DR2074 -OEChem-08132116422D 48 48 0 1 0 0 0 0 0999 V2000 6.0010 2.2500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.4651 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4651 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4651 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.5991 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.2500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.4651 -0.7500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1350 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.7500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.7331 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3871 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9885 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0791 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -0.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -0.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0851 4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8451 4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 29 1 0 0 0 0 3 21 1 0 0 0 0 4 26 2 0 0 0 0 5 13 1 0 0 0 0 6 13 2 0 0 0 0 9 15 1 0 0 0 0 10 15 2 0 0 0 0 11 28 1 0 0 0 0 11 48 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 20 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 14 40 1 0 0 0 0 15 25 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 23 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 22 1 0 0 0 0 19 26 1 0 0 0 0 20 24 2 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 22 25 2 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 27 28 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 M CHG 4 5 -1 9 -1 13 1 15 1 M END $$$$