L82JGQ -OEChem-05022323032D 42 44 0 1 0 0 0 0 0999 V2000 3.7601 1.2694 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7601 1.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7601 1.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 2.2694 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7601 -2.7306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 2.7694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6261 3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 4.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -3.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 -4.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -3.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 -4.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 2.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2367 3.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8382 4.3520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2835 2.8771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6820 2.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1586 4.7444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3616 4.7444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6820 4.3520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2835 3.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1821 1.7325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0291 1.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8021 2.8064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 0.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 0.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 -1.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -1.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6536 -4.3983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3249 -4.8860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1588 -3.1268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6245 -4.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 1 13 1 0 0 0 0 4 19 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 6 16 1 0 0 0 0 6 19 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 1 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 17 1 0 0 0 0 14 35 1 0 0 0 0 15 18 2 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 20 22 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 M END $$$$