5283324 -OEChem-10012102563D 23 22 0 0 0 0 0 0 0999 V2000 3.8113 1.3494 -0.1769 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7844 0.0405 -0.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 -1.3830 0.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1994 0.3491 0.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0586 -1.7378 -0.3012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6117 1.7711 -0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1139 -0.8918 0.3529 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9922 -0.1519 -0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9844 0.6543 0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7350 0.1597 -1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0907 0.7680 0.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4509 -1.5126 1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0603 -2.0977 -0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9108 -0.3526 -0.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2549 0.2151 1.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1253 -1.6691 -1.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2546 -2.7852 -0.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9394 2.4990 0.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6268 1.9692 0.2637 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5959 1.9312 -1.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1429 -0.9081 1.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0004 -0.1112 -1.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9425 0.5965 1.5014 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 8 2 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 M END > 5283324 > 0.6 > 2 37 48 30 34 1 47 43 20 15 3 49 22 38 36 17 31 44 46 33 12 19 29 6 45 28 23 5 13 35 42 14 7 9 40 26 27 4 41 10 32 39 24 25 16 21 11 8 18 > 8 1 -0.57 21 0.15 22 0.15 23 0.06 5 0.14 7 -0.29 8 -0.14 9 0.5 > 5 > 3 1 1 acceptor 1 6 hydrophobe 5 2 3 4 5 7 hydrophobe > 9 > 0 > 0 > 1 > 0 > 0 > 1 > 1 > 00509DFC00000002 > -0.5891 > 15.223 > 10149128 111 18411139134181109401 10149128 76 18411699846651598887 122479 349 18334860523678246297 13618510 140 18340486668970049937 14251710 61 10015569632513939117 14325111 11 18411418397397342667 14390081 3 18412263909112352139 15775835 57 18409166614584100656 170605 34 18409730617010406739 177051 138 8430308039535720201 17834072 32 18410015480632398612 18342897 96 18343578572844677919 20211469 16 8862942783816193511 20281407 28 8862943887533260798 20653085 51 18411991268730635514 20711983 171 18411417358299899006 20767249 462 18335698321548057421 20828058 34 18272657856707971384 21524375 3 18411973650690404179 23500284 214 18410017641063511689 6430166 295 18410570678617457496 8199 26 18411420604831516081 > 179.35 6.66 1.83 0.68 0.14 0.05 -0.01 -5.12 -0.12 -0.33 0.08 0.03 0.02 0.05 > 322.318 > 115.5 > 2 5 10 $$$$