NAME ETY IO_STRING ETY X TYPE POLYMER AA UNK ATOM O3 OH X -0.51 ATOM C9 CH2 X -0.03 ATOM C10 CH2 X -0.03 ATOM O1 OOC X -0.61 ATOM HX1 Hapo X 0.24 ATOM HX2 Hapo X 0.24 ATOM H91 Hapo X 0.24 ATOM H92 Hapo X 0.24 LOWER_CONNECT O1 UPPER_CONNECT O3 BOND O3 C9 BOND C9 H91 BOND C9 H92 BOND C9 C10 BOND C10 O1 BOND C10 HX1 BOND C10 HX2 CHI 1 O3 C9 C10 O1 #CHI 2 HX1 O3 C9 C10 PROPERTIES LIGAND NBR_ATOM C9 NBR_RADIUS 6.889478 ICOOR_INTERNAL O3 0.0 0.0 0.0 O3 C9 C10 ICOOR_INTERNAL C9 0.0 180.0 1.5071904743782423 O3 C9 C10 ICOOR_INTERNAL C10 -0.019816158066401687 67.67740676895183 1.6725111361042406 C9 O3 C10 ICOOR_INTERNAL O1 112.04211565376644 66.82185747145978 1.5083632052206057 C10 C9 O3 ICOOR_INTERNAL H91 120.2863131772383 70.97374134614408 1.1567749634399718 C9 O3 C10 ICOOR_INTERNAL H92 118.10886481247121 70.1884208746685 1.1547806429724374 C9 O3 H91 ICOOR_INTERNAL HX1 -121.14950506904417 71.07374765627901 1.1558365968313498 C10 C9 O1 ICOOR_INTERNAL HX2 -118.02162575271994 71.5343828483095 1.1572830799290832 C10 C9 HX1 ICOOR_INTERNAL UPPER 86.93425972044105 56.93676864509088 1.4459312648254683 O3 C9 C10 ICOOR_INTERNAL LOWER -68.83359206020707 58.956384525330996 1.4370470955851253 O1 C10 C9