BVUD98 -OEChem-04012118342D 57 59 0 0 0 0 0 0 0999 V2000 5.4641 -2.0670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.0670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -1.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -2.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4282 -1.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4282 -2.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 0.8504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 1.5407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 1.5156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 0.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 2.3961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 3.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 3.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 3.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 2.3961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -0.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -3.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -3.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -3.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -3.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -3.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 -0.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -2.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.7570 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 13 1 0 0 0 0 1 18 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 17 1 0 0 0 0 2 19 1 0 0 0 0 7 12 1 0 0 0 0 7 17 2 0 0 0 0 8 13 2 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 16 2 0 0 0 0 13 16 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 18 20 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 21 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 22 48 1 0 0 0 0 23 27 2 0 0 0 0 23 49 1 0 0 0 0 24 28 1 0 0 0 0 24 50 1 0 0 0 0 25 29 2 0 0 0 0 25 51 1 0 0 0 0 26 30 2 0 0 0 0 26 52 1 0 0 0 0 27 30 1 0 0 0 0 27 53 1 0 0 0 0 28 31 2 0 0 0 0 28 54 1 0 0 0 0 29 31 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 M END $$$$