B80DFQ -OEChem-04012114562D 56 60 0 1 0 0 0 0 0999 V2000 6.3981 -2.2073 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6497 2.8273 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.7927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -0.2314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6564 -1.2381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.7073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 -0.2314 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -2.2073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 1.2652 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.2073 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5320 -0.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 0.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -1.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 1.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1580 -0.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 -0.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1580 1.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0641 0.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 1.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0641 1.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7961 0.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6602 -0.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5282 0.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6679 1.7619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5320 1.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5205 -1.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5166 -2.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 -0.1247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9215 -0.8150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9215 -1.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 -2.2899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1509 -0.8619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -0.8619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1509 2.4473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 1.6256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1963 1.6256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9258 -0.8514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -2.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 -1.8973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 0.8033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 0.5731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -0.2729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0639 -0.0535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6703 2.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0702 1.5665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1306 -1.8515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7348 -1.1597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8966 -2.7391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5142 -3.3614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1366 -2.7438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 19 1 0 0 0 0 2 22 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 23 1 0 0 0 0 4 27 1 0 0 0 0 5 28 1 0 0 0 0 5 32 1 0 0 0 0 6 10 1 0 0 0 0 6 19 2 0 0 0 0 7 21 1 0 0 0 0 7 26 1 0 0 0 0 7 43 1 0 0 0 0 8 19 1 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 9 26 1 0 0 0 0 9 30 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 15 2 0 0 0 0 12 17 1 0 0 0 0 13 16 2 0 0 0 0 13 18 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 20 1 0 0 0 0 16 22 1 0 0 0 0 17 21 2 0 0 0 0 17 38 1 0 0 0 0 18 23 2 0 0 0 0 18 39 1 0 0 0 0 20 24 2 0 0 0 0 20 40 1 0 0 0 0 21 24 1 0 0 0 0 22 25 2 0 0 0 0 23 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 26 28 2 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 29 31 2 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 32 33 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 M END $$$$