REMARK  Name = LIG000169
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.541   0.369   0.029  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        1.487   0.672  -0.791  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1        1.502   1.174  -1.899  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.274   0.278  -0.080  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        0.660  -0.281   1.121  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -0.261  -0.760   2.023  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1       -1.612  -0.652   1.667  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -2.036  -0.088   0.431  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -1.054   0.392  -0.451  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        2.120  -0.248   1.175  0.00  0.00    +0.254 C 
ATOM     11  O   LIG    1        2.781  -0.716   2.083  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1        7.948  -0.455  -0.455  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        6.756  -0.166  -0.416  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        5.802  -1.032  -0.891  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        6.140  -1.930  -1.210  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        4.433  -0.882  -0.859  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        3.699  -1.791  -1.244  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        3.927   0.488  -0.395  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1        4.861   1.062   0.666  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        6.266   1.171   0.091  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  N   LIG    1       -3.416  -0.015   0.162  0.00  0.00    -0.330 N 
ATOM     22  C   LIG    1       -4.053  -1.343   0.039  0.00  0.00    +0.105 C 
ATOM     23  C   LIG    1       -5.573  -1.198   0.126  0.00  0.00    +0.019 C 
ATOM     24  C   LIG    1       -6.099  -0.201  -0.901  0.00  0.00    +0.003 C 
ATOM     25  C   LIG    1       -5.373   1.134  -0.773  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1       -3.858   0.950  -0.859  0.00  0.00    +0.105 C 
ENDBRANCH   8  21
TORSDOF 2