DR1600 -OEChem-05042004192D 49 52 0 1 0 0 0 0 0999 V2000 4.8220 0.0000 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 1.9682 5.8486 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4175 4.8948 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.2063 4.0816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8336 4.0760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3853 5.7490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4194 3.5584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3262 6.4487 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.8484 4.5001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5895 5.4661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2211 3.9081 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5631 4.8478 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5767 3.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1579 5.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7995 4.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2216 7.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2397 6.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1265 4.7831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1606 4.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9017 5.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1946 4.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5311 6.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8363 3.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9864 7.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8376 3.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0205 6.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5788 4.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0684 3.6791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3695 6.2871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0090 3.3255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7751 5.4304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9612 3.2192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1357 3.2697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5501 5.3907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1769 5.8881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6706 3.7284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6050 7.3784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1568 8.0598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8382 7.5080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9875 7.4218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8061 7.1076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4919 6.2890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9810 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1502 6.2349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1740 2.8119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2086 7.6849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4475 2.9024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5387 7.2374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.5723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 20 1 0 0 0 0 2 26 1 0 0 0 0 3 21 1 0 0 0 0 3 27 1 0 0 0 0 11 4 1 1 0 0 0 12 4 1 1 0 0 0 5 15 1 0 0 0 0 5 18 1 0 0 0 0 6 18 2 0 0 0 0 7 19 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 28 1 1 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 29 1 6 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 22 44 1 0 0 0 0 23 25 1 0 0 0 0 23 45 1 0 0 0 0 24 26 2 0 0 0 0 24 46 1 0 0 0 0 25 27 2 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 M CHG 2 1 -1 8 1 M END $$$$