REMARK  Name = LIG000519
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.186   0.217   0.600  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -1.052   0.687   1.208  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1       -0.940   1.408   2.181  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.081   0.140   0.469  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -0.425  -0.617  -0.566  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        0.403  -1.267  -1.455  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1        1.788  -1.133  -1.264  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1        2.316  -0.359  -0.205  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        1.440   0.292   0.677  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1       -1.883  -0.545  -0.494  0.00  0.00    +0.254 C 
ATOM     11  O   LIG    1       -2.633  -1.060  -1.298  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -7.086   0.468  -1.169  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -6.054   0.482  -0.504  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -5.349   1.643  -0.335  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -5.667   2.384  -0.947  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -4.015   1.686  -0.026  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -3.284   2.540  -0.524  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -3.525   0.644   0.984  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1       -4.520  -0.489   1.239  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -5.449  -0.774   0.070  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  N   LIG    1        3.697  -0.181   0.033  0.00  0.00    -0.279 N 
ATOM     22  H   LIG    1        3.929   0.415   0.814  0.00  0.00    +0.155 HD
ATOM     23  C   LIG    1        4.762  -0.740  -0.666  0.00  0.00    +0.286 C 
ATOM     24  O   LIG    1        4.632  -1.514  -1.609  0.00  0.00    -0.266 OA
BRANCH  23  25
ATOM     25  C   LIG    1        6.068  -0.337  -0.178  0.00  0.00    +0.222 A 
ATOM     26  O   LIG    1        7.159  -0.895  -0.785  0.00  0.00    -0.350 OA
ATOM     27  N   LIG    1        8.321  -0.411  -0.207  0.00  0.00    -0.086 NA
ATOM     28  C   LIG    1        7.918   0.436   0.739  0.00  0.00    +0.157 A 
ATOM     29  C   LIG    1        6.515   0.524   0.804  0.00  0.00    +0.077 A 
ENDBRANCH  23  25
ENDBRANCH   8  21
TORSDOF 3