D00414 -OEChem-05072121512D 48 50 0 1 0 0 0 0 0999 V2000 4.7264 0.0000 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 10.0248 4.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6520 4.2352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2038 5.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7543 3.4588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1446 6.6079 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.6668 4.6594 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4080 5.6253 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0395 4.0674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3815 5.0070 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3951 3.8647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9763 5.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6180 4.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0401 7.6024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0581 7.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9449 4.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9790 4.6835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7202 3.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2719 5.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3060 5.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5307 6.3566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5989 5.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8236 7.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8577 6.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8868 3.8383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1880 6.4463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8274 3.4848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5936 5.5897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7797 3.3784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 3.4289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3685 5.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9954 6.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4891 3.8876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4235 7.5376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9753 8.2190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6567 7.6672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8060 7.5810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6245 7.2668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3103 6.4482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4174 4.2451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3378 3.6636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7742 3.1000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1455 4.5329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1296 6.5170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5938 2.8599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.6784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9841 7.6625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4193 7.2432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 2 1 1 0 0 0 10 2 1 1 0 0 0 3 13 1 0 0 0 0 3 16 1 0 0 0 0 4 16 2 0 0 0 0 5 18 1 0 0 0 0 5 45 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 25 1 1 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 26 1 6 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 6 0 0 0 17 19 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 43 1 0 0 0 0 21 23 2 0 0 0 0 21 44 1 0 0 0 0 22 24 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 M CHG 2 1 -1 6 1 M END $$$$