REMARK  Name = LIG000994
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.319   0.154  -0.389  0.00  0.00    -0.300 N 
ATOM      2  H   LIG    1        0.007   0.027  -1.349  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1       -0.596   0.280   0.626  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1       -0.295   0.545   1.783  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1        5.724  -0.279  -0.870  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        4.556   0.008  -0.624  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1        3.764   0.607  -1.570  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1        4.192   0.696  -2.482  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1        2.391   0.630  -1.562  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1        1.752   0.778  -2.603  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1        1.726   0.467  -0.192  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1        2.458  -0.624   0.584  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1        3.925  -0.248   0.725  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1       -2.015   0.088   0.275  0.00  0.00    +0.102 A 
ATOM     15  C   LIG    1       -3.021   0.877   0.838  0.00  0.00    +0.141 A 
ATOM     16  C   LIG    1       -4.380   0.638   0.578  0.00  0.00    +0.033 A 
ATOM     17  C   LIG    1       -4.738  -0.410  -0.268  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1       -3.745  -1.201  -0.847  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1       -2.399  -0.952  -0.572  0.00  0.00    +0.138 A 
ATOM     20  F   LIG    1       -1.483  -1.753  -1.136  0.00  0.00    -0.205 F 
BRANCH  15  21
ATOM     21  N   LIG    1       -2.687   2.036   1.641  0.00  0.00    +0.057 N 
ATOM     22  O   LIG    1       -3.180   2.095   2.775  0.00  0.00    -0.126 OA
ATOM     23  O   LIG    1       -2.012   2.919   1.094  0.00  0.00    -0.126 OA
ENDBRANCH  15  21
ENDBRANCH   3  14
TORSDOF 3