BB1G0W -OEChem-04022105162D 43 44 0 1 0 0 0 0 0999 V2000 6.3301 5.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -5.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -6.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 5.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 6.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 23 1 0 0 0 0 2 8 1 0 0 0 0 2 19 1 0 0 0 0 3 7 1 0 0 0 0 3 37 1 0 0 0 0 4 13 1 0 0 0 0 4 22 1 0 0 0 0 5 7 1 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 11 2 0 0 0 0 6 12 1 0 0 0 0 7 20 1 0 0 0 0 7 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 15 1 0 0 0 0 9 27 1 0 0 0 0 10 16 2 0 0 0 0 10 28 1 0 0 0 0 11 17 1 0 0 0 0 11 29 1 0 0 0 0 12 18 2 0 0 0 0 12 30 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 21 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 3 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 M END $$$$