REMARK  Name = LIG000857
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.155  -0.284   0.137  0.00  0.00    -0.240 N 
ATOM      2  N   LIG    1        1.269  -0.186  -1.198  0.00  0.00    -0.065 NA
ATOM      3  N   LIG    1        0.163  -0.684  -1.731  0.00  0.00    -0.134 NA
ATOM      4  C   LIG    1       -0.656  -1.105  -0.713  0.00  0.00    +0.087 A 
ATOM      5  C   LIG    1       -0.020  -0.878   0.490  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   1  12
ATOM      6  O   LIG    1        5.586   1.520  -1.018  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1        4.574   1.085  -0.476  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1        3.611   1.935   0.006  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1        3.800   2.921  -0.115  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1        2.526   1.625   0.790  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1        1.848   2.519   1.295  0.00  0.00    -0.273 OA
ATOM     12  C   LIG    1        2.224   0.158   1.011  0.00  0.00    +0.195 C 
ATOM     13  C   LIG    1        3.492  -0.693   0.925  0.00  0.00    +0.045 C 
ATOM     14  C   LIG    1        4.314  -0.393  -0.321  0.00  0.00    +0.099 C 
ENDBRANCH   1  12
BRANCH   4  15
ATOM     15  C   LIG    1       -1.976  -1.719  -1.005  0.00  0.00    +0.094 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.021  -0.734  -0.539  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1       -3.746  -0.968   0.640  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -4.714  -0.058   1.069  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.968   1.094   0.327  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.256   1.338  -0.846  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -3.289   0.429  -1.278  0.00  0.00    +0.004 A 
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 3