.142 HD
ATOM     23  H   LIG    1       -3.897  -1.679  -2.281  0.00  0.00    +0.142 HD
ENDBRANCH   1  21
TORSDOF 2