REMARK  Name = LIG001646
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.355  -0.399   0.136  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.020   0.516   1.123  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -2.755   1.127   1.873  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -0.559   0.650   1.098  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -0.072  -0.118   0.044  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        1.288  -0.168  -0.211  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        2.153   0.576   0.613  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        1.639   1.338   1.686  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        0.263   1.385   1.932  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -1.202  -0.776  -0.672  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        3.618   0.504   0.334  0.00  0.00    +0.075 A 
ATOM     12  N   LIG    1        4.113  -0.608  -0.136  0.00  0.00    -0.226 NA
ATOM     13  C   LIG    1        5.462  -0.638  -0.374  0.00  0.00    +0.174 A 
ATOM     14  N   LIG    1        6.278   0.471  -0.137  0.00  0.00    -0.220 N 
ATOM     15  N   LIG    1        7.579   0.226  -0.439  0.00  0.00    -0.172 NA
ATOM     16  C   LIG    1        7.581  -1.039  -0.865  0.00  0.00    +0.157 A 
ATOM     17  C   LIG    1        5.732   1.655   0.344  0.00  0.00    +0.117 A 
ATOM     18  C   LIG    1        6.304  -1.620  -0.848  0.00  0.00    +0.105 A 
ATOM     19 CL   LIG    1        5.924  -3.201  -1.319  0.00  0.00    -0.078 Cl
ATOM     20  C   LIG    1        4.420   1.747   0.596  0.00  0.00    +0.048 A 
ENDBRANCH   7  11
BRANCH   1  27
ATOM     21  O   LIG    1       -7.749   0.070  -0.882  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1       -6.557  -0.114  -0.654  0.00  0.00    +0.219 C 
ATOM     23  N   LIG    1       -5.596   0.672  -1.239  0.00  0.00    -0.255 N 
ATOM     24  H   LIG    1       -5.934   1.419  -1.830  0.00  0.00    +0.158 HD
ATOM     25  C   LIG    1       -4.229   0.518  -1.187  0.00  0.00    +0.240 C 
ATOM     26  O   LIG    1       -3.498   1.223  -1.882  0.00  0.00    -0.273 OA
ATOM     27  C   LIG    1       -3.716  -0.647  -0.327  0.00  0.00    +0.163 C 
ATOM     28  C   LIG    1       -4.702  -0.959   0.798  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1       -6.068  -1.260   0.202  0.00  0.00    +0.098 C 
ENDBRANCH   1  27
TORSDOF 2