REMARK  Name = LIG000076
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.038   0.648  -0.004  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.818   0.536  -0.056  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -3.078   1.245  -0.969  0.00  0.00    -0.255 N 
ATOM      4  H   LIG    1       -3.605   1.842  -1.594  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1       -1.707   1.311  -1.088  0.00  0.00    +0.242 C 
ATOM      6  O   LIG    1       -1.204   2.080  -1.902  0.00  0.00    -0.273 OA
ATOM      7  C   LIG    1       -0.904   0.451  -0.119  0.00  0.00    +0.175 C 
ATOM      8  C   LIG    1       -1.720  -0.768   0.317  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -3.042  -0.318   0.916  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   7  10
ATOM     10  N   LIG    1        0.388   0.035  -0.655  0.00  0.00    -0.318 N 
ATOM     11  C   LIG    1        1.564  -0.055   0.057  0.00  0.00    +0.069 A 
ATOM     12  C   LIG    1        2.471  -0.593  -0.855  0.00  0.00    +0.089 A 
ATOM     13  C   LIG    1        3.796  -0.826  -0.459  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        4.173  -0.512   0.852  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        3.249   0.021   1.751  0.00  0.00    +0.002 A 
ATOM     16  N   LIG    1        1.871  -0.828  -2.066  0.00  0.00    -0.236 NA
ATOM     17  C   LIG    1        1.922   0.261   1.375  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1        0.627  -0.435  -1.919  0.00  0.00    +0.201 A 
ENDBRANCH   7  10
TORSDOF 1