10421409 -OEChem-03292409113D 30 31 0 0 0 0 0 0 0999 V2000 4.7268 0.4386 -0.6022 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2617 2.0841 0.2669 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7113 -2.8632 -0.1572 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0350 0.0065 0.2866 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6979 -0.2454 0.1716 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6512 0.7363 0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1758 -0.5518 -0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1947 0.9497 0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0386 -1.0253 0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1695 -1.4708 0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2807 -1.7206 -0.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5123 1.8404 0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4305 -0.4518 0.4658 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5581 -0.7397 -0.1777 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8900 1.6508 -0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4119 0.3633 -0.1823 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0259 0.9989 -0.4686 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0053 -1.5506 -0.6896 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8513 -1.7518 1.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3231 0.9776 0.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7854 -2.3648 0.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1641 -1.2662 0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4876 0.0889 1.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1312 2.8547 0.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9875 -1.7342 -0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5567 2.5083 -0.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4847 0.2185 -0.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7867 0.2126 -0.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1015 1.5758 0.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1991 1.6714 -1.3131 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 17 1 0 0 0 0 2 8 2 0 0 0 0 3 11 2 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 20 1 0 0 0 0 5 8 1 0 0 0 0 5 10 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 2 0 0 0 0 7 11 1 0 0 0 0 7 14 2 0 0 0 0 9 13 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 12 15 1 0 0 0 0 12 24 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 25 1 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 M END > 10421409 > 0.6 > 1 17 10 21 24 14 3 11 18 23 8 13 22 7 9 6 20 15 2 25 5 12 16 4 19 > 23 1 -0.56 10 -0.14 11 0.47 12 -0.15 13 0.28 14 -0.15 15 -0.15 16 -0.15 17 0.28 2 -0.57 20 0.4 21 0.15 24 0.15 25 0.15 26 0.15 27 0.15 3 -0.57 4 -0.87 5 0.11 6 0.09 7 0.09 8 0.47 9 0.37 > 4 > 7 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 cation 1 4 donor 6 5 6 7 8 10 11 rings 6 6 7 12 14 15 16 rings > 17 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 009F04A100000001 > 44.8959 > 35.542 > 10411042 1 17906171007729308519 10730089 173 18410296913360387236 10967382 1 18267862788168672955 11578080 2 13900257394203367752 11680986 33 18125431162447517257 12236239 1 17967249802311891714 12390115 104 18129676183669370769 12403814 3 17531242842292992437 13140716 1 18195814183502720075 13897977 58 18407761443198027348 14790565 3 18196660592233606161 15196674 1 18338796715044520170 15375358 24 18202001014893432870 15415430 112 18411419540022115266 16945 1 18411130360169494219 17804303 29 18343017830588758281 200 152 14620797089548307538 20510252 161 18200875058904115313 20645477 56 18411138034838046338 20645477 70 16845021113444890998 20871999 31 18411133679741559078 21029758 11 18272644649778735129 21029758 27 18260834821259961789 21267235 1 18410863195496468539 23175994 123 16845573136120406665 23402539 116 18271514334597747231 23557571 272 18272661177171242022 23559900 14 18271527508011673022 2748010 2 17979629358279402443 293599 30 18411137991973107193 3004659 81 18337392639814311978 34934 24 18408318882898565362 350125 39 18410576184998133241 3545911 37 18410858750996192236 4340502 62 16515692095967950857 474 4 17386012814589643676 5104073 3 18408602531249879058 54173680 148 18265893743142678115 59755656 520 16950284014444788258 9709674 26 18343024367687764606 > 327.26 10 2.17 0.66 14.2 0.55 0.01 -3.36 1.38 -1.35 0.04 0.2 -0.02 -0.44 > 697.582 > 181.5 > 2 5 10 $$$$