REMARK  Name = LIG001269
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.641   0.090  -0.380  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -0.374   0.561  -0.140  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1       -0.090   1.654   0.315  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        0.570  -0.504  -0.537  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1       -0.215  -1.561  -0.986  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        0.315  -2.733  -1.486  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        1.700  -2.817  -1.545  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        2.504  -1.746  -1.097  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        1.966  -0.556  -0.560  0.00  0.00    +0.043 A 
ATOM     10  C   LIG    1       -1.618  -1.193  -0.840  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1       -2.547  -1.940  -1.078  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -6.744   1.205   1.312  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -5.590   1.082   0.913  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -4.622   0.522   1.710  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -4.936   0.169   2.603  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -3.311   0.252   1.384  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -2.585  -0.348   2.175  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -2.836   0.807   0.037  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1       -3.976   0.776  -0.977  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -5.144   1.589  -0.439  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   9  21
ATOM     21  N   LIG    1        2.771   0.482  -0.116  0.00  0.00    -0.325 N 
ATOM     22  C   LIG    1        4.138   0.692  -0.631  0.00  0.00    +0.133 C 
ATOM     23  C   LIG    1        5.194   0.088   0.307  0.00  0.00    +0.178 C 
ATOM     24  O   LIG    1        5.052   0.579   1.648  0.00  0.00    -0.377 OA
ATOM     25  C   LIG    1        3.746   0.266   2.159  0.00  0.00    +0.178 C 
ATOM     26  C   LIG    1        2.631   0.892   1.303  0.00  0.00    +0.133 C 
ENDBRANCH   9  21
TORSDOF 2