NAME eza IO_STRING eza Z TYPE LIGAND AA UNK ATOM C2 aroC X -0.01 ATOM N2 Nhis X -0.43 ATOM C1 aroC X -0.01 ATOM S1 S X -0.06 ATOM N1 Ntrp X -0.51 ATOM ZN Zn2p X 2.10 ATOM H1 Hpol X 0.53 ATOM O1 OOC X -0.66 ATOM O2 OOC X -0.66 ATOM S2 S X -0.06 ATOM C3 aroC X -0.01 ATOM C4 aroC X -0.01 ATOM C5 aroC X -0.01 ATOM O3 OH X -0.56 ATOM C8 CH2 X -0.08 ATOM C9 CH3 X -0.17 ATOM H7 Hapo X 0.20 ATOM H8 Hapo X 0.20 ATOM H9 Hapo X 0.20 ATOM H5 Hapo X 0.20 ATOM H6 Hapo X 0.20 ATOM C6 aroC X -0.01 ATOM C7 aroC X -0.01 ATOM H4 Haro X 0.22 ATOM H3 Haro X 0.22 ATOM H2 Haro X 0.22 BOND_TYPE ZN N1 1 BOND_TYPE C1 S1 1 BOND_TYPE C1 N2 4 BOND_TYPE C1 S2 4 BOND_TYPE N1 H1 1 BOND_TYPE N1 S1 1 BOND_TYPE O1 S1 2 BOND_TYPE S1 O2 2 BOND_TYPE C2 N2 4 BOND_TYPE C2 C3 4 BOND_TYPE C2 C7 4 BOND_TYPE S2 C3 4 BOND_TYPE C3 C4 4 BOND_TYPE O3 C5 1 BOND_TYPE O3 C8 1 BOND_TYPE C4 H2 1 BOND_TYPE C4 C5 4 BOND_TYPE C5 C6 4 BOND_TYPE C6 H3 1 BOND_TYPE C6 C7 4 BOND_TYPE C7 H4 1 BOND_TYPE C8 H5 1 BOND_TYPE C8 H6 1 BOND_TYPE C8 C9 1 BOND_TYPE C9 H7 1 BOND_TYPE C9 H8 1 BOND_TYPE C9 H9 1 CHI 1 N2 C1 S1 N1 CHI 2 C1 S1 N1 ZN CHI 3 C4 C5 O3 C8 CHI 4 C5 O3 C8 C9 NBR_ATOM C2 NBR_RADIUS 7.711836 CHARGE ZN FORMAL 2 CHARGE N1 FORMAL -1 ICOOR_INTERNAL C2 0.000000 0.000000 0.000000 C2 N2 C1 ICOOR_INTERNAL N2 0.000000 179.999999 1.397728 C2 N2 C1 ICOOR_INTERNAL C1 0.000001 72.044191 1.341093 N2 C2 C1 ICOOR_INTERNAL S1 -177.782145 60.410212 1.779695 C1 N2 C2 ICOOR_INTERNAL N1 -57.697293 71.529171 1.619809 S1 C1 N2 ICOOR_INTERNAL ZN -118.358802 63.892121 1.957637 N1 S1 C1 ICOOR_INTERNAL H1 55.077612 70.540141 1.020122 N1 S1 ZN ICOOR_INTERNAL O1 -115.765936 78.360427 1.442728 S1 C1 N1 ICOOR_INTERNAL O2 -123.441582 74.091047 1.461985 S1 C1 O1 ICOOR_INTERNAL S2 178.017160 64.119913 1.653966 C1 N2 S1 ICOOR_INTERNAL C3 -0.134732 88.429420 1.701142 S2 C1 N2 ICOOR_INTERNAL C4 -179.907939 51.114994 1.417770 C3 S2 C1 ICOOR_INTERNAL C5 -179.541928 65.913280 1.418198 C4 C3 S2 ICOOR_INTERNAL O3 178.366568 59.907627 1.401272 C5 C4 C3 ICOOR_INTERNAL C8 -0.334910 60.292208 1.430368 O3 C5 C4 ICOOR_INTERNAL C9 -175.840736 75.297087 1.543002 C8 O3 C5 ICOOR_INTERNAL H7 -58.020996 70.529534 1.070204 C9 C8 O3 ICOOR_INTERNAL H8 -120.003888 70.535357 1.069773 C9 C8 H7 ICOOR_INTERNAL H9 -119.973838 70.557019 1.069563 C9 C8 H8 ICOOR_INTERNAL H5 -119.243407 69.348211 1.069823 C8 O3 C9 ICOOR_INTERNAL H6 -118.774818 67.732961 1.070286 C8 O3 H5 ICOOR_INTERNAL C6 -177.343858 56.846513 1.391575 C5 C4 O3 ICOOR_INTERNAL C7 -3.049387 58.042463 1.369435 C6 C5 C4 ICOOR_INTERNAL H4 -176.804102 57.868467 1.032212 C7 C6 C5 ICOOR_INTERNAL H3 179.973046 60.981533 1.032421 C6 C5 C7 ICOOR_INTERNAL H2 179.989889 57.049016 1.032542 C4 C3 C5