136144 -OEChem-03282417493D 33 33 0 0 0 0 0 0 0999 V2000 2.0363 -1.4557 0.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3429 -0.2599 -0.6382 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5805 -1.6639 0.7019 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3454 1.1296 0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 -1.9224 -0.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0095 1.6906 0.5095 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8621 -1.7391 -0.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0632 1.8057 -0.5771 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 -0.3496 -0.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4719 2.0092 -0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0945 0.7555 0.6236 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3655 -2.3656 -0.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6573 -1.3803 1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3617 -0.4175 -1.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7105 -0.2697 -1.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 -2.5357 1.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2511 -0.8332 1.3181 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0479 1.1196 0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7601 1.8389 -0.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1643 -1.3100 -1.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2441 -2.9625 -0.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6613 1.1147 1.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1934 2.6967 0.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4429 -2.4633 -0.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0299 -1.9933 0.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1854 2.6677 -1.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0635 0.9400 -1.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1570 -0.0632 -1.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5279 -0.4493 -0.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4474 2.8115 0.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1293 2.3579 -0.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0339 1.0695 1.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4747 0.3848 1.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 4 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 5 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 8 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 M END > 136144 > 0.6 > 1 2 3 > 0 > 2.2 > 0 > 11 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 000213D000000001 > 16.9908 > 0 > 14251711 518 18339635758386138935 14251717 144 17690834567611968901 14251745 187 18126287673737457816 15775835 57 18337964393384845896 16945 1 18411419526825827648 18185500 45 18266456692663011031 20201158 50 18050561043271849167 22802520 49 18198926810468223230 23552423 10 18263927820351393069 241688 4 18337954605149077817 2748010 2 18266457809349285239 2897 32 18336829787537089852 63268167 104 18409729581712083946 66348 1 18410574006700192639 > 226.37 3.58 2.78 0.83 0.19 0.05 0.01 -0.07 -0.13 -0.25 0.04 0.03 -0.01 -0.18 > 416.676 > 140.9 > 2 5 10 $$$$