70635664 -OEChem-03292411513D 34 34 0 0 0 0 0 0 0999 V2000 -2.2627 0.6470 0.4742 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3469 0.0454 0.8855 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1208 -1.2500 -0.5317 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9097 -0.0200 0.2967 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0063 0.4394 -0.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9915 -1.1549 -0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3833 1.3469 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4552 -0.9263 0.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0655 1.5657 0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 -0.2405 -0.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2660 0.4931 -1.6897 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8801 -1.5760 0.3054 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2422 0.9078 0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2215 -0.2776 0.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9099 -0.0259 1.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3060 -2.1153 0.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0395 -1.2526 -1.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4755 1.4494 -1.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9685 2.1596 0.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0261 -1.7749 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 -1.0062 1.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1053 1.6519 1.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4252 2.5311 -0.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3513 -0.2686 -1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9262 1.3311 -1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7241 -0.4116 -2.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3377 0.6233 -2.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3910 -2.4261 -0.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9486 -1.6684 0.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7620 -1.6759 1.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2921 0.6750 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0219 1.8342 -0.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1571 1.0978 1.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0715 -0.5951 0.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 14 1 0 0 0 0 2 14 1 0 0 0 0 2 34 1 0 0 0 0 3 14 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 4 15 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 M END > 70635664 > 0.6 > 1 8 20 38 24 22 35 32 25 34 28 10 19 15 21 9 30 5 36 16 11 27 3 13 2 33 23 26 17 31 4 6 7 37 12 18 29 14 > 6 1 -0.43 14 0.87 2 -0.65 3 -0.57 34 0.5 5 0.28 > 4.2 > 5 1 2 acceptor 1 3 acceptor 3 10 12 13 hydrophobe 3 2 3 14 anion 6 4 5 6 7 8 9 rings > 14 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0435D09000000001 > 36.2519 > 25.428 > 10219947 1 18412827984204715250 11062470 55 10519983759861742226 11132069 177 18408599283764076394 11471102 20 18410569587273829644 11543360 7 15140976066292472842 11769659 78 18412821404119781927 11806522 49 18339357590850575399 12032990 46 18335986380836044818 12251169 10 18272657852782093737 13214271 11 18202278100144457189 13296908 3 18261664883930037412 13760787 5 18408602565224507790 14252887 29 18271538532359246050 14325111 11 18410854339532133160 14943859 89 11959726066745056269 15219456 202 18187920642896400916 15375462 189 18335417954467129002 15375462 478 17988646289508147009 15775835 57 17489587883140264108 16945 1 17603863424923066752 17844478 74 18040151803430267092 18186145 218 18412261718847713028 19422 9 18272091578249665688 200 152 18200863050671148447 20201158 50 18333170569927244666 20281407 28 17749391463891970882 20281475 54 18335139825312081158 20645477 70 18338506448291087822 20671657 1 18053103105687262492 21501502 16 18121501520589936318 22485316 2 18410290315488650274 23402539 116 18342448232242182110 23463225 33 18411138026380006574 23557571 272 17313664845769680988 25610 137 18409449172246140612 2748010 2 18122337982887994052 53655031 270 18343026562283618897 537710 114 18409455812429247060 57812782 119 17095239216023035532 83771 10 18408322172479309273 > 270.51 7.25 1.49 0.92 0.42 0.02 0.3 1.35 -1.28 0.75 -0.02 -0.51 -0.1 -0.04 > 538.712 > 158.7 > 2 5 10 $$$$