BT3O1A -OEChem-04022102282D 59 60 0 1 0 0 0 0 0999 V2000 1.4037 5.5925 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 5.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 6.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 6.0892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9070 4.7246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9003 6.4604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6678 5.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5338 8.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2716 5.0959 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7674 11.7899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6678 6.6200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8018 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8018 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9357 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9357 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5338 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5338 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0418 5.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5338 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0418 7.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1357 5.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1357 6.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2659 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 8.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2659 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1319 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1319 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9979 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9979 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2047 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2003 7.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4032 7.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4032 4.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2003 4.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0490 4.4654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9232 4.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3218 3.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0490 7.7746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0104 3.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6119 4.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 6.9529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7892 2.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1878 2.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9969 8.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 4.4758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7098 8.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9368 8.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0898 9.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7289 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1319 3.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1319 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5348 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5348 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.7771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3044 12.0999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2305 12.0999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7674 11.1699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 9 1 0 0 0 0 2 16 2 0 0 0 0 3 17 2 0 0 0 0 4 56 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 26 1 0 0 0 0 8 46 1 0 0 0 0 9 21 1 0 0 0 0 9 47 1 0 0 0 0 10 57 1 0 0 0 0 10 58 1 0 0 0 0 10 59 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 1 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 18 21 2 0 0 0 0 18 37 1 0 0 0 0 19 22 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 23 2 0 0 0 0 20 40 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 29 1 0 0 0 0 27 51 1 0 0 0 0 28 30 2 0 0 0 0 28 52 1 0 0 0 0 29 31 2 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 M END $$$$