REMARK  Name = LIG001947
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.715  -0.067   0.328  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        1.688  -0.823  -0.172  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1        1.722  -1.948  -0.633  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.474  -0.021  -0.042  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        0.837   1.197   0.496  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -0.089   2.190   0.731  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1       -1.422   1.908   0.408  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -1.813   0.657  -0.135  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -0.834  -0.320  -0.372  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        2.283   1.175   0.706  0.00  0.00    +0.254 C 
ATOM     11  O   LIG    1        2.927   2.118   1.123  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1        8.193   0.075  -0.026  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        6.980  -0.082   0.074  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        6.135   0.252  -0.955  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        6.569   0.685  -1.760  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        4.759   0.199  -0.971  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        4.131   0.622  -1.940  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        4.108  -0.477   0.240  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1        4.924  -0.199   1.499  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        6.345  -0.705   1.296  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  N   LIG    1       -3.161   0.413  -0.463  0.00  0.00    -0.329 N 
ATOM     22  C   LIG    1       -4.339   1.060   0.069  0.00  0.00    +0.116 C 
ATOM     23  C   LIG    1       -5.099  -0.107  -0.479  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1       -6.011   0.096  -1.654  0.00  0.00    +0.092 C 
ATOM     25  N   LIG    1       -7.149  -0.013  -0.700  0.00  0.00    -0.315 NA
ATOM     26  H   LIG    1       -7.928  -0.582  -1.028  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1       -6.253  -0.680   0.281  0.00  0.00    +0.092 C 
ATOM     28  C   LIG    1       -3.821  -0.859  -0.632  0.00  0.00    +0.116 C 
ENDBRANCH   8  21
TORSDOF 2