NAME LFF IO_STRING LFF Z TYPE LIGAND AA UNK ATOM C1 CH1 X -0.07 ATOM F1 F X -0.23 ATOM C2 CH2 X -0.16 ATOM C3 CH1 X -0.07 ATOM N1 Nlys X -0.60 ATOM H5 Hpol X 0.45 ATOM H6 Hpol X 0.45 ATOM H7 Hpol X 0.45 ATOM C4 COO X 0.64 ATOM O1 OOC X -0.74 ATOM O2 OOC X -0.74 ATOM H4 Hapo X 0.12 ATOM H2 Hapo X 0.12 ATOM H3 Hapo X 0.12 ATOM C5 aroC X -0.09 ATOM C6 aroC X -0.09 ATOM C7 aroC X -0.09 ATOM C8 aroC X -0.09 ATOM C9 aroC X -0.09 ATOM C10 aroC X -0.09 ATOM H12 Haro X 0.14 ATOM H11 Haro X 0.14 ATOM H10 Haro X 0.14 ATOM H9 Haro X 0.14 ATOM H8 Haro X 0.14 ATOM H1 Hapo X 0.12 BOND_TYPE F1 C1 1 BOND_TYPE C1 C2 1 BOND_TYPE C1 C5 1 BOND_TYPE C1 H1 1 BOND_TYPE C2 C3 1 BOND_TYPE C2 H2 1 BOND_TYPE C2 H3 1 BOND_TYPE C3 N1 1 BOND_TYPE C3 C4 1 BOND_TYPE C3 H4 1 BOND_TYPE N1 H5 1 BOND_TYPE N1 H6 1 BOND_TYPE N1 H7 1 BOND_TYPE C4 O1 1 BOND_TYPE C4 O2 2 BOND_TYPE C5 C6 2 BOND_TYPE C5 C10 1 BOND_TYPE C6 C7 1 BOND_TYPE C6 H8 1 BOND_TYPE C7 C8 2 BOND_TYPE C7 H9 1 BOND_TYPE C8 C9 1 BOND_TYPE C8 H10 1 BOND_TYPE C9 C10 2 BOND_TYPE C9 H11 1 BOND_TYPE C10 H12 1 CHI 1 F1 C1 C2 C3 CHI 2 F1 C1 C5 C6 CHI 3 C1 C2 C3 N1 CHI 4 C2 C3 C4 O1 NBR_ATOM C1 NBR_RADIUS 5.872025 ICOOR_INTERNAL C1 0.000000 0.000000 0.000000 C1 F1 C2 ICOOR_INTERNAL F1 0.000000 179.999999 1.391924 C1 F1 C2 ICOOR_INTERNAL C2 0.000000 71.185667 1.490677 C1 F1 C2 ICOOR_INTERNAL C3 -48.765880 62.345000 1.531325 C2 C1 F1 ICOOR_INTERNAL N1 -178.224461 70.466494 1.489804 C3 C2 C1 ICOOR_INTERNAL H5 -63.577001 70.499895 1.049945 N1 C3 C2 ICOOR_INTERNAL H6 -119.987161 70.548378 1.049976 N1 C3 H5 ICOOR_INTERNAL H7 -120.014822 70.545595 1.049969 N1 C3 H6 ICOOR_INTERNAL C4 -119.506069 69.027824 1.490016 C3 C2 N1 ICOOR_INTERNAL O1 -84.165531 67.379915 1.360007 C4 C3 C2 ICOOR_INTERNAL O2 179.994251 57.643201 1.220073 C4 C3 O1 ICOOR_INTERNAL H4 -120.386803 70.862131 1.069920 C3 C2 C4 ICOOR_INTERNAL H2 -121.159834 72.621172 1.069950 C2 C1 C3 ICOOR_INTERNAL H3 -117.675342 72.619471 1.069985 C2 C1 H2 ICOOR_INTERNAL C5 122.192364 70.286845 1.504065 C1 F1 C2 ICOOR_INTERNAL C6 149.112647 59.970697 1.386253 C5 C1 F1 ICOOR_INTERNAL C7 -179.742770 59.990776 1.382055 C6 C5 C1 ICOOR_INTERNAL C8 -0.253981 60.007978 1.386161 C7 C6 C5 ICOOR_INTERNAL C9 0.251917 59.989385 1.382134 C8 C7 C6 ICOOR_INTERNAL C10 -0.252996 60.013301 1.386172 C9 C8 C7 ICOOR_INTERNAL H12 -179.746498 60.005195 1.040013 C10 C9 C8 ICOOR_INTERNAL H11 179.992959 59.993548 1.040004 C9 C8 C10 ICOOR_INTERNAL H10 -179.997175 60.007240 1.040030 C8 C7 C9 ICOOR_INTERNAL H9 179.998354 59.995015 1.040013 C7 C6 C8 ICOOR_INTERNAL H8 -179.993992 60.005889 1.040004 C6 C5 C7 ICOOR_INTERNAL H1 119.206537 70.008613 1.069958 C1 F1 C5 PDB_ROTAMERS ./LFF_conf.pdb