B6POU1 -OEChem-04012114482D 54 57 0 1 0 0 0 0 0999 V2000 11.0354 5.3339 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 9.3141 4.8727 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2318 4.7111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.7139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.7139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4128 2.9886 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7861 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2437 1.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4347 2.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 2.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8195 3.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8141 4.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4832 3.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3967 3.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2922 4.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.2139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.2139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.2139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8102 2.1238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9337 0.8425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7453 1.0150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3698 3.3972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8147 2.7806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3277 1.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4144 2.4870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.0961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.5239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3543 2.6570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.3339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9337 3.3602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -3.0239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.4039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.0239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.8231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.2508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.3339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 16 1 0 0 0 0 2 26 1 0 0 0 0 3 10 1 0 0 0 0 3 15 1 0 0 0 0 4 14 2 0 0 0 0 5 24 2 0 0 0 0 6 33 1 0 0 0 0 6 54 1 0 0 0 0 7 33 2 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 24 1 0 0 0 0 9 32 1 0 0 0 0 9 48 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 21 2 0 0 0 0 17 20 1 0 0 0 0 17 24 1 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 20 22 2 0 0 0 0 20 42 1 0 0 0 0 21 25 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 27 29 1 0 0 0 0 27 46 1 0 0 0 0 28 30 2 0 0 0 0 28 47 1 0 0 0 0 29 31 2 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 31 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 M END $$$$