REMARK  Name = LIG000289
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.498  -0.701   0.545  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        0.669   0.171  -0.185  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -0.693  -0.074  -0.201  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -1.791   0.689  -0.860  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -2.964  -0.127  -0.574  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -2.673  -1.167   0.296  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -3.437  -1.942   0.836  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -1.218  -1.164   0.488  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -0.432  -2.045   1.206  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.947  -1.810   1.226  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  17
ATOM     11  C   LIG    1        8.305   1.213  -1.344  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1        7.003   0.779  -0.783  0.00  0.00    +0.062 A 
ATOM     13  N   LIG    1        6.935   0.311   0.468  0.00  0.00    -0.170 NA
ATOM     14  N   LIG    1        5.626   0.011   0.653  0.00  0.00    -0.221 N 
ATOM     15  C   LIG    1        4.863   0.292  -0.481  0.00  0.00    +0.156 A 
ATOM     16  N   LIG    1        3.514   0.070  -0.526  0.00  0.00    -0.228 NA
ATOM     17  C   LIG    1        2.966  -0.434   0.547  0.00  0.00    +0.075 A 
ATOM     18  C   LIG    1        3.707  -0.749   1.816  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1        5.025  -0.506   1.794  0.00  0.00    +0.117 A 
ATOM     20  C   LIG    1        5.742   0.788  -1.414  0.00  0.00    +0.073 A 
ENDBRANCH   1  17
BRANCH   5  21
ATOM     21  C   LIG    1       -4.311   0.362  -0.849  0.00  0.00    +0.163 C 
ATOM     22  C   LIG    1       -4.864   1.161   0.342  0.00  0.00    +0.240 C 
ATOM     23  O   LIG    1       -4.156   1.811   1.110  0.00  0.00    -0.273 OA
ATOM     24  N   LIG    1       -6.235   1.215   0.446  0.00  0.00    -0.255 N 
ATOM     25  H   LIG    1       -6.598   1.768   1.211  0.00  0.00    +0.158 HD
ATOM     26  C   LIG    1       -7.168   0.685  -0.409  0.00  0.00    +0.219 C 
ATOM     27  O   LIG    1       -8.365   0.917  -0.260  0.00  0.00    -0.275 OA
ATOM     28  C   LIG    1       -6.641  -0.111  -1.580  0.00  0.00    +0.098 C 
ATOM     29  C   LIG    1       -5.292  -0.735  -1.260  0.00  0.00    +0.041 C 
ENDBRANCH   5  21
TORSDOF 2