B1A9NI -OEChem-04022101162D 48 50 0 0 0 0 0 0 0999 V2000 7.1962 2.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 3.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 5.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -5.0369 0.0000 H 0 0 0 0 0 0 0 0 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 1 13 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 10 1 0 0 0 0 2 14 1 0 0 0 0 3 19 1 0 0 0 0 4 20 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 11 15 2 0 0 0 0 11 17 1 0 0 0 0 12 16 2 0 0 0 0 12 18 1 0 0 0 0 13 19 2 0 0 0 0 13 21 1 0 0 0 0 14 20 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 21 27 2 0 0 0 0 21 37 1 0 0 0 0 22 28 2 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 23 27 1 0 0 0 0 23 29 1 0 0 0 0 24 26 2 0 0 0 0 24 28 1 0 0 0 0 24 30 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 29 43 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 M END $$$$