6941 -OEChem-03282410033D 15 15 0 0 0 0 0 0 0999 V2000 0.7265 -2.7387 0.2254 I 0 0 0 0 0 0 0 0 0 0 0 0 2.1263 1.2290 0.9458 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4369 -0.0407 -0.9138 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2301 0.2804 -0.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3806 -0.9684 0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5507 1.4322 -0.1451 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7720 -1.0656 0.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9421 1.3352 -0.1282 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5527 0.0862 -0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6782 0.4505 -0.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0922 2.4134 -0.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2716 -2.0269 0.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5502 2.2317 -0.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6361 0.0110 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1008 1.3397 0.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 10 1 0 0 0 0 2 15 1 0 0 0 0 3 10 2 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 10 1 0 0 0 0 5 7 2 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 M END > 6941 > 0.4 > 1 2 > 15 1 -0.08 10 0.63 11 0.15 12 0.15 13 0.15 14 0.15 15 0.5 2 -0.65 3 -0.57 4 0.09 5 0.08 6 -0.15 7 -0.15 8 -0.15 9 -0.15 > 1 > 5 1 1 hydrophobe 1 2 acceptor 1 3 acceptor 3 2 3 10 anion 6 4 5 6 7 8 9 rings > 10 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00001B1D00000001 > 30.5876 > 25.429 > 12423570 1 10339607198014183701 12897270 3 18410292501827509637 14128692 85 17833834867491365190 16945 1 18408885139923829589 193761 8 18121216476827698915 20645464 45 18129656525593136984 20871998 184 17765719400764869838 21040471 1 18408322193932988245 21501502 16 18193841431792659199 23211744 41 18130782429636476748 23552423 10 18117284657343026167 2748010 2 18193278730768070991 29004967 10 16773805804678405356 369184 2 16773802536271564105 5084963 1 18272100429908315309 5255222 1 18265896856513530021 66348 1 18409730651211921939 7364860 26 18197771103198215314 > 205.99 3.19 2.45 0.77 0.62 1.18 0.02 -0.2 -0.17 -1.33 0.28 -0.28 -0.09 0.06 > 410.399 > 125 > 2 5 10 $$$$