BR1OX4 -OEChem-04042104103D 29 31 0 0 0 0 0 0 0999 V2000 -7.4212 -0.2709 -0.0010 I 0 0 0 0 0 0 0 0 0 0 0 0 2.2465 1.9122 -0.0001 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1528 -1.7585 0.0008 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 2.1399 0.0014 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0851 0.6142 0.0014 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1397 -0.1486 0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1638 -0.5415 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5963 0.7792 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6959 -0.6635 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0604 -1.6011 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9505 1.0763 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3002 0.9691 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5551 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4249 -1.3087 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8675 0.0220 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2289 -1.3975 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2761 1.0181 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6235 -1.4248 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6706 0.9908 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3443 -0.2306 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7232 -2.6321 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3033 2.1028 -0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6975 -1.0628 0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1510 -2.1171 -0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9333 0.2340 -0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6789 -2.3352 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8315 2.0026 -0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1286 -2.3874 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2143 1.9323 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 3 9 2 0 0 0 0 4 12 2 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 11 2 0 0 0 0 10 14 1 0 0 0 0 10 21 1 0 0 0 0 11 15 1 0 0 0 0 11 22 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 16 18 1 0 0 0 0 16 26 1 0 0 0 0 17 19 2 0 0 0 0 17 27 1 0 0 0 0 18 20 2 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 M END $$$$