LJ9K3E -OEChem-05032301092D 26 27 0 1 0 0 0 0 0999 V2000 4.5929 2.0466 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1249 0.2071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 -1.4401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0929 -0.4922 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2839 -1.0800 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9019 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5929 -2.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5929 -2.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0929 0.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3328 -0.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9019 1.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2839 1.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5929 2.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6453 -0.2108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1869 -0.4677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4683 -1.3322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2119 -0.5431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9864 -2.1600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6577 -2.6477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5281 -2.6477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1993 -2.1600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4916 0.9039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 0.9039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7186 -2.0466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9573 2.5482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 10 2 0 0 0 0 3 10 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 6 0 0 0 4 14 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 6 0 0 0 5 15 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 8 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 11 1 0 0 0 0 9 12 2 0 0 0 0 11 13 2 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 13 26 1 0 0 0 0 M END $$$$