REMARK  Name = LIG001258
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.534   2.970   0.312  0.00  0.00    +0.138 C 
ATOM      2  N   LIG    1       -1.904   1.679   0.222  0.00  0.00    -0.270 N 
ATOM      3  C   LIG    1       -2.595   0.464   0.239  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -1.697  -0.607   0.136  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1       -2.208  -1.887  -0.014  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -3.594  -2.088   0.044  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -4.469  -1.009   0.212  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.333  -0.024   0.084  0.00  0.00    +0.059 C 
ATOM      9  C   LIG    1        0.883  -0.608   0.121  0.00  0.00    +0.059 C 
ATOM     10  C   LIG    1        2.241  -0.065  -0.142  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        3.148  -1.071   0.210  0.00  0.00    +0.042 A 
ATOM     12  C   LIG    1        4.521  -0.948   0.089  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1        5.013   0.238  -0.448  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        4.129   1.243  -0.865  0.00  0.00    +0.001 A 
ATOM     15  N   LIG    1        2.479  -2.204   0.641  0.00  0.00    -0.281 N 
ATOM     16  H   LIG    1        2.908  -3.063   0.948  0.00  0.00    +0.155 HD
ATOM     17  C   LIG    1        2.741   1.085  -0.731  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        1.110  -2.029   0.609  0.00  0.00    +0.250 C 
ATOM     19  O   LIG    1        0.309  -2.863   0.979  0.00  0.00    -0.270 OA
ATOM     20  C   LIG    1       -3.971   0.288   0.298  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1       -0.533   1.482   0.112  0.00  0.00    +0.252 C 
ATOM     22  O   LIG    1        0.311   2.357   0.113  0.00  0.00    -0.270 OA
ENDROOT
TORSDOF 0