BO9BR1 -OEChem-04022106212D 39 41 0 0 0 0 0 0 0999 V2000 4.5981 -1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -0.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 -0.0347 0.0000 N 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 6.3301 0.5000 0.0000 C 0 0 0 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 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 2.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -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 8.1301 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.4792 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 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5000 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 2.8660 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 2.6546 0.0000 H 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 4.2690 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 1.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 0.1671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 2.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 3.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 4.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 2.9631 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 2 11 1 0 0 0 0 2 19 1 0 0 0 0 5 7 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 18 2 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 12 2 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 12 26 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 27 1 0 0 0 0 15 20 1 0 0 0 0 15 28 1 0 0 0 0 16 21 2 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 19 23 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 22 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 M END $$$$