REMARK  Name = LIG000735
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.107   2.823   0.966  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -1.552   1.571   0.510  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1       -2.256   0.441   0.181  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1       -1.291  -0.495  -0.180  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1       -1.699  -1.787  -0.561  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -3.065  -2.093  -0.574  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -4.013  -1.136  -0.215  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.047   0.187  -0.048  0.00  0.00    +0.083 A 
ATOM      9  C   LIG    1       -3.628   0.151   0.172  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -0.218   1.453   0.363  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        1.324  -0.354  -0.333  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        1.888  -1.071   0.890  0.00  0.00    +0.228 C 
ATOM     13  O   LIG    1        1.223  -1.794   1.631  0.00  0.00    -0.275 OA
ATOM     14  N   LIG    1        3.248  -0.976   1.087  0.00  0.00    -0.256 N 
ATOM     15  H   LIG    1        3.606  -1.493   1.879  0.00  0.00    +0.157 HD
ATOM     16  C   LIG    1        4.189  -0.554   0.184  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        5.383  -0.780   0.358  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        3.669   0.107  -1.068  0.00  0.00    +0.097 C 
ATOM     19  C   LIG    1        2.301   0.722  -0.825  0.00  0.00    +0.028 C 
ENDBRANCH   8  11
TORSDOF 1