REMARK  Name = LIG000226
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.618   0.071  -0.283  0.00  0.00    -0.300 N 
ATOM      2  H   LIG    1       -0.296   0.796  -0.923  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        0.294  -0.746   0.342  0.00  0.00    +0.247 C 
ATOM      4  O   LIG    1       -0.047  -1.728   0.995  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -6.006   0.892  -0.170  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -4.847   0.490  -0.214  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -4.085   0.660  -1.342  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -4.521   1.211  -2.070  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -2.716   0.572  -1.411  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -2.091   1.108  -2.326  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -2.040  -0.239  -0.301  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -2.714   0.084   1.029  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -4.197  -0.239   0.938  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1        1.739  -0.414   0.201  0.00  0.00    +0.072 A 
ATOM     15  C   LIG    1        2.203   0.698  -0.508  0.00  0.00    +0.138 A 
ATOM     16  F   LIG    1        1.347   1.537  -1.111  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        3.565   0.975  -0.616  0.00  0.00    +0.071 A 
ATOM     18  C   LIG    1        4.487   0.122   0.001  0.00  0.00    +0.129 A 
ATOM     19  C   LIG    1        4.048  -0.999   0.718  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1        2.678  -1.262   0.815  0.00  0.00    +0.018 A 
BRANCH  18  21
ATOM     21  N   LIG    1        5.923   0.406  -0.106  0.00  0.00    +0.057 N 
ATOM     22  O   LIG    1        6.263   1.412  -0.743  0.00  0.00    -0.126 OA
ATOM     23  O   LIG    1        6.706  -0.378   0.447  0.00  0.00    -0.126 OA
ENDBRANCH  18  21
ENDBRANCH   3  14
TORSDOF 3