B5X8YL -OEChem-04042103583D 46 49 0 1 0 0 0 0 0999 V2000 -7.8669 0.2811 -0.5007 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.8693 -0.1922 -1.3108 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5505 -2.2505 1.8820 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -3.1983 0.1740 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7395 -2.3208 -0.9923 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0741 -0.0770 1.2276 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8621 -2.2358 -0.4407 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8318 -1.0336 0.0028 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2893 -0.8165 1.4144 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6756 1.1676 0.6327 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1934 -1.1287 1.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4754 -0.2205 1.6198 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2477 1.2411 -0.4332 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3101 -0.7121 -0.1202 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4069 -0.0216 0.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2467 2.3642 1.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5979 2.4936 -0.9669 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0965 -1.3909 -1.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8821 0.2627 0.6973 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5728 -1.0061 -0.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8812 3.6015 0.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0465 3.6669 -0.4571 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1144 1.1770 0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4548 -1.0949 -1.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2403 0.5588 0.5839 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4462 -0.7921 -1.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0267 -0.1199 -0.3471 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9880 1.3909 -0.6992 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1540 0.4064 -1.6733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7157 -2.1044 -0.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8108 -1.4830 2.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4440 0.1905 1.8133 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6573 -1.2080 2.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6921 0.4690 2.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9279 2.3780 1.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2946 2.5699 -1.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6642 -2.1531 -1.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3132 0.8384 1.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3146 4.5134 0.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0320 1.9459 1.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3297 4.6280 -0.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0536 -1.6330 -1.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6699 1.3252 1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5861 -1.5504 -2.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5450 2.3208 -0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8355 0.5723 -2.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 3 11 2 0 0 0 0 4 7 1 0 0 0 0 5 7 2 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 13 1 0 0 0 0 10 16 2 0 0 0 0 12 15 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 17 2 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 15 23 2 0 0 0 0 16 21 1 0 0 0 0 16 35 1 0 0 0 0 17 22 1 0 0 0 0 17 36 1 0 0 0 0 18 24 1 0 0 0 0 18 37 1 0 0 0 0 19 25 2 0 0 0 0 19 38 1 0 0 0 0 20 26 2 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 41 1 0 0 0 0 23 28 1 0 0 0 0 23 40 1 0 0 0 0 24 27 2 0 0 0 0 24 42 1 0 0 0 0 25 27 1 0 0 0 0 25 43 1 0 0 0 0 26 29 1 0 0 0 0 26 44 1 0 0 0 0 28 29 2 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 M CHG 2 4 -1 7 1 M END $$$$