7859 -OEChem-03282414093D 8 7 0 0 0 0 0 0 0999 V2000 -1.6526 -0.4924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7514 0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6336 0.1352 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7704 -0.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9541 1.2068 -0.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9608 1.2273 0.8771 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5237 -0.9781 0.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7789 -0.5921 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 4 3 0 0 0 0 4 8 1 0 0 0 0 M END > 7859 > 0.4 > 1 > 6 1 -0.68 2 0.48 3 -0.2 4 -0.18 7 0.4 8 0.18 > 0 > 3 1 1 acceptor 1 1 donor 1 4 hydrophobe > 4 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00001EB300000001 > 0.8269 > 15.223 > 139733 1 9223235147688792193 20096714 4 18041286486745728932 21015797 1 10230881483821377928 5460574 1 9295290542872237152 > 76.45 2.21 0.76 0.59 0.14 0.04 0 -0.38 0 -0.13 0 0.04 0.01 0 > 129.586 > 51.2 > 2 5 10 $$$$