REMARK  Name = LIG000174
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.224   0.102  -0.332  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        1.142   0.932  -0.463  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1        1.104   2.078  -0.868  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -0.026   0.174  -0.022  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        0.416  -1.065   0.389  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -0.452  -2.014   0.878  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1       -1.809  -1.665   0.929  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -2.294  -0.399   0.496  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1       -1.360   0.538   0.024  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        1.867  -1.099   0.217  0.00  0.00    +0.254 C 
ATOM     11  O   LIG    1        2.571  -2.037   0.538  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1        7.683   0.580   0.027  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        6.469   0.552  -0.152  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        5.598   0.939   0.836  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        6.017   1.182   1.724  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        4.221   0.902   0.812  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        3.573   1.196   1.815  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        3.591   0.553  -0.540  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1        4.472  -0.442  -1.290  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        5.858   0.159  -1.477  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  N   LIG    1       -3.668  -0.127   0.599  0.00  0.00    -0.325 N 
ATOM     22  C   LIG    1       -4.531  -1.049  -0.184  0.00  0.00    +0.133 C 
ATOM     23  C   LIG    1       -6.008  -0.835   0.190  0.00  0.00    +0.178 C 
ATOM     24  O   LIG    1       -6.409   0.532   0.010  0.00  0.00    -0.377 OA
ATOM     25  C   LIG    1       -5.605   1.391   0.835  0.00  0.00    +0.178 C 
ATOM     26  C   LIG    1       -4.116   1.279   0.471  0.00  0.00    +0.133 C 
ENDBRANCH   8  21
TORSDOF 2