LGAU86 -OEChem-05022322082D 31 32 0 1 0 0 0 0 0999 V2000 4.5981 -0.2702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 2.7686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2702 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5411 1.8176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 1.8176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 2.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2845 0.9483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 1.2806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1075 2.0698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3566 2.0698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 1.2806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8385 2.8975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1672 3.3852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8676 3.2702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.7667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.3072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.4602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.4602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.0802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.0802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 23 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 6 0 0 0 4 16 1 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 13 1 0 0 0 0 11 27 1 0 0 0 0 12 14 2 0 0 0 0 12 28 1 0 0 0 0 13 15 2 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 M END $$$$