-ISIS- 05020323002D 51 56 0 0 0 0 0 0 0 0999 V2000 9.6333 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9250 -5.6458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9250 -6.5208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6333 -6.9375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3833 -6.5208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3833 -5.6458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0917 -6.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8000 -6.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8000 -5.6458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0917 -5.2292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.5500 -5.2292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5500 -4.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8000 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0917 -4.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -5.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9667 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9667 -4.3958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2583 -3.9792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7167 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7167 -3.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9667 -2.7708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2583 -3.1458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0917 -7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1750 -7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5500 -2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9667 -1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3417 -5.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8000 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5500 -6.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -4.8125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -5.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -7.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -8.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -8.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -8.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -7.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -6.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5083 -6.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2583 -6.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -5.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0917 -7.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6333 -6.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -8.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 -7.6458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -2.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6750 -4.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6750 -5.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1750 -4.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -9.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6333 -9.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 0 0 0 4 24 1 6 0 0 0 1 6 1 0 0 0 0 22 25 1 1 0 0 0 21 26 1 6 0 0 0 9 11 1 0 0 0 0 6 27 1 1 0 0 0 11 12 1 0 0 0 0 9 28 1 1 0 0 0 12 13 2 0 0 0 0 11 29 1 6 0 0 0 13 14 1 0 0 0 0 10 14 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 5 7 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 32 37 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 12 18 1 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 17 47 1 1 0 0 0 18 30 1 1 0 0 0 2 31 1 6 0 0 0 3 42 1 1 0 0 0 38 41 2 0 0 0 0 39 40 2 0 0 0 0 40 45 1 0 0 0 0 39 43 1 0 0 0 0 36 39 1 0 0 0 0 19 20 1 0 0 0 0 22 46 1 6 0 0 0 38 42 1 0 0 0 0 33 44 1 0 0 0 0 34 50 1 0 0 0 0 38 40 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 47 48 2 0 0 0 0 47 49 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 1 0 0 0 50 51 1 0 0 0 0 G 47 17 COOH G 50 34 OCH3 M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 3 47 48 49 M SBL 1 1 34 M SMT 1 COOH M SBV 1 34 -0.7100 0.4200 M SAL 2 2 50 51 M SBL 2 1 47 M SMT 2 OCH3 M SBV 2 47 0.0000 0.5800 M END