REMARK  Name = LIG000214
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.834   0.512   1.889  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        0.523   0.208   1.732  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1        1.407   0.091   0.549  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1        2.673  -0.173   1.004  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1        2.704  -0.289   2.359  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1        3.645  -0.560   3.080  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1        1.080   0.190  -0.619  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1        1.355  -0.009   2.833  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        0.925   0.064   4.142  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -0.408   0.384   4.341  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -1.259   0.607   3.238  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1  17
ATOM     12  C   LIG    1       -5.502  -0.697  -2.470  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -5.163   0.599  -1.778  0.00  0.00    +0.213 C 
ATOM     14  N   LIG    1       -4.021   0.614  -0.999  0.00  0.00    -0.299 N 
ATOM     15  C   LIG    1       -3.674   1.833  -0.261  0.00  0.00    +0.126 C 
ATOM     16  C   LIG    1       -2.965   1.519   1.068  0.00  0.00    +0.124 C 
ATOM     17  N   LIG    1       -1.737   0.725   0.857  0.00  0.00    -0.326 N 
ATOM     18  C   LIG    1       -1.699  -0.111  -0.361  0.00  0.00    +0.124 C 
ATOM     19  C   LIG    1       -3.111  -0.525  -0.825  0.00  0.00    +0.126 C 
ATOM     20  O   LIG    1       -5.883   1.587  -1.919  0.00  0.00    -0.276 OA
ENDBRANCH   1  17
BRANCH   4  21
ATOM     21  C   LIG    1        3.814  -0.492   0.158  0.00  0.00    +0.171 C 
ATOM     22  C   LIG    1        3.620  -1.884  -0.452  0.00  0.00    +0.240 C 
ATOM     23  O   LIG    1        2.888  -2.748   0.028  0.00  0.00    -0.273 OA
ATOM     24  N   LIG    1        4.381  -2.156  -1.567  0.00  0.00    -0.255 N 
ATOM     25  H   LIG    1        4.264  -3.077  -1.967  0.00  0.00    +0.158 HD
ATOM     26  C   LIG    1        5.158  -1.285  -2.289  0.00  0.00    +0.219 C 
ATOM     27  O   LIG    1        5.725  -1.646  -3.316  0.00  0.00    -0.275 OA
ATOM     28  C   LIG    1        5.324   0.106  -1.721  0.00  0.00    +0.098 C 
ATOM     29  C   LIG    1        4.092   0.533  -0.937  0.00  0.00    +0.041 C 
ENDBRANCH   4  21
TORSDOF 2