REMARK  Name = LIG000773
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.769   2.470   1.212  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1        1.751   1.573   0.736  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1        0.378   1.856   0.796  0.00  0.00    +0.330 A 
ATOM      4  O   LIG    1       -0.164   2.847   1.257  0.00  0.00    -0.246 OA
ATOM      5  N   LIG    1       -0.248   0.726   0.225  0.00  0.00    -0.280 N 
ATOM      6  C   LIG    1        0.731  -0.187  -0.157  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1        0.438  -1.480  -0.713  0.00  0.00    +0.028 C 
ATOM      8  C   LIG    1        1.273  -2.293  -1.373  0.00  0.00    +0.002 C 
ATOM      9  C   LIG    1        2.655  -2.079  -1.713  0.00  0.00    -0.004 C 
ATOM     10  C   LIG    1        3.523  -1.236  -1.140  0.00  0.00    -0.021 C 
ATOM     11  C   LIG    1        3.320  -0.223  -0.052  0.00  0.00    +0.082 C 
ATOM     12  C   LIG    1        1.942   0.327   0.148  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   5  13
ATOM     13  C   LIG    1       -1.692   0.647   0.128  0.00  0.00    +0.179 C 
ATOM     14  C   LIG    1       -2.219   0.285  -1.267  0.00  0.00    +0.242 C 
ATOM     15  O   LIG    1       -1.634   0.533  -2.318  0.00  0.00    -0.273 OA
ATOM     16  N   LIG    1       -3.471  -0.291  -1.303  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1       -3.822  -0.518  -2.224  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1       -4.292  -0.609  -0.251  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -5.386  -1.133  -0.438  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -3.806  -0.224   1.125  0.00  0.00    +0.099 C 
ATOM     21  C   LIG    1       -2.289  -0.259   1.207  0.00  0.00    +0.044 C 
ENDBRANCH   5  13
TORSDOF 1