266 -OEChem-03282420363D 19 18 0 0 0 0 0 0 0999 V2000 -2.0723 0.0995 -0.0913 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.5326 0.5928 -0.0753 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4726 -1.4574 0.0805 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3073 -0.4911 1.3954 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8993 1.4894 -0.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4393 -0.8240 -1.2157 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8133 0.5744 0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0747 -0.2867 0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3498 0.5414 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5404 -0.2384 0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8077 1.2318 0.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8064 1.1928 -0.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0969 -0.8938 0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0513 -0.9896 -0.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3762 1.1278 -0.9889 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2280 -0.1116 -0.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4227 1.2303 0.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9643 -1.3845 1.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8744 1.4630 -0.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 2 10 1 0 0 0 0 3 10 2 0 0 0 0 4 18 1 0 0 0 0 5 19 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 M END > 266 > 0.6 > 1 32 34 20 9 21 10 33 11 15 26 31 6 28 14 4 16 30 19 7 23 17 2 13 29 8 12 27 24 5 22 25 3 18 > 10 1 1.51 10 0.66 18 0.5 19 0.5 2 -0.42 3 -0.57 4 -0.77 5 -0.77 6 -0.7 7 0.06 > 4 > 6 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 9 hydrophobe 4 1 4 5 6 anion > 10 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0000010A00000001 > -28.4682 > 30.484 > 12932764 1 18131349713359612410 14325111 11 18410292502027911076 14390081 3 18411979135300220753 15775835 57 18272087175644495204 18186145 218 17418096529280365688 190213 19 17458061582274417352 20645464 45 17603590690484378403 23402539 116 16226314993887648207 3248919 1 17894347782979789422 5084963 1 17988917933140927009 > 180.3 6.41 1.12 0.86 4.64 0.02 0.07 1.3 -0.17 -0.48 -0.04 -0.66 -0.17 -0.06 > 322.608 > 116.9 > 2 5 10 $$$$