B4AUX3 -OEChem-04022103143D 27 29 0 0 0 0 0 0 0999 V2000 -6.4739 -0.2234 0.0004 I 0 0 0 0 0 0 0 0 0 0 0 0 5.4788 2.1706 0.0003 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.1593 -1.6675 -0.0016 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1773 -2.0613 -0.0009 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3447 1.1228 0.0012 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9032 0.1215 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2911 -1.2161 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4526 0.1156 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0034 -1.3286 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8110 1.1579 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6223 -1.5764 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1640 0.8093 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5656 -0.5433 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7198 0.8201 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4009 0.6684 1.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4009 0.6717 -1.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7629 0.3680 1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7629 0.3713 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4440 0.2194 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2403 -3.0724 -0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4840 2.1916 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9345 -2.6144 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6224 -0.8017 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8789 0.7829 2.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8789 0.7887 -2.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2744 0.2544 2.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2745 0.2601 -2.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 12 1 0 0 0 0 3 9 2 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 20 1 0 0 0 0 5 8 2 0 0 0 0 5 14 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 10 12 2 0 0 0 0 10 21 1 0 0 0 0 11 13 2 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 13 23 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 16 18 2 0 0 0 0 16 25 1 0 0 0 0 17 19 2 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 18 27 1 0 0 0 0 M END $$$$