REMARK  Name = LIG000852
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.214   2.874   0.295  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1        1.569   1.585   0.210  0.00  0.00    -0.265 N 
ATOM      3  C   LIG    1        2.177   0.389  -0.046  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        1.147  -0.555  -0.021  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        1.515  -1.909  -0.191  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        2.852  -2.257  -0.426  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        3.840  -1.282  -0.478  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.052   0.204   0.237  0.00  0.00    +0.158 A 
ATOM      9  C   LIG    1        3.522   0.062  -0.282  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        0.254   1.496   0.440  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   8  11
ATOM     11  N   LIG    1       -1.400  -0.192   0.336  0.00  0.00    -0.237 N 
ATOM     12  C   LIG    1       -1.878  -1.382  -0.202  0.00  0.00    +0.314 C 
ATOM     13  O   LIG    1       -1.265  -2.202  -0.876  0.00  0.00    -0.252 OA
ATOM     14  N   LIG    1       -3.223  -1.606  -0.006  0.00  0.00    -0.240 N 
ATOM     15  H   LIG    1       -3.551  -2.474  -0.406  0.00  0.00    +0.159 HD
ATOM     16  C   LIG    1       -4.159  -0.609  -0.034  0.00  0.00    +0.222 C 
ATOM     17  O   LIG    1       -5.322  -0.830  -0.358  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -3.650   0.773   0.252  0.00  0.00    +0.115 C 
ATOM     19  C   LIG    1       -2.363   0.657   1.040  0.00  0.00    +0.126 C 
ENDBRANCH   8  11
TORSDOF 1