-ISIS- 05020318292D 40 45 0 0 0 0 0 0 0 0999 V2000 6.9292 -6.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1375 -7.4458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1375 -8.3625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9292 -8.8208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7208 -8.3625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7208 -7.4458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5542 -8.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -8.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -7.4458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5542 -6.9458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1375 -6.9458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1375 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -5.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -7.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7208 -6.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7208 -6.0292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9292 -5.6125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5125 -5.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5125 -4.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7208 -4.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9292 -4.6958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7625 -6.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -6.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -9.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -9.2375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7208 -8.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3458 -8.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -6.4042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7208 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2625 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -3.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5542 -9.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5958 -9.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2625 -9.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 -7.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1375 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4292 -6.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4292 -7.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3875 -5.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 6 10 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 18 22 1 0 0 0 0 4 5 1 0 0 0 0 6 23 1 1 0 0 0 5 6 1 0 0 0 0 9 24 1 1 0 0 0 1 6 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 12 13 2 0 0 0 0 18 29 1 1 0 0 0 17 38 1 1 0 0 0 13 14 1 0 0 0 0 21 30 1 6 0 0 0 10 14 1 0 0 0 0 22 31 1 1 0 0 0 1 2 1 0 0 0 0 22 32 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 33 1 1 0 0 0 26 34 1 0 0 0 0 5 7 1 0 0 0 0 11 15 1 0 0 0 0 4 35 1 6 0 0 0 34 35 1 0 0 0 0 3 28 1 6 0 0 0 2 36 1 6 0 0 0 15 16 1 0 0 0 0 11 37 1 6 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 12 18 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 G 38 17 COOH M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 38 39 40 M SBL 1 1 22 M SMT 1 COOH M SBV 1 22 -0.7000 0.4200 M END