B1R2OA -OEChem-04022107453D 45 48 0 0 0 0 0 0 0999 V2000 -5.6511 -2.2667 -0.4389 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.5168 -1.8034 2.0247 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4331 0.3656 -0.0428 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4456 -0.5450 -0.1284 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7318 2.7638 0.1059 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4047 3.9408 0.1024 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5013 2.8078 -0.0320 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8847 -0.0996 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2330 -0.7829 -1.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1668 -0.9562 1.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6747 -1.2783 -1.4749 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6582 -1.1026 1.5255 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9424 -2.5237 -0.6366 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3529 -2.2552 0.8075 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9851 1.6518 0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3959 1.5777 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6657 0.1994 -0.1226 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0956 2.7790 0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9555 -0.4386 -0.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9468 3.8621 0.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6202 -0.8166 0.9637 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5394 -0.6778 -1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8687 -1.4336 0.8863 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7878 -1.2948 -1.5244 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4525 -1.6728 -0.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4597 0.8325 0.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0513 -0.0638 -2.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5465 -1.6185 -1.5432 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6816 -1.9370 1.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7074 -0.4556 2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3871 -0.4788 -1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8390 -1.5434 -2.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7887 -1.2592 2.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1769 -0.1628 1.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7491 -3.0995 -1.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0636 -3.1804 -0.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1952 -3.1784 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4343 -2.0697 0.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4684 4.8104 0.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1675 -0.6309 1.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0344 -0.3888 -2.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0428 1.9588 -0.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9705 3.7028 0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2426 -1.4814 -2.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9695 -1.5628 2.7919 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 23 1 0 0 0 0 2 45 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 15 1 0 0 0 0 4 17 2 0 0 0 0 5 15 2 0 0 0 0 5 20 1 0 0 0 0 6 18 1 0 0 0 0 6 20 2 0 0 0 0 7 18 1 0 0 0 0 7 42 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 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 39 1 0 0 0 0 21 23 1 0 0 0 0 21 40 1 0 0 0 0 22 24 2 0 0 0 0 22 41 1 0 0 0 0 23 25 2 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 M END $$$$