REMARK  Name = LIG000179
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.901   0.847   0.422  0.00  0.00    -0.180 N 
ATOM      2  C   LIG    1        0.145   0.725  -0.527  0.00  0.00    +0.353 A 
ATOM      3  O   LIG    1        0.073   0.083  -1.576  0.00  0.00    -0.244 OA
ATOM      4  N   LIG    1        1.321   1.416  -0.224  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1        1.466   2.233   0.874  0.00  0.00    +0.293 A 
ATOM      6  O   LIG    1        2.436   2.930   1.141  0.00  0.00    -0.264 OA
ATOM      7  C   LIG    1        0.302   2.258   1.792  0.00  0.00    +0.225 A 
ATOM      8  N   LIG    1       -0.794   1.612   1.571  0.00  0.00    -0.146 NA
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1       -6.087  -1.735   0.089  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -4.754  -1.051   0.153  0.00  0.00    -0.050 A 
ATOM     11  C   LIG    1       -4.448  -0.183   1.199  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -3.189   0.427   1.269  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -2.187   0.190   0.306  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -2.511  -0.701  -0.726  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -3.772  -1.315  -0.801  0.00  0.00    +0.005 A 
ENDBRANCH   1  13
BRANCH   7  16
ATOM     16  C   LIG    1        0.275   3.006   3.022  0.00  0.00    +0.127 C 
ATOM     17  N   LIG    1        0.242   3.607   4.016  0.00  0.00    -0.189 NA
ENDBRANCH   7  16
BRANCH   4  18
ATOM     18  C   LIG    1        2.458   1.289  -1.127  0.00  0.00    +0.165 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.387   0.175  -0.695  0.00  0.00    -0.027 A 
ATOM     20  C   LIG    1        4.467   0.437   0.160  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        5.306  -0.597   0.579  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        5.073  -1.902   0.151  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        3.999  -2.176  -0.694  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        3.159  -1.144  -1.114  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 4