B1UM7F -OEChem-04022106332D 42 43 0 0 0 0 0 0 0999 V2000 4.5981 3.8450 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -3.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -3.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -3.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -3.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -4.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -5.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -5.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -4.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -5.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -5.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -2.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -2.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -1.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 18 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 19 1 0 0 0 0 16 37 1 0 0 0 0 17 20 2 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 M END $$$$