BR3NQ1 -OEChem-04012118372D 52 55 0 1 0 0 0 0 0999 V2000 2.3176 5.9148 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 -1.3978 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 2.9376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 -2.8864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -5.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 -4.7874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.3776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -1.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -0.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -1.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 -1.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 3.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 -3.6307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3426 3.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 4.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 -3.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6747 4.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 5.3767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 -4.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9854 5.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -0.6602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -1.1926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.5624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8819 1.1824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.8024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8640 -2.1911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4427 0.5545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.9924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.3724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0279 0.2204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5061 -3.7585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 2.8864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2384 4.7603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0488 -2.8178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3142 -3.2966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7931 -4.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0681 4.0921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1565 5.9661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7349 -5.9148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 23 1 0 0 0 0 3 13 1 0 0 0 0 3 24 1 0 0 0 0 4 20 1 0 0 0 0 25 4 1 6 0 0 0 5 31 1 0 0 0 0 5 52 1 0 0 0 0 6 31 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 11 1 0 0 0 0 8 21 2 0 0 0 0 9 13 2 0 0 0 0 9 15 1 0 0 0 0 10 14 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 19 2 0 0 0 0 16 38 1 0 0 0 0 17 20 1 0 0 0 0 17 39 1 0 0 0 0 18 22 2 0 0 0 0 18 40 1 0 0 0 0 19 21 1 0 0 0 0 19 41 1 0 0 0 0 20 23 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 25 31 1 0 0 0 0 25 44 1 0 0 0 0 26 29 1 0 0 0 0 26 45 1 0 0 0 0 27 30 2 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 32 2 0 0 0 0 29 50 1 0 0 0 0 30 32 1 0 0 0 0 30 51 1 0 0 0 0 M END $$$$