BB4Y9I -OEChem-04022101392D 55 58 0 1 0 0 0 0 0999 V2000 10.5309 -3.2309 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.6236 4.5574 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2114 4.6338 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1349 3.2217 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3969 -2.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6648 -3.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 1.0380 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 -0.5715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5309 0.2332 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0309 -4.0969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2579 1.9885 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0010 0.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2364 2.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5309 0.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5901 2.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5471 3.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9043 1.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5256 3.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 3.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0309 -0.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8828 1.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1934 2.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0309 -0.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5309 -1.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0309 -2.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5309 -1.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0309 -2.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6512 1.8606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0515 3.1468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1760 3.1943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1286 2.3187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.8532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7117 0.8611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8409 0.7702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.3868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7182 3.9408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2968 1.1952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8001 2.7350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3409 -0.0959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9109 -1.4988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1509 -1.4988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7209 -2.9018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.3532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6509 -4.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7209 -4.6338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 12 1 0 0 0 0 1 33 1 0 0 0 0 2 26 1 0 0 0 0 3 26 1 0 0 0 0 4 26 1 0 0 0 0 5 32 2 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 16 1 0 0 0 0 9 16 2 0 0 0 0 9 18 1 0 0 0 0 10 16 1 0 0 0 0 10 27 1 0 0 0 0 10 42 1 0 0 0 0 11 32 1 0 0 0 0 11 52 1 0 0 0 0 11 53 1 0 0 0 0 12 54 1 0 0 0 0 12 55 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 36 1 0 0 0 0 14 18 2 0 0 0 0 14 20 1 0 0 0 0 15 19 1 0 0 0 0 15 21 2 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 22 1 0 0 0 0 19 25 2 0 0 0 0 19 26 1 0 0 0 0 20 24 2 0 0 0 0 20 40 1 0 0 0 0 21 28 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 32 1 0 0 0 0 24 44 1 0 0 0 0 25 29 1 0 0 0 0 25 45 1 0 0 0 0 27 30 2 0 0 0 0 27 31 1 0 0 0 0 28 29 2 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 30 34 1 0 0 0 0 30 48 1 0 0 0 0 31 35 2 0 0 0 0 31 49 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 34 50 1 0 0 0 0 35 51 1 0 0 0 0 M END $$$$