BBK08D -OEChem-04022107282D 42 44 0 0 0 0 0 0 0999 V2000 4.5411 -1.2606 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4538 3.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0519 6.0384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9179 4.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8198 0.4995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 -1.2606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1288 1.4506 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8484 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1859 3.5384 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -0.3095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8198 0.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -0.3095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5108 1.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3198 2.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6443 0.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3198 3.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1859 4.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.3484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0519 5.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9212 1.6422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1843 -0.0021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1459 0.8639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2798 1.0011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1427 0.1351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.1584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7228 3.2284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9738 5.1210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5753 4.4307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.5384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.5384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -6.1584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.1584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.9684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5888 6.3484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 16 1 0 0 0 0 2 18 2 0 0 0 0 3 19 2 0 0 0 0 4 27 1 0 0 0 0 4 42 1 0 0 0 0 5 27 2 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 29 1 0 0 0 0 7 13 1 0 0 0 0 7 16 2 0 0 0 0 8 15 2 0 0 0 0 9 16 1 0 0 0 0 9 19 1 0 0 0 0 9 33 1 0 0 0 0 10 18 1 0 0 0 0 10 21 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 18 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 19 20 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 27 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 23 25 2 0 0 0 0 23 38 1 0 0 0 0 24 26 2 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 M END $$$$