BF78TK -OEChem-04012113432D 46 48 0 1 0 0 0 0 0999 V2000 5.5443 0.3603 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 2.9203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 0.2990 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1279 1.1651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 -0.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 1.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 1.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6279 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 -2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6279 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6279 -3.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1279 -2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6279 -3.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7105 1.3771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0202 1.7756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2105 0.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5202 0.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5453 -0.7790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2356 -1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5910 -0.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8179 -1.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6648 -0.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4379 -0.0301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.9751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 3.1651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.7851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 3.1651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.1449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.3719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5079 -2.2990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9379 -0.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3179 -3.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7479 -2.2990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9379 -3.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 12 1 0 0 0 0 2 11 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 14 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 5 10 1 0 0 0 0 5 18 1 0 0 0 0 5 34 1 0 0 0 0 6 12 1 0 0 0 0 6 16 2 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 19 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 22 1 0 0 0 0 20 42 1 0 0 0 0 21 23 2 0 0 0 0 21 43 1 0 0 0 0 22 24 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 M END $$$$