D72HXF -OEChem-06062108562D 86 91 0 1 0 0 0 0 0999 V2000 11.4467 -3.3350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8160 -0.2981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7121 1.3947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7547 2.3470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6734 -1.0386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 1.9236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6281 -1.4620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1893 0.0191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9721 0.0191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2053 -2.2026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0561 2.8759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5807 -1.8350 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5807 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7147 -0.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4467 -0.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7717 0.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3897 0.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7147 -1.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4467 -1.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0807 1.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0807 1.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7563 0.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4051 0.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 2.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7657 2.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5807 -2.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0534 1.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1081 1.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3752 2.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7862 2.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7147 -3.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4493 1.3947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3454 -0.2981 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4720 1.1831 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3228 -0.5097 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1213 0.6542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0401 0.6542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0760 1.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0854 1.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 0.2308 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9948 0.2308 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8386 -0.5097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6894 1.1831 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0987 0.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0627 0.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5333 -1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3614 1.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5026 0.2476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1041 -0.4427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0573 -0.4427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6588 0.2476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1041 -1.2273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5026 -1.9176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6588 -1.9176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0573 -1.2273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5715 -0.0713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5899 -0.0713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5941 3.0760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5673 3.0760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9622 2.7422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1993 2.7422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4047 -2.7981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1778 -3.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0247 -3.8719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0553 1.5260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7395 -0.1668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6613 1.7734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9061 -0.9689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5380 0.1950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8508 1.2446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1841 -0.3596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2553 -0.9689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5001 1.7734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9848 -1.1730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1535 -1.9520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7412 1.4336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9100 2.2126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3381 2.8061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8628 -1.6290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1941 1.7924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2341 -1.5932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3887 0.4783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0160 -2.7929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4727 3.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 2 0 0 0 0 2 36 1 0 0 0 0 2 42 1 0 0 0 0 3 37 1 0 0 0 0 3 43 1 0 0 0 0 32 4 1 6 0 0 0 4 79 1 0 0 0 0 33 5 1 6 0 0 0 5 80 1 0 0 0 0 34 6 1 6 0 0 0 6 81 1 0 0 0 0 35 7 1 6 0 0 0 7 82 1 0 0 0 0 40 8 1 1 0 0 0 8 83 1 0 0 0 0 41 9 1 1 0 0 0 9 84 1 0 0 0 0 10 46 1 0 0 0 0 10 85 1 0 0 0 0 11 47 1 0 0 0 0 11 86 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 19 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 20 2 0 0 0 0 16 22 1 0 0 0 0 17 21 2 0 0 0 0 17 23 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 22 27 2 0 0 0 0 22 56 1 0 0 0 0 23 28 2 0 0 0 0 23 57 1 0 0 0 0 24 29 2 0 0 0 0 24 58 1 0 0 0 0 25 30 2 0 0 0 0 25 59 1 0 0 0 0 26 31 1 0 0 0 0 27 29 1 0 0 0 0 27 38 1 0 0 0 0 28 30 1 0 0 0 0 28 39 1 0 0 0 0 29 60 1 0 0 0 0 30 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 32 34 1 0 0 0 0 32 36 1 0 0 0 0 32 65 1 0 0 0 0 33 35 1 0 0 0 0 33 37 1 0 0 0 0 33 66 1 0 0 0 0 34 40 1 0 0 0 0 34 67 1 0 0 0 0 35 41 1 0 0 0 0 35 68 1 0 0 0 0 36 44 1 1 0 0 0 36 69 1 0 0 0 0 37 45 1 1 0 0 0 37 70 1 0 0 0 0 38 44 3 0 0 0 0 39 45 3 0 0 0 0 40 42 1 0 0 0 0 40 71 1 0 0 0 0 41 43 1 0 0 0 0 41 72 1 0 0 0 0 42 46 1 6 0 0 0 42 73 1 0 0 0 0 43 47 1 6 0 0 0 43 74 1 0 0 0 0 46 75 1 0 0 0 0 46 76 1 0 0 0 0 47 77 1 0 0 0 0 47 78 1 0 0 0 0 M END $$$$