B42BYA -OEChem-04012113482D 49 52 0 1 0 0 0 0 0999 V2000 10.3779 4.5087 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.8551 3.9328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -1.2123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.4212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.6742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.4825 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 2.1533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5983 4.6020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.2872 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6783 2.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 2.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 3.0193 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9889 -0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2564 3.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4643 4.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -2.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 -2.9071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9854 -2.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2746 -3.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3176 -3.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6067 -4.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6282 -4.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5436 0.7349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2156 2.4012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 2.6589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.9072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 1.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3445 1.9412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 2.6902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6427 3.0517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2564 2.5038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8730 3.0590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.0972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0143 -2.6507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1787 -1.8708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7928 -2.1116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8812 -3.9855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7109 -3.3174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7993 -5.1913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2142 -4.8572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 8 1 0 0 0 0 2 17 1 0 0 0 0 3 18 1 0 0 0 0 3 23 1 0 0 0 0 4 13 2 0 0 0 0 5 18 2 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 18 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 7 36 1 0 0 0 0 8 22 2 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 16 2 0 0 0 0 14 19 1 0 0 0 0 14 33 1 0 0 0 0 15 17 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 21 1 0 0 0 0 16 37 1 0 0 0 0 17 20 1 0 0 0 0 17 38 1 0 0 0 0 19 21 2 0 0 0 0 19 41 1 0 0 0 0 20 22 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 45 1 0 0 0 0 26 28 2 0 0 0 0 26 46 1 0 0 0 0 27 29 2 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 M END $$$$