B2V0HF -OEChem-04012117482D 29 30 0 0 0 0 0 0 0999 V2000 4.5700 -1.5086 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.2702 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 3.2702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -2.7686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7702 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2298 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 5.4641 1.2702 0.0000 C 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 4.5981 1.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5211 -1.8176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1391 -1.8176 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 3.7320 0.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 -2.7686 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 6.9407 -0.3374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 0.3528 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 4.5981 -0.8498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7288 -1.6260 0.0000 H 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 5.4657 -3.2702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1946 -3.2702 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 1.4631 0.9602 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 13 2 0 0 0 0 2 15 1 0 0 0 0 2 18 1 0 0 0 0 3 7 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 13 1 0 0 0 0 6 17 1 0 0 0 0 6 25 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 11 16 2 0 0 0 0 11 22 1 0 0 0 0 12 15 2 0 0 0 0 14 17 2 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 16 24 1 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 M CHG 2 3 -1 7 1 M END $$$$