REMARK  Name = LIG000948
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.067   0.016  -0.216  0.00  0.00    -0.299 N 
ATOM      2  H   LIG    1        0.096  -0.430  -1.116  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        1.014   0.598   0.427  0.00  0.00    +0.263 C 
ATOM      4  O   LIG    1        0.870   1.449   1.299  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -5.469  -0.109   0.450  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -4.276   0.151   0.324  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -3.667   0.082  -0.903  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -4.250  -0.278  -1.646  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -2.314   0.000  -1.123  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -1.865  -0.456  -2.175  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -1.416   0.517   0.005  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -1.992   0.064   1.343  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -3.413   0.586   1.485  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1        2.376   0.149  -0.022  0.00  0.00    +0.125 A 
ATOM     15  N   LIG    1        3.360   1.081   0.042  0.00  0.00    -0.250 NA
ATOM     16  C   LIG    1        4.592   0.699  -0.356  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1        4.892  -0.571  -0.819  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        3.871  -1.514  -0.873  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        2.588  -1.154  -0.467  0.00  0.00    +0.033 A 
ENDBRANCH   3  14
TORSDOF 2