BARY47 -OEChem-04022101522D 48 51 0 0 0 0 0 0 0999 V2000 6.3301 0.9470 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.4470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 0.0810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 1.8130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0561 -1.5530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.4470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4725 -0.7482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4725 -2.3577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0561 -1.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.9220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.9220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.4721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.4721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.1730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6651 -0.1589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6651 -2.9470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 2.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.1730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -0.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -2.3630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.1370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 2 15 1 0 0 0 0 2 17 1 0 0 0 0 5 23 2 0 0 0 0 6 12 1 0 0 0 0 6 34 1 0 0 0 0 7 13 1 0 0 0 0 7 23 1 0 0 0 0 7 36 1 0 0 0 0 8 14 1 0 0 0 0 8 23 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 18 2 0 0 0 0 11 19 1 0 0 0 0 12 16 2 0 0 0 0 12 20 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 21 1 0 0 0 0 15 22 2 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 24 2 0 0 0 0 18 27 1 0 0 0 0 18 37 1 0 0 0 0 19 28 2 0 0 0 0 19 38 1 0 0 0 0 20 26 2 0 0 0 0 20 40 1 0 0 0 0 21 25 2 0 0 0 0 21 41 1 0 0 0 0 22 25 1 0 0 0 0 22 42 1 0 0 0 0 24 26 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 27 29 2 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 M END $$$$