NAME TPA IO_STRING TPA X TYPE POLYMER AA UNK ATOM C1 CH1 X 0.06 ATOM O2 OOC X -0.61 ATOM C2 CH1 X 0.06 ATOM C4 CH1 X 0.06 ATOM C3 CH1 X 0.06 ATOM C7 CH1 X 0.06 ATOM C6 CH1 X 0.06 ATOM C5 CH1 X 0.06 ATOM H51 Hapo X 0.24 ATOM H61 Hapo X 0.24 ATOM C8 CH1 X 0.06 ATOM O4 OOC X -0.61 ATOM H31 Hapo X 0.24 ATOM H41 Hapo X 0.24 LOWER_CONNECT C8 UPPER_CONNECT C1 BOND_TYPE C1 O2 DOUBLE BOND C1 C2 BOND_TYPE C2 C4 ARO BOND_TYPE C2 C5 ARO CUT_BOND C2 C5 BOND C3 H31 BOND_TYPE C3 C4 ARO BOND_TYPE C3 C7 ARO BOND C4 H41 BOND C5 H51 BOND_TYPE C5 C6 ARO BOND C6 H61 BOND_TYPE C6 C7 ARO BOND C7 C8 BOND_TYPE C8 O4 DOUBLE PROPERTIES LIGAND ADD_RING 1 AROMATIC C2 C4 C3 C7 C6 C5 CHI 1 O2 C1 C2 C4 CHI 2 C6 C7 C8 O4 NBR_ATOM C7 NBR_RADIUS 6.889478 ICOOR_INTERNAL C1 0.0 0.0 0.0 C1 C2 C4 ICOOR_INTERNAL C2 0.0 179.98695528560916 1.6175439623752765 C1 C2 C4 ICOOR_INTERNAL C4 0.0 60.6320276725104 1.5145258953081142 C2 C1 C4 ICOOR_INTERNAL C3 173.42329182348408 59.89059996218824 1.5144773794385376 C4 C2 C1 ICOOR_INTERNAL C7 0.36080506456397227 59.9513977858808 1.5124327856690447 C3 C4 C2 ICOOR_INTERNAL C6 2.262603527563731 60.216942625401906 1.5129389063049457 C7 C3 C4 ICOOR_INTERNAL C5 -2.9962384978967145 59.80589473984842 1.5138992704239904 C6 C7 C3 ICOOR_INTERNAL C8 -177.92836530308313 59.99680931771624 1.6153072396023056 C7 C3 C6 ICOOR_INTERNAL O2 10.257576810954536 55.367091043826264 1.2408188372480435 C1 C2 C4 ICOOR_INTERNAL O4 -78.86970629552309 56.15187500246063 1.2430412181873192 C8 C7 C3 ICOOR_INTERNAL H31 -178.39146768255557 60.03470985793552 1.117221166894968 C3 C4 C7 ICOOR_INTERNAL H41 -177.76766292524826 59.990743430967164 1.1165881971694862 C4 C2 C3 ICOOR_INTERNAL H51 -177.6334673928182 60.279623804286494 1.1165852651961024 C5 C6 C7 ICOOR_INTERNAL H61 -178.4327363939227 59.997536879932255 1.1157688071589107 C6 C7 C5 ICOOR_INTERNAL UPPER -166.324546357963 67.51465177083074 1.4433387273678235 C1 C2 C4 ICOOR_INTERNAL LOWER 101.2375426252461 64.98432482379826 1.4459312648254683 C8 C7 C3