8818 -OEChem-03292407113D 24 24 0 0 0 0 0 0 0999 V2000 -3.7254 0.9495 0.1774 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0325 -1.1182 -0.4581 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0673 -0.1538 0.3925 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1269 -1.2060 0.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5609 1.0505 -0.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4388 -0.4273 0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0729 1.0275 -0.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3376 -0.5877 0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3924 0.4637 0.3405 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7790 0.0017 -0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1025 0.0808 1.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9663 -1.6400 -0.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1285 -2.0247 0.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1275 1.9937 -0.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3258 0.9409 -1.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1467 -0.8281 -0.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9131 -0.4952 1.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3561 1.6622 0.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5971 1.4065 -1.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3819 -0.8282 -1.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5775 -1.5190 0.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3838 0.6820 1.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1937 1.3869 -0.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6225 0.6301 -0.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 24 1 0 0 0 0 2 10 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 M END > 8818 > 0.6 > 1 20 3 4 15 16 18 14 12 2 17 13 9 5 8 10 7 6 11 19 > 5 1 -0.65 10 0.66 2 -0.57 24 0.5 9 0.06 > 4 > 4 1 1 acceptor 1 2 acceptor 3 1 2 10 anion 5 3 4 5 6 7 rings > 10 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0000227200000001 > 10.6514 > 20.355 > 10219947 1 17894630366094992332 11062470 55 18411136922225277848 12932764 1 17023176120000262539 14144814 61 18409729560258281547 14325111 11 18410856581125182067 15775835 57 18411704291774023213 170605 34 18187646950790755624 18186145 218 18040996228333973071 190213 19 17775286062300994346 20645477 70 18337950082670360559 20871998 22 18050565141346421882 21119208 17 18342458114645392981 23402655 69 18409729538767887301 3248919 1 17894631495354899555 > 194.06 6.46 1.23 0.67 3.05 0.01 0 -0.46 -0.23 -0.3 -0.08 -0.01 0 -0.35 > 378.405 > 118.3 > 2 5 10 $$$$