BR1TS3 -OEChem-04022102452D 40 43 0 0 0 0 0 0 0999 V2000 2.0000 3.1550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.1550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1798 -1.6540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 -0.0403 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 -1.6497 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.8450 0.0000 N 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 5.4641 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6550 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 2.8660 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5920 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1798 -0.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1308 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1308 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 1.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 1.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9882 0.5537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6324 0.0194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6324 -1.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 19 1 0 0 0 0 3 18 2 0 0 0 0 4 23 1 0 0 0 0 4 26 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 17 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 18 1 0 0 0 0 7 17 2 0 0 0 0 7 20 1 0 0 0 0 8 17 1 0 0 0 0 8 21 2 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 20 2 0 0 0 0 10 22 1 0 0 0 0 11 22 2 0 0 0 0 12 21 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 18 19 1 0 0 0 0 19 35 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 25 26 2 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 M END $$$$