23 23 0 0 1 0 0 0 0 0 1 V2000 5.6208 -5.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 -4.6250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -4.6667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5167 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -5.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -4.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5167 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -3.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -6.2417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6292 -8.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -8.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -6.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3417 -3.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -7.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -6.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5167 -6.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -7.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 -6.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 -8.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 -8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -6.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -5.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 -6.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 6 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 3 1 0 0 0 0 8 4 2 0 0 0 0 9 5 1 0 0 0 0 10 20 1 0 0 0 0 11 10 2 0 0 0 0 12 7 1 0 0 0 0 13 4 1 0 0 0 0 14 18 2 0 0 0 0 15 12 2 0 0 0 0 16 12 1 0 0 0 0 17 16 2 0 0 0 0 18 15 1 0 0 0 0 19 14 1 0 0 0 0 20 19 1 0 0 0 0 21 9 1 0 0 0 0 22 9 1 0 0 0 0 23 9 1 0 0 0 0 17 14 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00273424 > F > 78539 > - > - > - > - $$$$ 17 17 0 0 1 0 0 0 0 0 1 V2000 8.3167 -6.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -6.2667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3167 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -6.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 -5.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -5.4417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1792 -6.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5750 -5.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0292 -6.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -6.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -6.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -6.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -4.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 8 1 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 8 14 1 0 0 0 0 2 9 1 6 0 0 0 10 1 1 0 0 0 0 11 7 2 0 0 0 0 12 7 1 0 0 0 0 13 11 1 0 0 0 0 14 12 2 0 0 0 0 15 6 1 0 0 0 0 16 6 1 0 0 0 0 17 6 1 0 0 0 0 13 8 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00037202 > A > 533130 > - > - > - > - $$$$ 24 25 0 0 1 0 0 0 0 0 1 V2000 7.1000 -5.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3917 -6.3292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 -7.1875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1042 -7.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -7.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8167 -6.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -8.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -5.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -7.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9167 -7.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 -4.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -7.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 -7.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3708 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -5.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6375 -7.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6583 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -2.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0708 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3583 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 1 0 0 0 4 3 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 4 2 0 0 0 0 8 1 1 0 0 0 0 9 5 1 0 0 0 0 10 4 1 0 0 0 0 11 15 2 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 14 9 2 0 0 0 0 15 14 1 0 0 0 0 16 13 2 0 0 0 0 17 12 1 0 0 0 0 18 11 1 0 0 0 0 19 10 1 0 0 0 0 20 17 2 0 0 0 0 21 17 1 0 0 0 0 22 21 2 0 0 0 0 23 20 1 0 0 0 0 24 22 1 0 0 0 0 24 23 2 0 0 0 0 16 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00153348 > A > 547034 > - > - > - > - $$$$ 24 25 0 0 1 0 0 0 0 0 1 V2000 4.2072 -4.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9217 -3.8316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6362 -4.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3342 -3.1171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3342 -2.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0487 -1.8796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7632 -2.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6222 -1.8811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 -1.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1921 -2.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9066 -1.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9066 -1.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1921 -0.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 -1.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6362 -5.0663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4928 -3.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4928 -3.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7783 -2.5941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0638 -3.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0638 -3.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7783 -4.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3518 -2.5955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3507 -3.8316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0626 -4.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 2 4 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 5 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 9 1 0 0 0 0 3 15 2 0 0 0 0 1 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 16 1 0 0 0 0 19 22 1 0 0 0 0 3 23 1 0 0 0 0 2 1 1 0 0 0 0 23 24 1 0 0 0 0 G 23 3 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 23 24 M SBL 1 1 23 M SMT 1 OCH3 M SBV 1 23 -0.7200 -0.4200 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00038784 > A > 547069 > - > - > - > - $$$$ 21 21 0 0 1 0 0 0 0 0 1 V2000 0.7156 0.9734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4301 1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0011 1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7156 0.1484 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4301 2.2081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7109 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4253 1.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1398 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1398 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4253 -0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7109 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8518 -0.2612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1421 0.9748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1421 0.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -1.0849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1397 -1.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7286 -2.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5508 -0.7839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8518 -1.9071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1397 0.1484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 1 2 5 2 0 3 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 6 2 0 9 12 1 0 2 13 1 0 13 14 1 0 4 20 1 0 15 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 20 21 2 0 15 20 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 13 14 M SBL 1 1 13 M SMT 1 OCH3 M SBV 1 13 -0.7121 0.4111 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 7 15 16 17 18 19 20 21 M SBL 2 1 15 M SMT 2 Boc M SBV 2 15 -0.7121 0.4111 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00191181 > A > 469106 > - > - > - > - $$$$ 31 32 0 0 1 0 0 0 0 0 1 V2000 6.2990 -1.1220 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0202 -4.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0829 -1.1197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4554 -0.4178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8452 -4.7123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6048 -4.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4554 -1.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6478 -5.4142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0429 0.2841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7796 -4.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0829 -2.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2577 -3.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2804 -0.4178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4983 -3.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2577 -2.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8452 -3.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0829 -3.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3699 -3.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7859 -2.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3768 -1.8682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5509 -1.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1358 -2.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5473 -3.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6083 -2.5833 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.5356 -0.4361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1170 0.1453 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6984 -0.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5356 0.7267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6984 0.7267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7385 -0.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1571 -0.8018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11 15 2 0 0 0 0 15 16 1 0 0 0 0 14 17 2 0 0 0 0 12 17 1 0 0 0 0 1 30 1 0 0 0 0 10 18 1 0 0 0 0 2 5 1 0 0 0 0 18 19 2 0 0 0 0 3 1 1 1 0 0 0 19 20 1 0 0 0 0 3 4 1 0 0 0 0 20 21 2 0 0 0 0 5 12 1 0 0 0 0 21 22 1 0 0 0 0 2 6 1 0 0 0 0 22 23 2 0 0 0 0 23 18 1 0 0 0 0 3 7 1 0 0 0 0 19 24 1 0 0 0 0 2 8 2 0 0 0 0 4 9 2 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 12 16 2 0 0 0 0 4 13 1 0 0 0 0 11 14 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 26 29 1 0 0 0 0 30 31 2 0 0 0 0 25 30 1 0 0 0 0 G 30 1 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 25 26 27 28 29 30 31 M SBL 1 1 5 M SMT 1 Boc M SBV 1 5 0.5600 -0.9100 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00062936 > F > 17815 > - > - > - > - $$$$ 36 38 0 0 1 0 0 0 0 0 1 V2000 7.4899 -6.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9024 -5.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4899 -4.7838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9024 -4.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4899 -3.3543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7276 -4.0705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7984 -4.7754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6649 -6.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2521 -6.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6649 -7.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4899 -7.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9024 -6.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2521 -8.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4271 -8.3591 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 4.6021 -8.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4271 -7.5341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4271 -9.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7138 -9.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1833 -7.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5982 -6.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1802 -6.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3486 -6.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9369 -6.9337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3573 -7.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0019 -9.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2890 -9.5937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 -10.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0081 -10.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7180 -10.4157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2156 -3.9113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7970 -4.4927 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2156 -5.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3784 -3.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3784 -5.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4214 -4.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2086 -4.9183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17 18 1 0 0 0 0 7 35 1 0 0 0 0 15 19 1 0 0 0 0 1 2 1 0 0 0 0 19 20 2 0 0 0 0 2 3 1 0 0 0 0 20 21 1 0 0 0 0 3 4 1 0 0 0 0 21 22 2 0 0 0 0 4 5 2 0 0 0 0 22 23 1 0 0 0 0 4 6 1 0 0 0 0 23 24 2 0 0 0 0 24 19 1 0 0 0 0 3 7 1 6 0 0 0 18 25 2 0 0 0 0 1 8 2 0 0 0 0 25 26 1 0 0 0 0 8 9 1 0 0 0 0 26 27 2 0 0 0 0 9 10 2 0 0 0 0 27 28 1 0 0 0 0 10 11 1 0 0 0 0 28 29 2 0 0 0 0 29 18 1 0 0 0 0 11 12 2 0 0 0 0 1 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 35 36 2 0 0 0 0 30 35 1 0 0 0 0 G 35 7 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 30 31 32 33 34 35 36 M SBL 1 1 2 M SMT 1 Boc M SBV 1 2 0.3700 -0.6500 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00080285 > F > 03574 > - > - > - > - $$$$ 14 14 0 0 1 0 0 0 0 0 1 V2000 6.5686 -6.8837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9811 -6.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5686 -5.4542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9811 -4.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5686 -4.0246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8063 -4.7408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7436 -6.8837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3308 -7.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7436 -8.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5686 -8.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9811 -7.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8592 -5.4656 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -9.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -9.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 1 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 1 11 1 0 0 0 0 3 12 1 6 0 0 0 9 13 1 0 0 0 0 1 2 1 0 0 0 0 13 14 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00002604 > A > 158259 > F > 69576 > - > - $$$$ 34 34 0 0 1 0 0 0 0 0 1 V2000 7.7816 -5.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1941 -5.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7816 -4.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1941 -3.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7816 -2.9829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0193 -3.6991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9860 -4.4041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9566 -5.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5439 -6.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9566 -7.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7816 -7.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1941 -6.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5439 -7.9878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7189 -7.9878 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 4.8939 -7.9878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7189 -7.1628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7189 -8.8130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0056 -9.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4811 -7.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6561 -7.2744 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6561 -8.0967 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8339 -7.2744 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6561 -6.4522 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4242 -8.6441 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0056 -8.0627 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0056 -9.2255 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8428 -9.2255 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.2783 -5.0024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8597 -5.5838 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2783 -6.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4411 -5.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4411 -6.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4841 -5.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2713 -6.0094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 1 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 17 18 1 0 0 0 0 15 19 1 0 0 0 0 19 20 1 0 0 0 0 18 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 7 33 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 4 5 2 0 0 0 0 4 6 1 0 0 0 0 3 7 1 6 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 33 34 2 0 0 0 0 28 33 1 0 0 0 0 G 20 19 CCl3 G 24 18 CCl3 G 33 7 Boc M STY 3 1 SUP 2 SUP 3 SUP M SLB 3 1 1 2 2 3 3 M SAL 1 4 20 21 22 23 M SBL 1 1 17 M SMT 1 CCl3 M SBV 1 17 0.8200 0.0000 M SAL 2 4 24 25 26 27 M SBL 2 1 18 M SMT 2 CCl3 M SBV 2 18 0.5800 -0.5800 M SAL 3 7 28 29 30 31 32 33 34 M SBL 3 1 22 M SMT 3 Boc M SBV 3 22 0.5000 0.8100 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD03453208 > F > 09671 > - > - > - > - $$$$ 45 49 0 0 1 0 0 0 0 0 1 V2000 8.0917 -5.9500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5083 -5.5333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6167 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -5.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -5.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3750 -5.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6625 -5.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 -5.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0917 -6.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -5.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9458 -5.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6625 -6.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5208 -5.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 -4.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -5.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1458 -6.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -3.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -3.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7083 -6.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5186 -4.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2317 -4.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9456 -4.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9461 -3.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2266 -3.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5156 -3.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7958 -3.0625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.2250 -5.5375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.6542 -4.7125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.6583 -3.0583 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.2208 -2.2375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 -7.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8004 -8.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5121 -8.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2265 -8.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2249 -7.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5126 -6.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9375 -8.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6500 -8.0125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3668 -8.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6454 -7.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3625 -7.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23 19 2 0 0 0 0 4 3 1 0 0 0 0 23 20 1 0 0 0 0 17 22 2 0 0 0 0 15 24 1 0 0 0 0 2 11 1 0 0 0 0 24 25 2 0 0 0 0 3 6 2 0 0 0 0 25 26 1 0 0 0 0 4 5 2 0 0 0 0 26 27 2 0 0 0 0 5 2 1 0 0 0 0 27 28 1 0 0 0 0 6 2 1 0 0 0 0 28 29 2 0 0 0 0 29 24 1 0 0 0 0 1 7 1 6 0 0 0 29 30 1 0 0 0 0 8 7 1 0 0 0 0 25 31 1 0 0 0 0 9 1 1 0 0 0 0 26 32 1 0 0 0 0 10 1 1 0 0 0 0 27 33 1 0 0 0 0 11 12 1 0 0 0 0 28 34 1 0 0 0 0 12 8 1 0 0 0 0 10 35 1 0 0 0 0 13 8 2 0 0 0 0 35 36 2 0 0 0 0 14 9 2 0 0 0 0 36 37 1 0 0 0 0 15 9 1 0 0 0 0 37 38 2 0 0 0 0 16 4 1 0 0 0 0 38 39 1 0 0 0 0 17 3 1 0 0 0 0 39 40 2 0 0 0 0 40 35 1 0 0 0 0 18 6 1 0 0 0 0 38 41 1 0 0 0 0 19 5 1 0 0 0 0 41 42 1 0 0 0 0 20 16 2 0 0 0 0 42 43 1 0 0 0 0 21 18 2 0 0 0 0 42 44 1 0 0 0 0 22 21 1 0 0 0 0 42 45 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00077077 > F > 47456 > - > - > - > - $$$$ 20 20 0 0 1 0 0 0 0 0 1 V2000 2.1167 -0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8333 -0.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5458 -0.5750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5417 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 0.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 0.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 -0.5917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2667 -1.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 0.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -3.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -3.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -4.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 1 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 3 1 0 0 0 0 8 4 2 0 0 0 0 9 5 1 0 0 0 0 10 7 1 0 0 0 0 11 4 1 0 0 0 0 12 16 1 0 0 0 0 13 10 2 0 0 0 0 14 10 1 0 0 0 0 15 13 1 0 0 0 0 16 14 2 0 0 0 0 17 12 1 0 0 0 0 18 9 1 0 0 0 0 19 9 1 0 0 0 0 20 9 1 0 0 0 0 12 15 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00063030 > F > 15187 > - > - > - > - $$$$ 21 21 0 0 1 0 0 0 0 0 1 V2000 2.1167 -0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8333 -0.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5458 -0.5750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5417 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 0.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 0.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 -0.5917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2667 -1.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 0.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -3.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -3.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -4.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 1 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 3 1 0 0 0 0 8 4 2 0 0 0 0 9 5 1 0 0 0 0 10 7 1 0 0 0 0 11 4 1 0 0 0 0 12 16 1 0 0 0 0 13 10 2 0 0 0 0 14 10 1 0 0 0 0 15 13 1 0 0 0 0 16 14 2 0 0 0 0 17 12 1 0 0 0 0 18 9 1 0 0 0 0 19 9 1 0 0 0 0 20 9 1 0 0 0 0 21 11 1 0 0 0 0 12 15 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00057824 > F > 15188 > - > - > - > - $$$$ 23 24 0 0 1 0 0 0 0 0 1 V2000 3.6708 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -0.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -1.3500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8250 -0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -2.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -0.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -0.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8333 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -1.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 -3.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2333 -1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -3.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -3.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2583 -2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5208 -0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9833 -3.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0833 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 -0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 1 0 0 0 4 3 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 4 2 0 0 0 0 8 1 1 0 0 0 0 9 5 1 0 0 0 0 10 4 1 0 0 0 0 11 16 1 0 0 0 0 12 8 1 0 0 0 0 13 9 2 0 0 0 0 14 9 1 0 0 0 0 15 13 1 0 0 0 0 16 14 2 0 0 0 0 17 12 1 0 0 0 0 18 11 1 0 0 0 0 19 17 2 0 0 0 0 20 17 1 0 0 0 0 21 19 1 0 0 0 0 22 20 2 0 0 0 0 23 21 2 0 0 0 0 22 23 1 0 0 0 0 11 15 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00063031 > F > 97285 > - > - > - > - $$$$ 33 36 0 0 1 0 0 0 0 0 1 V2000 6.9934 -6.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4059 -5.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9934 -4.6748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4059 -3.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9934 -3.2450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2311 -3.9612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1715 -4.6527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1684 -6.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7557 -6.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1684 -7.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9934 -7.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4059 -6.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7557 -8.2501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9307 -8.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5182 -8.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6930 -8.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9503 -8.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7546 -8.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1657 -7.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6155 -7.2341 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8644 -7.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1133 -7.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4481 -7.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 -8.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2851 -8.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1657 -9.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9879 -9.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3990 -8.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9879 -7.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7865 -6.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5685 -6.1758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7394 -5.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1284 -4.8213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15 16 2 0 0 0 0 7 32 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 4 5 2 0 0 0 0 4 6 1 0 0 0 0 3 7 1 6 0 0 0 1 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 1 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 17 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 17 25 1 0 0 0 0 18 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 G 32 7 Fmoc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 M SAL 1 2 32 33 M SBL 1 1 2 M SMT 1 Fmoc M SBV 1 2 0.4400 0.7200 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00273461 > F > 47509 > - > - > - > - $$$$ 26 26 0 0 1 0 0 0 0 0 1 V2000 6.3043 -9.0340 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.4030 -5.4457 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8166 -6.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8982 -8.3090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5793 -9.4422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5750 -5.4399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6447 -6.1544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3217 -7.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1530 -6.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4021 -6.8720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5666 -6.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3243 -6.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1530 -7.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9107 -6.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8143 -4.7276 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7140 -9.7604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5428 -9.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0313 -8.6262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7401 -9.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4399 -4.5134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0213 -5.0948 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.4399 -5.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6027 -4.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6027 -5.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6457 -4.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4329 -5.5204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12 14 1 0 0 0 0 8 13 1 0 0 0 0 8 14 2 0 0 0 0 9 11 1 0 0 0 0 2 15 1 6 0 0 0 15 25 1 0 0 0 0 1 16 1 0 0 0 0 1 18 1 0 0 0 0 2 6 1 0 0 0 0 16 17 1 0 0 0 0 2 3 1 0 0 0 0 1 4 1 0 0 0 0 18 19 1 0 0 0 0 1 5 2 0 0 0 0 6 9 1 0 0 0 0 3 7 2 0 0 0 0 4 8 1 0 0 0 0 9 12 2 0 0 0 0 3 10 1 0 0 0 0 11 13 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 25 26 2 0 0 0 0 20 25 1 0 0 0 0 G 16 1 OCH3 G 18 1 OCH3 G 25 15 Boc M STY 3 1 SUP 2 SUP 3 SUP M SLB 3 1 1 2 2 3 3 M SAL 1 2 16 17 M SBL 1 1 7 M SDI 1 4 6.3900 -9.6200 6.7500 -9.4100 M SMT 1 OCH3 M SBV 1 7 -0.4100 0.7200 M SAL 2 2 18 19 M SBL 2 1 8 M SDI 2 4 6.8800 -8.9300 6.6800 -8.5700 M SMT 2 OCH3 M SBV 2 8 -0.7200 -0.4100 M SAL 3 7 20 21 22 23 24 25 26 M SBL 3 1 6 M SMT 3 Boc M SBV 3 6 -0.8300 0.0000 M SDS EXP 2 1 2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00143865 > F > 00083 > - > - > - > - $$$$ 24 24 0 0 1 0 0 0 0 0 1 V2000 5.1985 -5.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6235 -5.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2152 -4.4163 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6360 -3.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2235 -2.9909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4654 -3.7113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3862 -4.4079 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3693 -5.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9565 -6.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3693 -7.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1985 -7.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6110 -6.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9482 -8.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1190 -8.0082 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7000 -7.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 -8.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -8.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6818 -4.7086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3939 -5.1197 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9819 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -4.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1060 -5.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 -5.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 -5.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 1 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 7 23 1 0 0 0 0 14 15 1 0 0 0 0 1 2 1 0 0 0 0 14 16 1 0 0 0 0 2 3 1 0 0 0 0 14 17 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 3 7 1 6 0 0 0 1 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 23 24 2 0 0 0 0 18 23 1 0 0 0 0 G 23 7 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 18 19 20 21 22 23 24 M SBL 1 1 6 M SMT 1 Boc M SBV 1 6 0.4100 0.7100 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00065598 > F > 15434 > - > - > - > - $$$$ 31 32 0 0 1 0 0 0 0 0 1 V2000 7.9452 -6.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3577 -5.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9452 -4.9788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3577 -4.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9452 -3.5492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1830 -4.2654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0830 -5.0288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1202 -6.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7075 -7.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1202 -7.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9452 -7.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3577 -7.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7075 -8.5541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8825 -8.5541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4700 -9.2674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4700 -7.8407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6448 -7.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2323 -7.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6448 -6.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2323 -5.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4044 -5.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9890 -6.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4044 -7.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9919 -7.8437 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.1661 -3.8379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8782 -4.2490 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4662 -4.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2884 -3.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5902 -4.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4553 -4.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4553 -5.0668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 1 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 15 14 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 18 17 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 18 23 1 0 0 0 0 23 24 1 0 0 0 0 7 30 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 4 5 2 0 0 0 0 4 6 1 0 0 0 0 3 7 1 6 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 30 31 2 0 0 0 0 25 30 1 0 0 0 0 G 30 7 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 25 26 27 28 29 30 31 M SBL 1 1 20 M SMT 1 Boc M SBV 1 20 0.6200 -0.7800 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00037098 > F > 15431 > - > - > - > - $$$$ 36 40 0 0 1 0 0 0 0 0 1 V2000 4.3821 -8.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2113 -8.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6181 -7.9861 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4473 -7.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8541 -7.2601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8652 -8.6897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2010 -7.2780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9654 -7.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1370 -8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7266 -8.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1506 -9.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9776 -9.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -8.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4833 -8.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8986 -7.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4826 -6.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6528 -6.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2406 -7.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 -8.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1359 -4.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3304 -4.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9249 -4.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4799 -5.4141 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2284 -5.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9821 -5.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6435 -4.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5511 -4.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7973 -3.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9137 -3.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0914 -3.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6860 -4.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1027 -4.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3153 -6.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5354 -6.4799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3707 -7.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9862 -7.8307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16 17 2 0 0 0 0 1 8 2 0 0 0 0 17 18 1 0 0 0 0 7 35 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 8 9 1 0 0 0 0 1 2 1 0 0 0 0 9 10 2 0 0 0 0 2 3 1 0 0 0 0 10 11 1 0 0 0 0 3 4 1 0 0 0 0 11 12 2 0 0 0 0 12 1 1 0 0 0 0 4 5 2 0 0 0 0 10 13 1 0 0 0 0 4 6 1 0 0 0 0 13 14 1 0 0 0 0 3 7 1 6 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 20 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 20 28 1 0 0 0 0 21 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 22 32 1 0 0 0 0 23 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 G 35 7 Fmoc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 M SAL 1 2 35 36 M SBL 1 1 4 M SMT 1 Fmoc M SBV 1 4 0.8400 0.0100 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00065682 > F > 47565 > - > - > - > - $$$$ 14 14 0 0 1 0 0 0 0 0 1 V2000 5.7167 -6.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4312 -6.4264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1456 -6.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3926 -5.4628 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1456 -7.6611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0022 -6.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0022 -5.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2878 -5.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5733 -5.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5733 -6.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2878 -6.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8613 -5.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8601 -6.4264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5721 -6.8375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 3 5 2 0 0 0 0 2 4 1 6 0 0 0 6 1 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 6 1 0 0 0 0 9 12 1 0 0 0 0 3 13 1 0 0 0 0 2 1 1 0 0 0 0 13 14 1 0 0 0 0 G 13 3 NHNH2 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 13 14 M SBL 1 1 12 M SMT 1 NHNH2 M SBV 1 12 -0.7100 -0.4100 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00007609 > A > 138045 > F > 93915 > - > - $$$$ 14 14 0 0 1 0 0 0 0 0 1 V2000 5.9271 -6.7829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3396 -6.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9271 -5.3533 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3396 -4.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9271 -3.9238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1649 -4.6400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1021 -6.7829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6894 -7.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1021 -8.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9271 -8.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3396 -7.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6894 -8.9286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -5.3458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5708 -5.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 1 11 1 0 0 0 0 9 12 1 0 0 0 0 3 13 1 6 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 1 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 6 14 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00002392 > A > T90808 > F > 93920 > - > - $$$$ 40 41 0 0 1 0 0 0 0 0 1 V2000 8.6507 -6.0447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0632 -5.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6520 -4.6181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8854 -5.3302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0618 -6.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6507 -7.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8257 -7.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4132 -8.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8257 -8.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6507 -8.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0632 -8.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4145 -9.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6715 -5.6863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7288 -6.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1474 -5.6809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6451 -7.1190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3532 -5.8937 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7718 -5.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3532 -6.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6387 -6.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9853 -4.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4020 -3.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6051 -4.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3915 -4.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9749 -5.5258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0337 -2.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0337 -3.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7482 -4.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4627 -3.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4627 -2.8389 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7482 -2.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1748 -2.4306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5895 -9.6098 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5895 -10.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7673 -9.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5895 -8.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5199 -3.2132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9385 -2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5257 -5.1178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1146 -4.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 18 1 0 0 0 0 12 33 1 0 0 0 0 22 37 1 0 0 0 0 24 39 1 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 1 5 1 0 0 0 0 5 6 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 26 1 0 0 0 0 30 32 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 10 11 2 0 0 0 0 11 6 1 0 0 0 0 37 38 1 0 0 0 0 9 12 1 0 0 0 0 1 13 1 6 0 0 0 39 40 1 0 0 0 0 G 37 22 OCH3 G 33 12 t-Bu G 39 24 OCH3 M STY 3 1 SUP 2 SUP 3 SUP M SLB 3 1 1 2 2 3 3 M SAL 1 2 37 38 M SBL 1 1 15 M SMT 1 OCH3 M SBV 1 15 -0.1100 -0.7100 M SAL 2 4 33 34 35 36 M SBL 2 1 14 M SMT 2 t-Bu M SBV 2 14 0.8300 0.0000 M SAL 3 2 39 40 M SBL 3 1 16 M SMT 3 OCH3 M SBV 3 16 0.8600 0.1700 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD03095474 > F > 78444 > - > - > - > - $$$$ 34 37 0 0 1 0 0 0 0 0 1 V2000 4.7446 -7.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5738 -7.1898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9806 -6.4736 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8098 -6.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2166 -5.7476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2277 -7.1772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5635 -5.7655 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3279 -6.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4995 -6.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0891 -7.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5131 -7.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3401 -7.9176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2625 -7.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 -6.4917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2611 -5.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0215 -6.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4984 -2.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6929 -2.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2874 -3.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8424 -3.9016 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5909 -3.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3446 -3.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0060 -3.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9136 -2.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1598 -2.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2762 -1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4539 -1.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0485 -2.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4652 -3.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6778 -4.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8979 -4.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7332 -5.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3487 -6.3182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14 17 1 0 0 0 0 1 8 2 0 0 0 0 7 33 1 0 0 0 0 16 14 1 0 0 0 0 8 9 1 0 0 0 0 1 2 1 0 0 0 0 9 10 2 0 0 0 0 2 3 1 0 0 0 0 10 11 1 0 0 0 0 3 4 1 0 0 0 0 11 12 2 0 0 0 0 12 1 1 0 0 0 0 4 5 2 0 0 0 0 10 13 1 0 0 0 0 4 6 1 0 0 0 0 13 14 1 0 0 0 0 3 7 1 1 0 0 0 14 15 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 18 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 G 33 7 Fmoc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 M SAL 1 2 33 34 M SBL 1 1 3 M SMT 1 Fmoc M SBV 1 3 0.8400 0.0100 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00065684 > F > 47319 > - > - > - > - $$$$ 20 21 0 0 1 0 0 0 0 0 1 V2000 6.5686 -6.8837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9811 -6.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5686 -5.4542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9811 -4.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5686 -4.0246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8063 -4.7408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7436 -6.8837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3308 -7.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7436 -8.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5686 -8.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9811 -7.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8592 -5.4656 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -9.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -9.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 -8.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5018 -7.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0900 -6.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2642 -6.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8518 -7.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2660 -8.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 1 11 1 0 0 0 0 3 12 1 6 0 0 0 9 13 1 0 0 0 0 1 2 1 0 0 0 0 13 14 1 0 0 0 0 2 3 1 0 0 0 0 14 15 1 0 0 0 0 3 4 1 0 0 0 0 15 16 2 0 0 0 0 4 5 2 0 0 0 0 16 17 1 0 0 0 0 4 6 1 0 0 0 0 17 18 2 0 0 0 0 1 7 2 0 0 0 0 18 19 1 0 0 0 0 7 8 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00002605 > F > 14010 > - > - > - > - $$$$ 19 18 0 0 1 0 0 0 0 0 1 V2000 1.2125 -0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7958 -1.4958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8000 -0.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 -5.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 -5.0542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7875 -2.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0417 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0292 -1.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0333 -0.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6833 -3.3125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0375 -2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1958 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4542 -3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2792 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1083 -5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2792 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4458 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 8 1 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 8 15 2 0 0 0 0 2 9 1 6 0 0 0 10 1 1 0 0 0 0 12 7 2 0 0 0 0 13 7 1 0 0 0 0 14 13 2 0 0 0 0 15 12 1 0 0 0 0 16 6 1 0 0 0 0 17 6 1 0 0 0 0 18 6 1 0 0 0 0 19 10 1 0 0 0 0 14 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00153466 > F > 96627 > - > - > - > - $$$$ 30 32 0 0 1 0 0 0 0 0 1 V2000 1.9167 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 -0.9667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -1.3875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0708 -0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 -2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9125 -2.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 -0.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 -3.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -1.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -3.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9375 -3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0833 -3.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7833 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7958 -3.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -2.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6583 -3.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2292 -0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9542 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6583 -4.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3667 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9417 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0833 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3708 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0875 -4.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 -0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 6 0 0 0 4 3 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 4 2 0 0 0 0 8 1 1 0 0 0 0 9 12 1 0 0 0 0 10 5 1 0 0 0 0 11 4 1 0 0 0 0 12 18 1 0 0 0 0 13 8 1 0 0 0 0 14 9 1 0 0 0 0 15 10 2 0 0 0 0 16 10 1 0 0 0 0 17 15 1 0 0 0 0 18 16 2 0 0 0 0 19 13 1 0 0 0 0 20 14 1 0 0 0 0 21 19 2 0 0 0 0 22 19 1 0 0 0 0 23 20 2 0 0 0 0 24 20 1 0 0 0 0 25 21 1 0 0 0 0 26 24 2 0 0 0 0 27 23 1 0 0 0 0 28 22 2 0 0 0 0 29 26 1 0 0 0 0 30 28 1 0 0 0 0 30 25 2 0 0 0 0 12 17 2 0 0 0 0 29 27 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00037819 > F > 96018 > - > - > - > - $$$$ 30 33 0 0 1 0 0 0 0 0 1 V2000 -0.3375 -3.1792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7500 -4.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -4.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -3.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0042 -3.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -0.6958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7958 -1.1042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5083 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3417 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -1.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 -0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 0.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5083 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 -1.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2208 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3042 -5.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2083 -3.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 -3.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8042 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6333 -3.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3625 -4.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1083 -4.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 11 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 6 0 0 0 9 8 1 0 0 0 0 10 1 1 0 0 0 0 11 10 1 0 0 0 0 12 8 1 0 0 0 0 13 6 2 0 0 0 0 14 9 2 0 0 0 0 15 12 1 0 0 0 0 16 9 1 0 0 0 0 17 22 2 0 0 0 0 18 15 2 0 0 0 0 19 15 1 0 0 0 0 20 3 1 0 0 0 0 21 2 1 0 0 0 0 22 18 1 0 0 0 0 23 19 2 0 0 0 0 24 4 1 0 0 0 0 25 5 1 0 0 0 0 26 17 1 0 0 0 0 27 24 2 0 0 0 0 28 25 2 0 0 0 0 29 21 2 0 0 0 0 30 27 1 0 0 0 0 3 2 1 0 0 0 0 29 28 1 0 0 0 0 30 20 2 0 0 0 0 23 17 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00134890 > F > 47751 > - > - > - > - $$$$ 22 22 0 0 1 0 0 0 0 0 1 V2000 5.1985 -5.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6235 -5.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2152 -4.4163 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6360 -3.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2235 -2.9909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4654 -3.7113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3862 -4.4079 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3693 -5.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9565 -6.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3693 -7.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1985 -7.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6110 -6.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9482 -8.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1190 -8.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -7.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6818 -4.7086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3939 -5.1197 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9819 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -4.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1060 -5.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 -5.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 -5.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 1 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 7 21 1 0 0 0 0 14 15 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 3 7 1 1 0 0 0 1 8 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 21 22 2 0 0 0 0 16 21 1 0 0 0 0 G 21 7 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 16 17 18 19 20 21 22 M SBL 1 1 8 M SMT 1 Boc M SBV 1 8 0.4100 0.7100 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00065602 > F > 15095 > - > - > - > - $$$$ 22 22 0 0 1 0 0 0 0 0 1 V2000 5.1985 -5.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6235 -5.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2152 -4.4163 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6360 -3.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2235 -2.9909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4654 -3.7113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3862 -4.4079 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3693 -5.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9565 -6.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3693 -7.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1985 -7.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6110 -6.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9482 -8.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1190 -8.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -7.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6818 -4.7086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3939 -5.1197 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9819 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -4.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1060 -5.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 -5.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 -5.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 1 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 7 21 1 0 0 0 0 14 15 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 3 7 1 6 0 0 0 1 8 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 21 22 2 0 0 0 0 16 21 1 0 0 0 0 G 21 7 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 16 17 18 19 20 21 22 M SBL 1 1 8 M SMT 1 Boc M SBV 1 8 0.4100 0.7100 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00065601 > F > 15096 > - > - > - > - $$$$ 34 37 0 0 1 0 0 0 0 0 1 V2000 5.2915 -5.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1151 -5.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5255 -4.8074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3576 -4.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7680 -4.0888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7691 -5.5181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8758 -4.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0496 -4.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6350 -5.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0465 -6.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8768 -6.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8113 -5.5186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1135 -4.0951 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3967 -4.8046 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 1.9804 -4.0849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1205 -4.3882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6770 -5.2209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7834 -3.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0138 -4.7350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8356 -4.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1133 -3.9859 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4631 -3.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4019 -2.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6612 -2.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9817 -2.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0428 -3.5886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5812 -5.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9706 -6.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7925 -6.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 -5.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9025 -3.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4967 -4.3242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2860 -4.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4813 -3.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 13 33 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 4 5 2 0 0 0 0 4 6 1 0 0 0 0 1 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 1 11 1 0 0 0 0 9 12 1 0 0 0 0 3 13 1 6 0 0 0 12 14 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 18 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 G 33 13 Fmoc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 M SAL 1 2 33 34 M SBL 1 1 4 M SMT 1 Fmoc M SBV 1 4 0.8300 0.0000 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00235902 > F > 00147 > - > - > - > - $$$$ 34 36 0 0 1 0 0 0 0 0 1 V2000 3.9608 -3.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5483 -2.5323 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9608 -1.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5483 -1.1028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7860 -1.8190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6110 -1.8190 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.7389 -2.5312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0867 -2.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8716 -2.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8716 -1.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0867 -1.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8344 -0.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8201 -3.2743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5476 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7216 -3.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3084 -4.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7202 -5.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5495 -5.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9589 -4.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -6.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4833 -6.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 -6.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2465 -6.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -7.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2449 -8.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0725 -8.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4811 -7.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8520 -1.5337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4334 -2.1151 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8520 -2.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0148 -1.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0148 -2.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0578 -1.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8450 -2.5408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15 16 1 0 0 0 0 3 4 2 0 0 0 0 16 17 2 0 0 0 0 3 5 1 0 0 0 0 17 18 1 0 0 0 0 5 6 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 2 7 1 6 0 0 0 17 20 1 0 0 0 0 6 8 1 0 0 0 0 20 21 1 0 0 0 0 8 9 1 0 0 0 0 21 22 1 0 0 0 0 9 10 1 0 0 0 0 22 23 2 0 0 0 0 10 11 1 0 0 0 0 23 24 1 0 0 0 0 6 11 1 0 0 0 0 24 25 2 0 0 0 0 11 12 2 0 0 0 0 25 26 1 0 0 0 0 8 13 2 0 0 0 0 26 27 2 0 0 0 0 27 22 1 0 0 0 0 7 33 1 0 0 0 0 1 14 1 0 0 0 0 1 2 1 0 0 0 0 14 15 2 0 0 0 0 2 3 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 33 34 2 0 0 0 0 28 33 1 0 0 0 0 G 33 7 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 28 29 30 31 32 33 34 M SBL 1 1 26 M SMT 1 Boc M SBV 1 26 0.6800 -0.7800 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00037909 > F > 15377 > - > - > - > - $$$$ 27 28 0 0 1 0 0 0 0 0 1 V2000 3.9608 -3.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5483 -2.5323 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9608 -1.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5483 -1.1028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7860 -1.8190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6110 -1.8190 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.7389 -2.5312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0867 -2.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8716 -2.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8716 -1.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0867 -1.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8344 -0.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8201 -3.2743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5476 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7216 -3.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3084 -4.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7202 -5.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5495 -5.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9589 -4.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -6.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8520 -1.5337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4334 -2.1151 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8520 -2.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0148 -1.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0148 -2.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0578 -1.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8450 -2.5408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 26 1 0 0 0 0 1 14 1 0 0 0 0 1 2 1 0 0 0 0 14 15 2 0 0 0 0 2 3 1 0 0 0 0 15 16 1 0 0 0 0 3 4 2 0 0 0 0 16 17 2 0 0 0 0 3 5 1 0 0 0 0 17 18 1 0 0 0 0 5 6 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 2 7 1 6 0 0 0 17 20 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 6 11 1 0 0 0 0 11 12 2 0 0 0 0 8 13 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 26 27 2 0 0 0 0 21 26 1 0 0 0 0 G 26 7 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 21 22 23 24 25 26 27 M SBL 1 1 1 M SMT 1 Boc M SBV 1 1 0.6800 -0.7800 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00037910 > F > 15525 > - > - > - > - $$$$ 29 30 0 0 1 0 0 0 0 0 1 V2000 7.8718 -6.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2968 -5.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8885 -4.6026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3093 -3.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8968 -3.1772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1387 -3.8976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0596 -4.5942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0426 -6.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6299 -6.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0426 -7.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8718 -7.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2843 -6.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6216 -8.1987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7934 -8.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3809 -8.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5515 -8.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1403 -9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5541 -10.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3820 -10.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -9.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1267 -8.1859 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.6184 -9.6228 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.3593 -4.8949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0714 -5.3060 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6594 -6.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4816 -4.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7834 -5.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6485 -5.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6485 -6.1238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 1 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 20 22 1 0 0 0 0 7 28 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 4 5 2 0 0 0 0 4 6 1 0 0 0 0 3 7 1 6 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 28 29 2 0 0 0 0 23 28 1 0 0 0 0 G 28 7 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 23 24 25 26 27 28 29 M SBL 1 1 18 M SMT 1 Boc M SBV 1 18 0.4100 0.7100 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00065895 > F > 15393 > - > - > - > - $$$$ 31 32 0 0 1 0 0 0 0 0 1 V2000 -3.4370 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4370 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7225 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7225 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0080 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1514 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8658 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2936 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5791 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5791 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1354 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8498 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8498 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1354 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5803 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2948 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2948 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5803 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8658 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0068 -1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1221 -0.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9471 -0.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3596 0.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9471 0.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1221 0.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7096 0.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 0.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1818 0.0301 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1818 0.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1818 -0.7949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0068 0.0301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 1 3 1 0 0 0 3 4 2 0 0 0 3 5 1 0 0 0 1 6 1 0 0 0 6 7 1 0 0 0 5 8 1 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 9 1 0 0 0 7 15 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 19 7 1 0 0 0 17 20 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 26 21 1 0 0 0 26 27 1 0 0 0 23 28 1 0 0 0 28 29 2 0 0 0 28 30 2 0 0 0 28 31 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00038959 > F > 88924 > - > - > - > - $$$$ 21 21 0 0 1 0 0 0 0 0 1 V2000 5.1985 -5.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6235 -5.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2152 -4.4163 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6360 -3.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2235 -2.9909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4654 -3.7113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3862 -4.4079 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3693 -5.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9565 -6.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3693 -7.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1985 -7.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6110 -6.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9482 -8.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1190 -8.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6818 -4.7086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3939 -5.1197 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9819 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -4.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1060 -5.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 -5.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 -5.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 1 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 7 20 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 3 7 1 6 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 20 21 2 0 0 0 0 15 20 1 0 0 0 0 G 20 7 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 15 16 17 18 19 20 21 M SBL 1 1 9 M SMT 1 Boc M SBV 1 9 0.4100 0.7100 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00065603 > F > 15161 > - > - > - > - $$$$ 36 39 0 0 1 0 0 0 0 0 1 V2000 5.1327 -5.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9565 -5.8475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3873 -5.1421 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2112 -5.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6419 -4.4565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6068 -5.8861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9597 -4.4438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7371 -5.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9108 -5.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4801 -5.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8757 -6.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7020 -6.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6563 -5.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2607 -5.0462 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 1.5367 -5.4418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1001 -4.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8969 -4.3141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1238 -3.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0436 -4.5835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3894 -3.7335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9931 -3.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2230 -3.7483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6565 -3.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4861 -3.0576 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7724 -2.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4006 -2.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2495 -1.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4662 -1.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8358 -1.5831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9909 -2.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9581 -3.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7659 -4.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3729 -5.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1681 -4.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3563 -4.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7555 -3.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 18 19 1 0 0 0 0 4 5 2 0 0 0 0 7 20 1 0 0 0 0 4 6 1 0 0 0 0 20 21 2 0 0 0 0 3 7 1 6 0 0 0 20 22 1 0 0 0 0 1 8 2 0 0 0 0 22 23 1 0 0 0 0 8 9 1 0 0 0 0 24 31 1 0 0 0 0 36 25 1 0 0 0 0 30 24 1 0 0 0 0 23 24 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 1 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 25 30 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 1 2 1 0 0 0 0 16 17 1 0 0 0 0 31 36 2 0 0 0 0 31 32 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 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00133599 > F > 47523 > - > - > - > - $$$$ 26 26 0 0 1 0 0 0 0 0 1 V2000 -0.5773 1.6629 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0628 1.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4450 1.6656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0876 1.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5773 1.0712 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0628 2.5533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5996 1.6656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1099 1.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6244 1.6656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6244 1.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1099 0.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5996 1.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1322 0.7808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4577 1.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9697 1.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9697 0.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4577 0.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9457 0.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9457 1.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4379 0.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0741 0.6230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5819 0.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5819 -0.2602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7432 1.1533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4577 1.5658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1697 1.1547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 7 2 0 0 0 0 10 13 1 0 0 0 0 5 22 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 4 1 1 0 0 0 0 1 5 1 1 0 0 0 2 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 14 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 G 22 5 Cbz G 24 0 • H2O M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 10 14 15 16 17 18 19 20 21 22 23 M SBL 1 1 3 M SMT 1 Cbz M SBV 1 3 0.0100 0.7500 M SAL 2 3 24 25 26 M SMT 2 • H2O M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00191899 > A > 470597 > F > 97290 > - > - $$$$ 16 16 0 0 1 0 0 0 0 0 1 V2000 5.0655 -7.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7800 -7.3732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4945 -7.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2090 -7.3732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1925 -6.6587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1925 -5.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4805 -5.4227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4945 -8.6079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 -7.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 -6.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6366 -6.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9221 -6.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9221 -7.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6366 -7.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2101 -6.1371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9070 -5.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 2 5 1 6 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 3 8 2 0 0 0 0 1 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 9 1 0 0 0 0 12 15 1 0 0 0 0 6 16 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00037190 > 1 > T4446 > - > - > - > - $$$$ 34 37 0 0 1 0 0 0 0 0 1 V2000 6.0958 -5.3708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3125 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0958 -4.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5833 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3125 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7458 -6.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -7.6417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7458 -8.3583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4625 -8.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5083 -6.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -6.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0333 -8.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5708 -6.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 -9.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -7.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4583 -7.5333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3167 -8.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -7.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1750 -8.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -7.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -8.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -8.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -7.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4333 -3.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4042 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2458 -6.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7458 -7.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4583 -8.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7375 -3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -3.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8833 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8833 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 11 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 6 0 0 0 9 8 1 0 0 0 0 10 1 1 0 0 0 0 11 10 1 0 0 0 0 12 8 1 0 0 0 0 13 6 2 0 0 0 0 14 9 2 0 0 0 0 15 18 1 0 0 0 0 16 15 1 0 0 0 0 17 12 1 0 0 0 0 18 22 1 0 0 0 0 19 9 1 0 0 0 0 20 17 2 0 0 0 0 21 17 1 0 0 0 0 22 21 2 0 0 0 0 23 20 1 0 0 0 0 24 2 2 0 0 0 0 25 3 1 0 0 0 0 26 4 1 0 0 0 0 27 5 2 0 0 0 0 28 16 1 0 0 0 0 29 16 1 0 0 0 0 30 16 1 0 0 0 0 31 26 2 0 0 0 0 32 31 1 0 0 0 0 33 24 1 0 0 0 0 34 27 1 0 0 0 0 2 3 1 0 0 0 0 34 33 2 0 0 0 0 25 32 2 0 0 0 0 18 23 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00037129 > A > 459348 > F > 47623 > - > - $$$$ 20 20 0 0 1 0 0 0 0 0 1 V2000 6.8500 -5.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8500 -6.4458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2625 -7.1583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9792 -7.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1375 -5.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5625 -5.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -7.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -8.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2083 -5.1917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7250 -7.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6917 -7.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 -7.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3125 -8.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3125 -6.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -6.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -8.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -7.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7958 -5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3833 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9958 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 6 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 3 1 0 0 0 0 8 4 2 0 0 0 0 9 5 1 0 0 0 0 10 7 1 0 0 0 0 11 4 1 0 0 0 0 12 16 1 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 14 1 0 0 0 0 16 13 2 0 0 0 0 17 12 1 0 0 0 0 18 9 1 0 0 0 0 19 9 1 0 0 0 0 20 9 1 0 0 0 0 12 15 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00037179 > A > 374229 > F > 15520 > - > - $$$$ 27 28 0 0 1 0 0 0 0 0 1 V2000 5.1985 -5.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6235 -5.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2152 -4.4163 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6360 -3.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2235 -2.9909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4654 -3.7113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3862 -4.4079 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3693 -5.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9565 -6.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3693 -7.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1985 -7.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6110 -6.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9482 -8.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1190 -8.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -7.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1176 -6.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6993 -5.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8647 -5.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4502 -6.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8710 -7.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6818 -4.7086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3939 -5.1197 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9819 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -4.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1060 -5.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 -5.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 -5.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 7 26 1 0 0 0 0 14 15 1 0 0 0 0 1 2 1 0 0 0 0 15 16 2 0 0 0 0 2 3 1 0 0 0 0 16 17 1 0 0 0 0 3 4 1 0 0 0 0 17 18 2 0 0 0 0 4 5 2 0 0 0 0 18 19 1 0 0 0 0 4 6 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 3 7 1 6 0 0 0 1 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 1 12 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 26 27 2 0 0 0 0 21 26 1 0 0 0 0 G 26 7 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 21 22 23 24 25 26 27 M SBL 1 1 3 M SMT 1 Boc M SBV 1 3 0.4100 0.7100 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00065597 > F > 15410 > - > - > - > - $$$$ 13 13 0 0 1 0 0 0 0 0 1 V2000 6.5686 -6.8837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9811 -6.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5686 -5.4542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9811 -4.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5686 -4.0246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8063 -4.7408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7436 -6.8837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3308 -7.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7436 -8.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5686 -8.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9811 -7.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8592 -5.4656 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -9.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 1 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 1 11 1 0 0 0 0 3 12 1 6 0 0 0 9 13 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00002606 > F > 93830 > S > T8566 > - > - $$$$ 13 13 0 0 1 0 0 0 0 0 1 V2000 6.5000 -4.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 -5.3500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0875 -3.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -6.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 -6.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -5.3083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3250 -4.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -8.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8458 -8.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -6.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -7.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 -8.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8458 -7.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 2 6 1 1 0 0 0 7 1 1 0 0 0 0 8 12 1 0 0 0 0 9 8 1 0 0 0 0 10 5 2 0 0 0 0 11 5 1 0 0 0 0 12 11 2 0 0 0 0 13 10 1 0 0 0 0 8 13 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00063073 > A > 855456 > F > 93840 > - > - $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 1.4764 0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7752 -0.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2339 -0.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0741 0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7752 -2.9648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2339 -2.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1539 0.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0741 3.6343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9377 -0.3671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1539 -3.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0741 -0.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0741 -2.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9377 -3.5941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 2 0 0 0 0 10 12 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00063074 > A > 145726 > F > 93850 > - > - $$$$ 17 16 0 0 0 0 0 0 0 0 1 V2000 0.7698 1.1749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6798 0.9849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6798 0.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3499 0.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8100 0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8100 -0.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7299 -0.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1900 0.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7299 0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0499 0.0598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2601 1.1150 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 0.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2999 0.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6698 0.0549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1298 0.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0499 0.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3608 -1.1748 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 13 1 1 1 0 0 0 2 3 2 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 13 11 1 6 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00063047 > F > 93890 > S > T4879 > - > - $$$$ 18 18 0 0 1 0 0 0 0 0 1 V2000 5.9271 -6.7829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3396 -6.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9271 -5.3533 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3396 -4.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9271 -3.9238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1649 -4.6400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1021 -6.7829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6894 -7.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1021 -8.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9271 -8.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3396 -7.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6894 -8.9286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5774 -3.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4024 -3.9238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -5.3458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -4.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -5.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -4.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 1 11 1 0 0 0 0 9 12 1 0 0 0 0 6 13 1 0 0 0 0 13 14 1 0 0 0 0 3 15 1 6 0 0 0 1 2 1 0 0 0 0 15 16 1 0 0 0 0 2 3 1 0 0 0 0 16 17 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 1 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 16 18 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00002389 > F > 01530 > - > - > - > - $$$$ 17 17 0 0 1 0 0 0 0 0 1 V2000 0.3019 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3019 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0164 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0164 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7309 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5559 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5559 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2703 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4453 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4453 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2703 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6589 -0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 1 3 1 0 0 0 3 4 2 0 0 0 3 5 1 0 0 0 1 6 1 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 7 1 0 0 0 10 13 1 0 0 0 5 14 1 0 0 0 14 15 1 0 0 0 14 16 1 0 0 0 14 17 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00042644 > F > 93902 > S > T1128 > - > - $$$$ 16 15 0 0 1 0 0 0 0 0 1 V2000 9.3167 -6.3417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 -6.3375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1903 -6.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9048 -6.4264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6192 -6.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3337 -6.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9215 -5.4370 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6192 -7.6611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4758 -6.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4758 -5.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7614 -5.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0469 -5.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0469 -6.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7614 -6.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3349 -5.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0458 -6.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 5 8 2 0 0 0 0 4 7 1 6 0 0 0 3 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 9 1 0 0 0 0 12 15 1 0 0 0 0 6 16 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248357 > MFCD00012607 > A > 850489 > F > 93930 > - > - $$$$ 27 28 0 0 1 0 0 0 0 0 1 V2000 1.2708 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -2.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -2.8208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6958 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -3.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -1.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -1.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 -1.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 -5.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6083 -4.8542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2583 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1792 -4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -2.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1667 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5458 -3.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 -5.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 -1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3250 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1917 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0167 -5.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6083 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8792 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3250 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5917 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3167 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 6 0 0 0 4 3 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 4 2 0 0 0 0 8 1 1 0 0 0 0 9 12 1 0 0 0 0 10 9 1 0 0 0 0 11 5 1 0 0 0 0 12 18 1 0 0 0 0 13 4 1 0 0 0 0 14 8 1 0 0 0 0 15 11 2 0 0 0 0 16 11 1 0 0 0 0 17 15 1 0 0 0 0 18 16 2