D0M4LQ -OEChem-10101305022D 40 41 0 1 0 0 0 0 0999 V2000 3.7320 0.1550 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1550 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 1.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 2.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 3.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 3.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 2.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -4.1550 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 10 1 0 0 0 0 4 21 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 11 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 16 1 0 0 0 0 12 31 1 0 0 0 0 13 17 2 0 0 0 0 13 32 1 0 0 0 0 14 18 1 0 0 0 0 14 33 1 0 0 0 0 15 19 2 0 0 0 0 15 34 1 0 0 0 0 16 20 2 0 0 0 0 16 35 1 0 0 0 0 17 20 1 0 0 0 0 17 36 1 0 0 0 0 18 21 2 0 0 0 0 18 37 1 0 0 0 0 19 21 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 M END $$$$