B4ALR2 -OEChem-04022102132D 53 55 0 1 0 0 0 0 0999 V2000 5.6519 2.1961 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 4.3667 3.3573 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 3.0815 4.5185 0.0000 P 0 3 0 0 0 0 0 0 0 0 0 0 6.6552 -0.7247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1932 -1.2291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0049 0.3590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3445 3.1477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7003 1.8887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6034 2.5034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3889 3.5669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5763 4.3350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1571 2.3795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7742 5.4700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 4.2111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0331 4.8258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9309 -2.4853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9309 -4.0947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1187 -2.2900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2526 -3.7900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1187 -5.2900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1932 -1.2274 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1949 -0.2274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2444 0.0833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2416 -1.5348 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9370 1.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5006 -2.1790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9592 1.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 -2.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5145 -3.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 -3.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1187 -4.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2526 -2.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7468 -0.5098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6322 0.1813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6290 -1.6307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5511 1.1201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9597 1.6545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9106 -2.3695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6911 -2.7689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0905 -1.9884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3451 1.1592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9365 0.6249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5022 -1.7666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9412 0.9757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1345 -3.2900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5703 1.2825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7157 -2.4800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5817 -5.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6556 -5.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1663 4.5256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 5.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.6049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1631 5.4320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 1 27 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 2 12 2 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 21 5 1 1 0 0 0 5 43 1 0 0 0 0 22 6 1 1 0 0 0 6 44 1 0 0 0 0 8 46 1 0 0 0 0 11 50 1 0 0 0 0 13 51 1 0 0 0 0 14 52 1 0 0 0 0 15 53 1 0 0 0 0 24 16 1 6 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 29 2 0 0 0 0 17 30 1 0 0 0 0 18 28 2 0 0 0 0 18 32 1 0 0 0 0 19 31 1 0 0 0 0 19 32 2 0 0 0 0 20 31 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 33 1 0 0 0 0 23 25 1 6 0 0 0 23 34 1 0 0 0 0 24 35 1 0 0 0 0 25 27 1 0 0 0 0 25 36 1 0 0 0 0 25 37 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 28 30 1 0 0 0 0 29 45 1 0 0 0 0 30 31 2 0 0 0 0 32 47 1 0 0 0 0 M CHG 1 3 1 M END $$$$