B3WT5Q -OEChem-04012117232D 40 42 0 0 0 0 0 0 0999 V2000 2.0000 1.2062 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 -1.5490 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8055 -1.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9044 -1.8597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2086 2.4996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8299 4.4006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.5985 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1871 2.7058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 1.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 1.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1656 -2.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4978 -3.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 -2.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8084 -4.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4548 -3.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7870 -4.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4978 3.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4019 1.6694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 2.4494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -0.4138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7479 0.2062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 0.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.6038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8911 -3.1160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5582 -2.2443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3944 -4.6558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0615 -3.7842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9796 -4.9899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1044 3.7842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7946 2.9610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 7 1 0 0 0 0 2 17 1 0 0 0 0 5 8 1 0 0 0 0 5 40 1 0 0 0 0 6 25 2 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 13 1 0 0 0 0 8 25 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 18 2 0 0 0 0 15 31 1 0 0 0 0 16 19 2 0 0 0 0 16 32 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 20 22 1 0 0 0 0 20 34 1 0 0 0 0 21 23 2 0 0 0 0 21 35 1 0 0 0 0 22 24 2 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 M END $$$$