BVGI57 -OEChem-04012115272D 52 56 0 0 0 0 0 0 0999 V2000 10.1087 0.1353 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 2.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 1.1044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 1.1044 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3179 -0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1840 -1.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 -1.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1200 0.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0500 -0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6200 1.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7149 -0.6694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1840 -2.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 -2.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9160 -1.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7820 -0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7820 0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0500 0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 1.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3179 -2.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9160 0.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 1.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6760 -1.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6760 0.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 2.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 1.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5820 -0.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5820 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 2.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 1.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 1.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 1.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2026 1.3165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5123 1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1082 -0.7972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7209 -2.6465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9150 -2.6465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9160 -1.9565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3100 0.5675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5130 0.4735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7026 2.1825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0123 2.5810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3179 -3.4565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9160 1.2835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6688 -1.9911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6688 1.3182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9300 3.3734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9300 0.5675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1178 -1.1694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1178 0.4964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 3.3734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 0.5675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 2 31 1 0 0 0 0 2 52 1 0 0 0 0 3 31 2 0 0 0 0 4 10 1 0 0 0 0 4 18 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 9 1 0 0 0 0 6 12 2 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 14 2 0 0 0 0 9 17 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 12 19 1 0 0 0 0 12 35 1 0 0 0 0 13 19 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 22 2 0 0 0 0 16 20 1 0 0 0 0 16 23 2 0 0 0 0 17 20 2 0 0 0 0 17 39 1 0 0 0 0 18 21 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 20 43 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 44 1 0 0 0 0 23 27 1 0 0 0 0 23 45 1 0 0 0 0 24 28 1 0 0 0 0 24 46 1 0 0 0 0 25 29 2 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 28 30 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 M END $$$$