BRAE17 -OEChem-04022100272D 48 50 0 1 0 0 0 0 0999 V2000 3.4030 -1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5453 -1.0053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5453 -2.6147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1289 -1.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 0.1900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 0.1900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1289 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7379 -0.4159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4389 -2.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4389 -1.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 1 0 0 0 1 35 1 0 0 0 0 12 2 1 6 0 0 0 2 23 2 0 0 0 0 15 3 1 6 0 0 0 3 24 2 0 0 0 0 4 20 1 0 0 0 0 4 25 1 0 0 0 0 4 38 1 0 0 0 0 5 22 1 0 0 0 0 5 25 2 0 0 0 0 6 23 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 23 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 24 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 24 1 0 0 0 0 9 45 1 0 0 0 0 9 46 1 0 0 0 0 10 25 1 0 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 1 0 0 0 11 26 1 0 0 0 0 12 16 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 34 1 0 0 0 0 19 21 2 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 M END $$$$