REMARK  Name = LIG000844
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.883   1.784   0.792  0.00  0.00    +0.232 A 
ATOM      2  C   LIG    1        1.960   0.783   1.010  0.00  0.00    +0.290 A 
ATOM      3  O   LIG    1        3.114   1.186   1.093  0.00  0.00    -0.265 OA
ATOM      4  N   LIG    1        1.544  -0.524   1.108  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1        0.205  -0.912   1.069  0.00  0.00    +0.353 A 
ATOM      6  O   LIG    1       -0.089  -2.094   1.259  0.00  0.00    -0.244 OA
ATOM      7  N   LIG    1       -0.728   0.124   0.835  0.00  0.00    -0.181 N 
ATOM      8  N   LIG    1       -0.367   1.452   0.712  0.00  0.00    -0.150 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -2.156  -0.081   0.707  0.00  0.00    +0.071 A 
ATOM     10  C   LIG    1       -2.751  -1.349   0.619  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1       -4.147  -1.521   0.493  0.00  0.00    -0.046 A 
ATOM     12  C   LIG    1       -4.708  -2.916   0.405  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -4.985  -0.395   0.445  0.00  0.00    -0.047 A 
ATOM     14  C   LIG    1       -6.477  -0.525   0.311  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1       -4.408   0.875   0.522  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -3.022   1.026   0.648  0.00  0.00    +0.028 A 
ENDBRANCH   7   9
BRANCH   1  17
ATOM     17  C   LIG    1        1.220   3.244   0.652  0.00  0.00    +0.365 C 
ATOM     18  O   LIG    1        1.188   4.015   1.592  0.00  0.00    -0.243 OA
BRANCH  17  19
ATOM     19  O   LIG    1        1.532   3.495  -0.636  0.00  0.00    -0.460 OA
BRANCH  19  21
ATOM     20  C   LIG    1        3.369   5.068  -0.688  0.00  0.00    +0.048 C 
ATOM     21  C   LIG    1        1.886   4.853  -0.929  0.00  0.00    +0.229 C 
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   1  17
BRANCH   4  22
ATOM     22  C   LIG    1        2.564  -1.548   1.278  0.00  0.00    +0.165 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.071  -2.060  -0.053  0.00  0.00    -0.028 A 
ATOM     24  C   LIG    1        2.419  -3.117  -0.705  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        2.871  -3.572  -1.944  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.975  -2.974  -2.547  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.628  -1.919  -1.913  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.178  -1.462  -0.673  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6