BRIG72 -OEChem-04012113552D 40 43 0 0 0 0 0 0 0999 V2000 4.8198 0.1542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 3.7420 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8198 2.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6321 -2.6505 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2157 -1.8458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8198 -2.8458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 -1.3458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 2.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2788 3.7420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 -2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 -1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9427 -3.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8198 -0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6321 -1.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9212 -3.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2749 -4.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 -2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2319 -4.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -5.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5641 -5.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 4.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5878 4.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8247 -0.4517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3353 -3.3458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6682 -4.2175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3432 0.7619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7418 0.0716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4169 -2.6558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8386 -4.8856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1715 -5.7573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7567 -6.0914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5508 1.8442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9522 5.1946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 5.8665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 6.0037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 5.1376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 17 1 0 0 0 0 2 23 1 0 0 0 0 2 25 1 0 0 0 0 3 22 2 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 5 14 2 0 0 0 0 6 10 1 0 0 0 0 6 18 2 0 0 0 0 7 13 2 0 0 0 0 7 18 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 8 36 1 0 0 0 0 9 23 2 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 14 27 1 0 0 0 0 15 19 1 0 0 0 0 15 28 1 0 0 0 0 16 20 2 0 0 0 0 16 29 1 0 0 0 0 17 22 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 21 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 37 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 M END $$$$