REMARK  Name = LIG000691
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.917  -0.299   0.416  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1       -1.662   0.264   0.195  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -0.321  -0.331   0.249  0.00  0.00    +0.255 C 
ATOM      4  N   LIG    1        0.573   0.666  -0.024  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1       -0.065   1.838  -0.326  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1        0.416   2.902  -0.665  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1       -0.109  -1.507   0.476  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -1.495   1.592  -0.162  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1       -2.562   2.452  -0.323  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -3.836   1.925  -0.112  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.013   0.571   0.249  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1        2.002   0.477  -0.223  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1        2.237  -0.222  -1.566  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1        1.420  -0.232  -2.485  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        3.471  -0.813  -1.721  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        3.633  -1.269  -2.609  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        4.426  -1.028  -0.758  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        5.442  -1.669  -1.006  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        4.183  -0.389   0.591  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1        2.696  -0.293   0.897  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  C   LIG    1       -3.042  -1.762   0.781  0.00  0.00    +0.154 C 
BRANCH  21  23
ATOM     22  N   LIG    1       -5.470  -2.580   1.387  0.00  0.00    -0.196 NA
ATOM     23  C   LIG    1       -4.397  -2.225   1.120  0.00  0.00    +0.067 C 
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 3