BRS4V0 -OEChem-04012116242D 42 44 0 0 0 0 0 0 0999 V2000 11.5263 2.6550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -2.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -3.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 5.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -4.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 14 2 0 0 0 0 4 20 2 0 0 0 0 5 22 2 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 17 1 0 0 0 0 7 11 2 0 0 0 0 8 13 1 0 0 0 0 8 20 1 0 0 0 0 8 36 1 0 0 0 0 9 22 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 12 14 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 15 18 1 0 0 0 0 15 32 1 0 0 0 0 16 19 2 0 0 0 0 16 33 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 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 23 25 1 0 0 0 0 23 37 1 0 0 0 0 24 26 2 0 0 0 0 24 38 1 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 26 39 1 0 0 0 0 27 40 1 0 0 0 0 M END $$$$