REMARK  Name = LIG000056
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.406  -2.087  -0.183  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1        0.432  -0.630   0.269  0.00  0.00    +0.105 C 
ATOM      3  N   LIG    1       -0.061   0.288  -0.768  0.00  0.00    -0.279 N 
ATOM      4  C   LIG    1        0.930   1.193  -1.159  0.00  0.00    +0.248 C 
ATOM      5  O   LIG    1        0.829   2.118  -1.943  0.00  0.00    -0.270 OA
ATOM      6  C   LIG    1        2.142   0.873  -0.404  0.00  0.00    +0.042 A 
ATOM      7  C   LIG    1        3.379   1.490  -0.451  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        4.366   1.015   0.413  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        4.091  -0.045   1.296  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        2.828  -0.648   1.327  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        1.853  -0.177   0.461  0.00  0.00    -0.015 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1       -1.465   0.689  -0.913  0.00  0.00    +0.164 C 
ATOM     13  C   LIG    1       -1.965   1.447   0.337  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -1.258   2.166   1.039  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -3.289   1.270   0.639  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -3.616   1.849   1.403  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -3.837   0.019   0.684  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -4.764  -0.242   1.445  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -3.147  -1.045  -0.136  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -2.412  -0.442  -1.322  0.00  0.00    +0.041 C 
ENDBRANCH   3  12
TORSDOF 1