REMARK  Name = LIG001761
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.434  -0.451   0.310  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        2.880  -0.024  -0.901  0.00  0.00    +0.077 A 
ATOM      3  C   LIG    1        1.490   0.164  -0.974  0.00  0.00    +0.116 A 
ATOM      4  N   LIG    1        0.705   0.567  -2.019  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1       -0.554   0.594  -1.604  0.00  0.00    -0.064 NA
ATOM      6  N   LIG    1       -0.566   0.210  -0.310  0.00  0.00    -0.232 N 
ATOM      7  C   LIG    1        0.697  -0.077   0.142  0.00  0.00    +0.090 A 
ATOM      8  C   LIG    1        1.222  -0.501   1.365  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        2.610  -0.683   1.418  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -1.825   0.089   0.403  0.00  0.00    +0.196 C 
ATOM     11  C   LIG    1       -2.294   1.450   0.888  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -1.538   2.305   1.344  0.00  0.00    -0.273 OA
ATOM     13  N   LIG    1       -3.655   1.662   0.905  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -3.952   2.559   1.268  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -4.644   0.718   0.788  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -5.804   0.972   1.095  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -4.205  -0.663   0.364  0.00  0.00    +0.099 C 
ATOM     18  C   LIG    1       -2.910  -0.604  -0.429  0.00  0.00    +0.045 C 
ENDBRANCH   6  10
BRANCH   1  20
ATOM     19  C   LIG    1        5.657  -0.425  -0.539  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        4.765  -0.680   0.540  0.00  0.00    -0.495 OA
ENDBRANCH   1  20
TORSDOF 2