D0DT4R -OEChem-10101305032D 55 56 0 1 0 0 0 0 0999 V2000 9.4651 1.8450 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.6550 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.1972 -2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -5.1550 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.8671 -3.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.8450 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4030 3.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -1.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0757 -1.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6772 -0.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3871 -2.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9885 -2.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9885 -0.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3871 -1.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 0.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 0.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 -4.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 -3.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 4.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 4.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0851 4.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 5.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8451 4.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 16 1 0 0 0 0 2 19 1 0 0 0 0 3 18 1 0 0 0 0 4 18 2 0 0 0 0 5 27 1 0 0 0 0 5 31 1 0 0 0 0 6 23 1 0 0 0 0 7 23 2 0 0 0 0 8 29 1 0 0 0 0 8 30 2 0 0 0 0 8 48 1 0 0 0 0 9 28 2 0 0 0 0 9 30 1 0 0 0 0 10 28 1 0 0 0 0 10 49 1 0 0 0 0 10 50 1 0 0 0 0 11 30 1 0 0 0 0 11 54 1 0 0 0 0 11 55 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 6 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 17 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 23 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 19 22 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 25 2 0 0 0 0 21 26 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 24 27 2 0 0 0 0 25 27 1 0 0 0 0 25 46 1 0 0 0 0 26 28 1 0 0 0 0 26 29 2 0 0 0 0 29 47 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 M CHG 3 3 -1 6 -1 8 1 M END $$$$