REMARK  Name = LIG000094
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.611  -0.327   0.025  0.00  0.00    -0.263 N 
ATOM      2  C   LIG    1       -0.181  -1.460   0.219  0.00  0.00    +0.262 A 
ATOM      3  O   LIG    1        0.273  -2.595   0.346  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1       -1.645  -1.260   0.298  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -2.179   0.025   0.158  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -3.581   0.205   0.246  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -4.406  -0.908   0.472  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -3.860  -2.184   0.608  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -4.121   1.493   0.104  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -3.293   2.591  -0.126  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -1.915   2.414  -0.216  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1       -1.361   1.135  -0.073  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1       -2.482  -2.361   0.521  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        0.104   0.959  -0.175  0.00  0.00    +0.262 A 
ATOM     15  O   LIG    1        0.804   1.933  -0.440  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1  22
ATOM     16  O   LIG    1        5.932   0.438  -1.184  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        4.780   0.174  -0.852  0.00  0.00    +0.219 C 
ATOM     18  N   LIG    1        3.797  -0.011  -1.791  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1        4.074   0.118  -2.755  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1        2.472  -0.324  -1.585  0.00  0.00    +0.242 C 
ATOM     21  O   LIG    1        1.716  -0.494  -2.540  0.00  0.00    -0.273 OA
ATOM     22  C   LIG    1        2.058  -0.534  -0.123  0.00  0.00    +0.180 C 
ATOM     23  C   LIG    1        2.923   0.298   0.826  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        4.388  -0.039   0.593  0.00  0.00    +0.099 C 
ENDBRANCH   1  22
TORSDOF 1