'## DATA LIST FOR SUPERPOSITION OF MOLECULES USED IN THE PAPER OF FKCOMBU (2014).##
## provided by Takeshi Kawabata (kawabata@protein.osaka-u.ac.jp)                ##
#COMMAND '/home/takawaba/work/kcombu/src/fpython/mkliginfo.py -L NEU.liglist -of NEU_ligands.txt -proname NEU'
#DATE    '2014/05/01 14:45:40'
#[1:receptor_protein_name]
#[2:ligand_filename] [3:PDB_ID] [4:ligand 3-letter name] [5:ligand author_asym_id(chain_id)]
#[6:ligand author_seq_id] [7:ligand label_asym_id]
#[8:protein_filename] [9:protein author_asym_id(chain_id)] [10:protein label_asym_id]
#[11:Nheavyatom] [12:Nrotbond]
NEU G20_2qwf_1_G_1.pdb 2qwf G20 A  800 G 2qwf_1_A_1.pdb A A 24 9
NEU GNA_2qwe_1_G_1.pdb 2qwe GNA A  800 G 2qwe_1_A_1.pdb A A 23 8
NEU DAN_2qwc_1_G_1.pdb 2qwc DAN A  800 G 2qwc_1_A_1.pdb A A 20 6
NEU 49A_1f8e_1_H_1.pdb 1f8e 49A A    0 H 1f8e_1_A_1.pdb A A 20 6
NEU 9AM_1f8d_1_H_1.pdb 1f8d 9AM A    0 H 1f8d_1_A_1.pdb A A 20 6
NEU G39_2qwh_1_E_1.pdb 2qwh G39 A  800 E 2qwh_1_A_1.pdb A A 20 7
NEU SIA_2c4a_1_B_1.pdb 2c4a SIA A 1469 B 2c4a_1_A_1.pdb A A 21 6
NEU ABW_1xog_1_F_1.pdb 1xog ABW A 1000 F 1xog_1_A_1.pdb A A 21 8
NEU ZGE_3w09_1_L_1.pdb 3w09 ZGE A  520 L 3w09_1_A_1.pdb A A 24 8
NEU 4AM_1f8c_1_H_1.pdb 1f8c 4AM A    4 H 1f8c_1_A_1.pdb A A 20 6
NEU DPC_1bji_1_G_1.pdb 1bji DPC A  479 G 1bji_1_A_1.pdb A A 28 10
NEU BCZ_1l7f_1_G_1.pdb 1l7f BCZ A  801 G 1l7f_1_A_1.pdb A A 23 9
NEU 3LV_4dgr_1_I_1.pdb 4dgr 3LV A  488 I 4dgr_1_A_1.pdb A A 27 14
NEU G28_2qwg_1_G_1.pdb 2qwg G28 A  800 G 2qwg_1_A_1.pdb A A 21 7
NEU ZMR_1nnc_1_G_1.pdb 1nnc ZMR A  479 G 1nnc_1_A_1.pdb A A 23 8
NEU ABX_1xoe_1_F_1.pdb 1xoe ABX A  500 F 1xoe_1_A_1.pdb A A 21 8
NEU EQP_1iny_1_G_1.pdb 1iny EQP A  500 G 1iny_1_A_1.pdb A A 21 12
'