REMARK  Name = LIG001716
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.926   0.001   0.601  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        0.662  -0.163   0.093  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1        0.231  -1.181  -0.414  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -0.062   1.109   0.288  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1        0.862   1.978   0.867  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        0.580   3.291   1.193  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -0.702   3.744   0.918  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -1.648   2.878   0.335  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -1.361   1.530   0.010  0.00  0.00    +0.043 A 
ATOM     10  C   LIG    1        2.127   1.274   1.037  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1        3.140   1.786   1.474  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1        6.842  -2.399   0.110  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        5.694  -1.984   0.233  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        5.097  -1.249  -0.761  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        5.681  -1.024  -1.555  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        3.858  -0.646  -0.739  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        3.503   0.079  -1.666  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        2.970  -1.004   0.457  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1        3.826  -1.203   1.706  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        4.846  -2.301   1.443  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   9  21
ATOM     21  N   LIG    1       -2.374   0.751  -0.579  0.00  0.00    -0.328 N 
ATOM     22  C   LIG    1       -3.802   0.971  -0.529  0.00  0.00    +0.116 C 
ATOM     23  C   LIG    1       -3.944  -0.438  -1.004  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1       -5.008  -1.319  -0.433  0.00  0.00    +0.092 C 
ATOM     25  N   LIG    1       -5.723  -1.225  -1.734  0.00  0.00    -0.315 NA
ATOM     26  H   LIG    1       -6.490  -0.552  -1.730  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1       -4.485  -0.702  -2.376  0.00  0.00    +0.092 C 
ATOM     28  C   LIG    1       -2.503  -0.679  -0.704  0.00  0.00    +0.116 C 
ENDBRANCH   9  21
TORSDOF 2