BET51Z -OEChem-04022103202D 41 43 0 1 0 0 0 0 0999 V2000 3.0000 -1.0173 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.9827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0173 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.1301 0.4619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2125 -1.0519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 1.4827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0000 1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2241 2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2241 -0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1301 1.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 2.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3985 2.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6015 2.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0781 -0.0999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4766 0.5903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 2.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5234 1.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5234 0.5903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 -0.0999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 -2.0173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -2.0173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 2.6027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 0.1727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -0.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2169 2.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6659 1.8156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7458 -1.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6720 -1.3557 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 5 1 0 0 0 0 1 13 1 0 0 0 0 8 2 1 6 0 0 0 2 14 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 6 21 2 0 0 0 0 6 22 1 0 0 0 0 7 21 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 16 19 2 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 37 1 0 0 0 0 20 22 2 0 0 0 0 20 38 1 0 0 0 0 22 39 1 0 0 0 0 M END $$$$