REMARK  Name = LIG000991
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.228   0.250   0.087  0.00  0.00    -0.180 N 
ATOM      2  C   LIG    1        1.922  -0.982   0.012  0.00  0.00    +0.353 A 
ATOM      3  O   LIG    1        1.395  -2.095  -0.040  0.00  0.00    -0.244 OA
ATOM      4  N   LIG    1        3.317  -0.894   0.018  0.00  0.00    -0.260 N 
ATOM      5  C   LIG    1        4.070  -2.132  -0.055  0.00  0.00    +0.157 C 
ATOM      6  C   LIG    1        4.007   0.281   0.215  0.00  0.00    +0.293 A 
ATOM      7  O   LIG    1        5.216   0.400   0.349  0.00  0.00    -0.264 OA
ATOM      8  C   LIG    1        3.160   1.496   0.277  0.00  0.00    +0.225 A 
ATOM      9  N   LIG    1        1.869   1.471   0.214  0.00  0.00    -0.146 NA
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -4.540   0.936  -0.055  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -3.052   0.720  -0.025  0.00  0.00    -0.047 A 
ATOM     12  C   LIG    1       -2.486  -0.551  -0.211  0.00  0.00    -0.046 A 
ATOM     13  C   LIG    1       -3.348  -1.762  -0.454  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1       -1.082  -0.703  -0.175  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -0.214   0.377   0.046  0.00  0.00    +0.071 A 
ATOM     16  C   LIG    1       -0.814   1.637   0.224  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -2.203   1.808   0.191  0.00  0.00    +0.006 A 
ENDBRANCH   1  15
BRANCH   8  18
ATOM     18  C   LIG    1        3.689   2.829   0.410  0.00  0.00    +0.127 C 
ATOM     19  N   LIG    1        4.106   3.909   0.516  0.00  0.00    -0.189 NA
ENDBRANCH   8  18
TORSDOF 2