B7I5MS -OEChem-04022108312D 43 45 0 0 0 0 0 0 0999 V2000 2.0000 2.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 21 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 14 1 0 0 0 0 11 32 1 0 0 0 0 12 15 2 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 16 19 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 20 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 M END $$$$