REMARK  Name = LIG000956
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.061   0.363  -0.097  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        0.609  -0.685   0.591  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1        0.059  -1.536   1.263  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.050  -0.635   0.357  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1        2.295   0.421  -0.504  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        3.570   0.733  -0.937  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        4.615  -0.067  -0.463  0.00  0.00    +0.039 A 
ATOM      8  C   LIG    1        4.353  -1.138   0.411  0.00  0.00    +0.124 A 
ATOM      9  F   LIG    1        5.376  -1.885   0.845  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        3.062  -1.442   0.836  0.00  0.00    +0.052 A 
ATOM     11  C   LIG    1        1.010   1.044  -0.812  0.00  0.00    +0.255 C 
ATOM     12  O   LIG    1        0.869   1.988  -1.565  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     13  O   LIG    1       -5.373  -0.400  -0.292  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -4.183  -0.102  -0.263  0.00  0.00    +0.219 C 
ATOM     15  N   LIG    1       -3.302  -0.613  -1.184  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -3.685  -1.287  -1.833  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -1.937  -0.438  -1.235  0.00  0.00    +0.240 C 
ATOM     18  O   LIG    1       -1.261  -1.048  -2.061  0.00  0.00    -0.273 OA
ATOM     19  C   LIG    1       -1.365   0.599  -0.262  0.00  0.00    +0.171 C 
ATOM     20  C   LIG    1       -2.160   0.591   1.041  0.00  0.00    +0.041 C 
ATOM     21  C   LIG    1       -3.622   0.883   0.736  0.00  0.00    +0.098 C 
ENDBRANCH   1  19
TORSDOF 1