B8A6BQ -OEChem-04022100452D 27 28 0 0 0 0 0 0 0999 V2000 2.8660 -1.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 1.8176 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 2.7686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 2.7686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3092 1.1995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 1.8176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 1.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.0398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.0398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.5802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7336 3.2702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.7333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.9602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.8072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -3.8072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.5802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -2.7333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 10 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 12 2 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 5 14 2 0 0 0 0 6 17 3 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 10 2 0 0 0 0 10 13 1 0 0 0 0 11 13 2 0 0 0 0 11 19 1 0 0 0 0 12 14 1 0 0 0 0 13 20 1 0 0 0 0 14 17 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 M END $$$$