B3TS1F -OEChem-04022110372D 55 58 0 1 0 0 0 0 0999 V2000 4.6783 0.4943 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4883 -0.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3709 -0.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 3.0543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 3.0311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.2990 0.0000 C 0 0 0 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 7.7619 2.1651 0.0000 C 0 0 3 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 3.7320 1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.1038 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 8.2619 3.0311 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 2.8660 2.2990 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 2.0000 1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 -3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 0.6885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8445 1.0870 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 7.4519 2.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6793 1.0870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3695 0.6885 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 2.8660 2.9190 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 1.4631 2.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 2.4942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6419 -0.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0719 0.9699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 -1.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8819 -0.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3819 3.8971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1419 -3.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5719 -1.6281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9519 -4.4340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3819 -3.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5719 -4.4340 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 13 1 0 0 0 0 2 16 1 0 0 0 0 2 22 1 0 0 0 0 5 15 2 0 0 0 0 6 17 2 0 0 0 0 7 9 1 0 0 0 0 7 50 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 9 17 1 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 18 20 1 0 0 0 0 18 41 1 0 0 0 0 19 21 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 26 1 0 0 0 0 23 46 1 0 0 0 0 24 27 2 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 51 1 0 0 0 0 30 32 2 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 33 55 1 0 0 0 0 M END $$$$