B5D3BQ -OEChem-04022107122D 56 59 0 1 0 0 0 0 0999 V2000 6.7619 0.4330 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -3.8971 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -0.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 2.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 -0.4330 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6783 2.1038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.4943 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 2.1651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.2990 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7619 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7619 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7619 -3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8819 1.2990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 2.7756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 2.3771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 2.6931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -1.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8819 -0.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 0.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 3.5680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 0.7621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.9190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 3.5680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 0.7621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8819 -2.1651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4519 -0.7621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0719 -3.5680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6419 -2.1651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0719 1.6281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3819 3.8971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 33 1 0 0 0 0 5 34 2 0 0 0 0 6 35 1 0 0 0 0 6 56 1 0 0 0 0 7 35 2 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 14 1 0 0 0 0 9 16 1 0 0 0 0 9 39 1 0 0 0 0 10 14 2 0 0 0 0 10 17 1 0 0 0 0 11 28 1 0 0 0 0 11 34 1 0 0 0 0 11 55 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 22 2 0 0 0 0 17 23 2 0 0 0 0 18 26 2 0 0 0 0 18 27 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 24 1 0 0 0 0 20 43 1 0 0 0 0 21 25 2 0 0 0 0 21 44 1 0 0 0 0 22 29 1 0 0 0 0 22 45 1 0 0 0 0 23 30 1 0 0 0 0 23 46 1 0 0 0 0 24 28 2 0 0 0 0 24 47 1 0 0 0 0 25 28 1 0 0 0 0 25 48 1 0 0 0 0 26 31 1 0 0 0 0 26 49 1 0 0 0 0 27 32 2 0 0 0 0 27 50 1 0 0 0 0 29 30 2 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 31 33 2 0 0 0 0 31 53 1 0 0 0 0 32 33 1 0 0 0 0 32 54 1 0 0 0 0 34 35 1 0 0 0 0 M END $$$$