BK1CB2 -OEChem-04022104493D 46 49 0 0 0 0 0 0 0999 V2000 0.5101 2.4463 1.9597 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8509 -0.7287 2.7003 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8380 -1.2262 1.9792 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4417 -3.4347 -0.7066 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.8537 -2.8665 1.3734 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8177 1.2062 -0.2418 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8920 2.0119 -0.4404 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1381 0.8873 -1.3553 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2305 1.5343 -1.5072 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8554 1.1413 -1.1208 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9431 1.4845 -1.1830 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0705 -1.0951 1.7901 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.3343 -2.6356 0.2549 N 0 3 0 0 0 0 0 0 0 0 0 0 5.2476 1.0412 -0.1808 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6991 -0.3698 -0.4657 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3960 2.1941 -0.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1641 0.9306 -0.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6010 -1.3715 0.4999 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9916 1.6718 0.7343 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7487 1.6223 0.1547 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8152 1.9383 0.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0492 2.2807 0.5937 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2230 -0.6635 -1.7247 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4378 2.0240 0.7822 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2972 0.0277 -1.3432 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7502 0.6519 0.9462 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0267 -2.6671 0.2065 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6487 -1.9589 -2.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0164 -1.1539 -1.1633 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4693 -0.5296 1.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6024 -1.4326 0.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5506 -2.9607 -1.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6029 1.3753 0.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6746 1.7425 -0.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6188 2.9384 0.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6063 2.6544 -1.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3435 1.9825 1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3876 2.6718 1.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3044 0.1052 -2.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8490 0.2342 -2.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6526 1.3461 1.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9565 -3.4585 0.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0562 -2.1879 -2.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0999 -1.8335 -2.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9117 -0.7137 2.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8820 -3.9694 -1.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 2 0 0 0 0 2 12 1 0 0 0 0 3 12 2 0 0 0 0 4 13 1 0 0 0 0 5 13 2 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 6 19 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 7 22 1 0 0 0 0 8 10 2 0 0 0 0 9 11 2 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 12 18 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 18 1 0 0 0 0 15 23 2 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 25 2 0 0 0 0 17 26 1 0 0 0 0 18 27 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 24 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 38 1 0 0 0 0 23 28 1 0 0 0 0 23 39 1 0 0 0 0 25 29 1 0 0 0 0 25 40 1 0 0 0 0 26 30 2 0 0 0 0 26 41 1 0 0 0 0 27 32 1 0 0 0 0 27 42 1 0 0 0 0 28 32 2 0 0 0 0 28 43 1 0 0 0 0 29 31 2 0 0 0 0 29 44 1 0 0 0 0 30 31 1 0 0 0 0 30 45 1 0 0 0 0 32 46 1 0 0 0 0 M CHG 4 2 -1 4 -1 12 1 13 1 M END $$$$