BRN3I4 -OEChem-04022103252D 44 46 0 1 0 0 0 0 0999 V2000 5.3100 0.2010 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 1.7888 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 2.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 0.2010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3100 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3100 -0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3100 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3100 1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4440 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8100 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1760 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8100 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 1.0670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1190 1.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 2.7398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4440 -2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8100 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1760 -2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8100 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 2.7398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3100 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3100 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3926 1.2790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7023 1.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9070 -0.9890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -1.2020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7130 -0.9890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 1.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 1.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7087 1.5972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1744 3.2414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9070 -2.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1200 -1.2020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7130 -2.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1200 1.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4456 3.2414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3100 -3.4190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9300 0.2010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6900 0.2010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -0.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 2 9 1 0 0 0 0 2 22 1 0 0 0 0 3 25 1 0 0 0 0 3 44 1 0 0 0 0 4 25 2 0 0 0 0 15 5 1 6 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 11 2 0 0 0 0 7 13 1 0 0 0 0 8 12 2 0 0 0 0 8 14 1 0 0 0 0 9 16 2 0 0 0 0 10 15 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 18 1 0 0 0 0 11 28 1 0 0 0 0 12 19 1 0 0 0 0 12 29 1 0 0 0 0 13 20 2 0 0 0 0 13 30 1 0 0 0 0 14 21 2 0 0 0 0 14 31 1 0 0 0 0 15 25 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 22 2 0 0 0 0 17 34 1 0 0 0 0 18 23 2 0 0 0 0 18 35 1 0 0 0 0 19 24 2 0 0 0 0 19 36 1 0 0 0 0 20 23 1 0 0 0 0 20 37 1 0 0 0 0 21 24 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 M END $$$$