REMARK  Name = LIG000531
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.576  -2.557  -0.925  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -1.635  -1.509  -0.610  0.00  0.00    -0.265 N 
ATOM      3  C   LIG    1       -1.929  -0.272  -0.091  0.00  0.00    +0.089 A 
ATOM      4  C   LIG    1       -0.698   0.375   0.014  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1       -0.656   1.688   0.522  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -1.849   2.308   0.903  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -3.066   1.640   0.786  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        0.259  -0.568  -0.464  0.00  0.00    +0.083 A 
ATOM      9  C   LIG    1       -3.139   0.331   0.286  0.00  0.00    +0.051 A 
ATOM     10  N   LIG    1       -0.318  -1.726  -0.811  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        1.752  -0.454  -0.544  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        2.213   0.852  -1.182  0.00  0.00    +0.228 C 
ATOM     13  O   LIG    1        1.583   1.477  -2.032  0.00  0.00    -0.275 OA
ATOM     14  N   LIG    1        3.458   1.306  -0.801  0.00  0.00    -0.256 N 
ATOM     15  H   LIG    1        3.770   2.156  -1.250  0.00  0.00    +0.157 HD
ATOM     16  C   LIG    1        4.339   0.736   0.083  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        5.442   1.233   0.288  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        3.901  -0.556   0.726  0.00  0.00    +0.097 C 
ATOM     19  C   LIG    1        2.388  -0.621   0.840  0.00  0.00    +0.028 C 
ENDBRANCH   8  11
BRANCH   9  20
ATOM     20  N   LIG    1       -4.381  -0.319   0.174  0.00  0.00    -0.356 N 
ATOM     21  H   LIG    1       -4.833  -0.344   1.088  0.00  0.00    +0.142 HD
ATOM     22  H   LIG    1       -4.993   0.229  -0.431  0.00  0.00    +0.142 HD
ENDBRANCH   9  20
TORSDOF 2