REMARK  Name = LIG000540
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.084  -0.066  -1.186  0.00  0.00    +0.052 A 
ATOM      2  C   LIG    1        1.777  -0.481  -0.832  0.00  0.00    +0.110 A 
ATOM      3  N   LIG    1        0.960  -1.420  -1.423  0.00  0.00    -0.234 NA
ATOM      4  C   LIG    1       -0.139  -1.434  -0.708  0.00  0.00    +0.201 A 
ATOM      5  N   LIG    1       -0.093  -0.525   0.311  0.00  0.00    -0.318 N 
ATOM      6  C   LIG    1        1.139   0.096   0.266  0.00  0.00    +0.071 A 
ATOM      7  C   LIG    1        1.739   1.085   1.056  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        3.031   1.485   0.704  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        3.691   0.923  -0.391  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -1.157  -0.214   1.260  0.00  0.00    +0.175 C 
ATOM     11  C   LIG    1       -2.098  -1.382   1.500  0.00  0.00    +0.242 C 
ATOM     12  O   LIG    1       -1.800  -2.336   2.216  0.00  0.00    -0.273 OA
ATOM     13  N   LIG    1       -3.308  -1.357   0.847  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -3.921  -2.144   1.018  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -3.804  -0.389   0.010  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -4.915  -0.499  -0.496  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -2.888   0.772  -0.289  0.00  0.00    +0.099 C 
ATOM     18  C   LIG    1       -1.947   1.042   0.876  0.00  0.00    +0.044 C 
ENDBRANCH   5  10
BRANCH   1  19
ATOM     19  N   LIG    1        3.792  -0.608  -2.282  0.00  0.00    -0.356 N 
ATOM     20  H   LIG    1        4.049   0.128  -2.935  0.00  0.00    +0.142 HD
ATOM     21  H   LIG    1        4.645  -1.058  -1.960  0.00  0.00    +0.142 HD
ENDBRANCH   1  19
TORSDOF 2