25 26 0 0 1 0 0 0 0 0 1 V2000 4.5833 -5.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4125 -5.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1708 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1708 -5.8417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4125 -3.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 -4.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 -5.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -4.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5833 -3.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 -3.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8958 -3.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5833 -6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 -5.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 -7.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3083 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3083 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8625 -7.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1375 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1375 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8625 -5.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5500 -3.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 3 2 0 0 0 0 7 4 2 0 0 0 0 5 8 1 1 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 8 1 0 0 0 0 12 9 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 5 1 0 0 0 0 16 13 2 0 0 0 0 17 13 1 0 0 0 0 18 14 2 0 0 0 0 19 14 1 0 0 0 0 20 17 2 0 0 0 0 21 18 1 0 0 0 0 22 19 2 0 0 0 0 23 16 1 0 0 0 0 24 20 1 0 0 0 0 25 22 1 0 0 0 0 24 23 2 0 0 0 0 25 21 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248272 > MFCD00077042 > A > 533114 > - > - > - > - $$$$ 17 17 0 0 1 0 0 0 0 0 1 V2000 2.8542 -6.8407 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5686 -6.4282 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0702 -5.4989 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1397 -6.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2884 -6.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2884 -7.7316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0702 -4.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3557 -4.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3557 -3.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6413 -3.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9268 -3.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9268 -4.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6413 -4.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7822 -4.2628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9298 -7.6537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0028 -6.4970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7148 -6.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 5 6 2 0 0 0 0 5 2 1 0 0 0 0 2 3 1 6 0 0 0 7 3 1 0 0 0 0 8 7 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 7 14 2 0 0 0 0 1 15 1 6 0 0 0 5 16 1 0 0 0 0 2 1 1 0 0 0 0 16 17 1 0 0 0 0 G 16 5 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 16 17 M SBL 1 1 15 M SDI 1 4 4.8600 -6.8100 4.6500 -6.4500 M SMT 1 OCH3 M SBV 1 15 -0.7200 -0.4100 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248272 > MFCD00010394 > A > 281107 > - > - > - > - $$$$ 16 16 0 0 1 0 0 0 0 0 1 V2000 5.6769 -4.9321 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5621 -5.4654 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5179 -6.3546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9291 -5.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2819 -4.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9963 -5.3967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2819 -4.1620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6791 -3.9339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7257 -6.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7440 -7.6210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9777 -6.2780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0047 -8.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0226 -8.9221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7771 -9.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5152 -8.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4937 -8.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 9 1 0 0 0 0 2 1 1 0 0 0 0 9 10 1 0 0 0 0 1 4 1 0 0 0 0 9 11 2 0 0 0 0 6 5 1 0 0 0 0 10 12 2 0 0 0 0 5 7 2 0 0 0 0 12 13 1 0 0 0 0 5 2 1 0 0 0 0 13 14 2 0 0 0 0 2 3 1 1 0 0 0 14 15 1 0 0 0 0 1 8 1 1 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248272 > MFCD00004525 > A > 281093 > - > - > - > - $$$$ 16 15 0 0 1 0 0 0 0 0 1 V2000 -0.0000 1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 1.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.3553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 2.4150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 1.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.4150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0137 -1.2918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6984 -1.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2873 -2.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1095 -0.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4104 -2.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0137 -0.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6984 -0.0584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 1.1817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 1 2 5 2 0 3 6 1 0 3 7 1 1 4 13 1 0 8 9 1 0 9 10 1 0 9 11 1 0 9 12 1 0 13 14 2 0 8 13 1 0 2 15 1 0 15 16 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 8 9 10 11 12 13 14 M SBL 1 1 7 M SMT 1 Boc M SBV 1 7 0.0136 0.8249 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 15 16 M SBL 2 1 14 M SMT 2 OCH3 M SBV 2 14 -0.7121 0.4111 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248272 > MFCD00270479 > A > 465658 > - > - > - > - $$$$ 29 31 0 0 1 0 0 0 0 0 1 V2000 8.0917 -5.9500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5083 -5.5333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6167 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -5.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -5.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3750 -5.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6625 -5.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 -5.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0917 -6.7792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2292 -5.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8250 -7.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9458 -5.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6625 -6.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5208 -5.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8250 -7.9000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8042 -4.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -5.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -7.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6500 -7.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8250 -8.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1458 -6.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -3.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -3.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7083 -6.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5125 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 1 0 0 0 0 3 6 2 0 0 0 0 4 5 2 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 1 7 1 6 0 0 0 8 7 1 0 0 0 0 9 1 1 0 0 0 0 10 1 1 0 0 0 0 11 13 1 0 0 0 0 10 12 1 6 0 0 0 13 8 1 0 0 0 0 14 8 2 0 0 0 0 15 9 2 0 0 0 0 16 12 1 0 0 0 0 17 9 1 0 0 0 0 18 4 1 0 0 0 0 19 3 1 0 0 0 0 20 6 1 0 0 0 0 21 5 1 0 0 0 0 22 16 1 0 0 0 0 23 16 1 0 0 0 0 24 16 1 0 0 0 0 25 18 2 0 0 0 0 26 20 2 0 0 0 0 27 26 1 0 0 0 0 28 21 2 0 0 0 0 4 3 1 0 0 0 0 28 25 1 0 0 0 0 19 27 2 0 0 0 0 10 29 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248272 > MFCD00077075 > A > 535184 > F > 47622 > - > - $$$$ 29 31 0 0 0 0 0 0 0 0 1 V2000 -1.7270 1.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5789 1.5662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8422 0.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1530 0.2553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4638 0.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6486 0.4940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2286 2.2522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1530 -0.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4186 -1.0166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8873 -1.0166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6573 0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0738 0.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8873 -1.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1762 -2.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5985 -2.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6018 -1.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7914 0.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5028 0.9340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4966 1.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7791 2.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0677 1.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2048 2.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9189 1.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 0.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2136 0.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2197 -0.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9372 -0.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6486 -0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6425 0.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 1 1 0 0 0 3 6 2 0 0 0 1 7 2 0 0 0 4 8 1 0 0 0 8 9 2 0 0 0 8 10 1 0 0 0 5 11 1 0 0 0 11 12 1 0 0 0 10 13 1 0 0 0 13 14 1 0 0 0 13 15 1 0 0 0 13 16 1 0 0 0 12 17 2 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 21 12 1 0 0 0 19 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 25 26 1 0 0 0 26 27 2 0 0 0 27 28 1 0 0 0 28 29 2 0 0 0 29 24 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248272 > F______15417 > F > 15417 > - > - > - > - $$$$ 25 26 0 0 1 0 0 0 0 0 1 V2000 1.2125 -0.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -0.0453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9576 -0.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -1.3149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2924 -0.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1757 -1.0840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0743 -1.0840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 0.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2164 -0.0453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9309 0.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6454 -0.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3599 0.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0743 -0.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0743 -0.8703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3599 -1.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6454 -0.8703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 1.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 -0.4578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2111 0.0817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4991 0.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9102 1.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0881 -0.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2129 0.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9231 0.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9231 1.3149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 2 1 0 0 0 3 6 2 0 0 0 5 7 2 0 0 0 8 1 1 0 0 0 9 8 1 0 0 0 10 9 1 0 0 0 11 10 1 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 16 11 2 0 0 0 8 17 1 6 0 0 1 18 1 1 0 0 2 24 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 20 22 1 0 0 0 20 23 1 0 0 0 24 25 2 0 0 0 19 24 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 19 20 21 22 23 24 25 M SBL 1 1 20 M SMT 1 Boc M SBV 1 20 -7.0659 5.5631 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248272 > MFCD00216676 > F > 15416 > - > - > - > - $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 0.5442 1.1650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2808 1.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5357 0.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1317 -0.1045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7992 0.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5801 0.1266 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3167 0.1266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1317 -0.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5828 -1.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5828 -2.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1317 -2.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8462 -2.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8462 -1.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7635 1.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5801 1.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4295 2.5795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 1 1 0 0 0 5 6 2 0 0 0 3 7 2 0 0 0 4 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 8 1 0 0 0 14 15 1 0 0 0 14 16 1 0 0 0 2 14 1 6 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248272 > F______99155 > F > 99155 > - > - > - > - $$$$ 40 43 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 2 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 8.8250 -7.0708 0.0000 O 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 8.8250 -7.9000 0.0000 C 0 0 3 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 8.0000 -7.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6500 -7.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8250 -8.7250 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 7.5125 -7.0875 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 13 8 1 0 0 0 0 14 8 2 0 0 0 0 15 9 2 0 0 0 0 16 12 1 0 0 0 0 17 9 1 0 0 0 0 18 4 1 0 0 0 0 19 3 1 0 0 0 0 20 6 1 0 0 0 0 21 5 1 0 0 0 0 22 16 1 0 0 0 0 23 16 1 0 0 0 0 24 16 1 0 0 0 0 25 18 2 0 0 0 0 26 20 2 0 0 0 0 27 26 1 0 0 0 0 28 21 2 0 0 0 0 4 3 1 0 0 0 0 28 25 1 0 0 0 0 19 27 2 0 0 0 0 10 29 1 0 0 0 0 2 11 1 0 0 0 0 17 30 1 0 0 0 0 3 6 2 0 0 0 0 30 31 2 0 0 0 0 4 5 2 0 0 0 0 31 32 1 0 0 0 0 5 2 1 0 0 0 0 32 33 2 0 0 0 0 6 2 1 0 0 0 0 33 34 1 0 0 0 0 1 7 1 6 0 0 0 34 35 2 0 0 0 0 35 30 1 0 0 0 0 8 7 1 0 0 0 0 35 36 1 0 0 0 0 9 1 1 0 0 0 0 31 37 1 0 0 0 0 10 1 1 0 0 0 0 32 38 1 0 0 0 0 11 13 1 0 0 0 0 33 39 1 0 0 0 0 10 12 1 6 0 0 0 34 40 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248272 > MFCD00077076 > F > 00224 > - > - > - > - $$$$ 36 39 0 0 1 0 0 0 0 0 1 V2000 3.8181 -6.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2296 -5.4068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8171 -4.6905 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2296 -3.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8171 -3.2608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0590 -3.9728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9910 -4.6892 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2313 -6.8368 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 4.6482 -7.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9515 -6.4182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5113 -7.2511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4732 -7.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8842 -6.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7064 -6.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1174 -6.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7033 -5.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8741 -5.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4668 -6.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0546 -5.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7865 -8.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5907 -8.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0018 -7.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4517 -7.2666 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7005 -7.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0506 -7.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7158 -7.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6299 -8.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1213 -8.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0018 -9.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8241 -9.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2352 -8.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8241 -7.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6226 -6.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4046 -6.2082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5756 -5.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9645 -4.8538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 5 2 0 0 0 0 15 16 2 0 0 0 0 4 6 1 0 0 0 0 16 17 1 0 0 0 0 3 7 1 6 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 1 8 1 0 0 0 0 2 19 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 7 35 1 0 0 0 0 9 12 1 0 0 0 0 2 1 1 1 0 0 0 12 13 1 0 0 0 0 2 3 1 0 0 0 0 13 14 2 0 0 0 0 3 4 1 0 0 0 0 14 15 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 13 M SMT 1 Fmoc M SBV 1 13 0.4100 0.7200 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248272 > MFCD00797870 > F > 09771 > - > - > - > - $$$$ 18 18 0 0 1 0 0 0 0 0 1 V2000 1.6083 -0.9625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7833 -0.9583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3708 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 0.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 0.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4542 -0.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -1.6750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8458 -0.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8375 -1.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6875 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0917 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9167 1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9208 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3333 0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 6 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 2 0 0 0 0 6 4 2 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 8 11 1 6 0 0 0 12 10 1 0 0 0 0 13 8 1 0 0 0 0 14 12 1 0 0 0 0 15 12 2 0 0 0 0 16 15 1 0 0 0 0 17 14 2 0 0 0 0 18 17 1 0 0 0 0 18 16 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248272 > MFCD00038587 > F > 97232 > - > - > - > - $$$$ 12 11 0 0 1 0 0 0 0 0 1 V2000 0.0424 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0424 0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7544 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4664 0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1784 -0.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4664 1.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6695 -0.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3815 0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0935 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3815 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1784 0.6325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7544 -1.0291 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 4 6 2 0 0 0 2 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 3 12 1 1 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248272 > MFCD00037766 > F > 20644 > - > - > - > - $$$$ 21 20 0 0 1 0 0 0 0 0 1 V2000 4.8849 -7.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2974 -6.8079 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8849 -6.0917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2974 -5.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8849 -4.6663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1268 -5.3784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0547 -6.0948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1277 -6.8068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5377 -7.5207 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.8197 -7.9367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2605 -7.1008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9725 -7.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4386 -6.5931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0200 -7.1745 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4386 -7.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6014 -6.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6014 -7.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6444 -6.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4316 -7.6002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9578 -8.2393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6699 -8.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9 10 2 0 0 0 0 7 18 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 9 20 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 3 7 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 18 19 2 0 0 0 0 13 18 1 0 0 0 0 2 8 1 6 0 0 0 9 8 1 0 0 0 0 20 21 1 0 0 0 0 G 18 7 Boc G 11 9 OCH3 G 20 9 OCH3 M STY 3 1 SUP 2 SUP 3 SUP M SLB 3 1 1 2 2 3 3 M SAL 1 7 13 14 15 16 17 18 19 M SBL 1 1 2 M SMT 1 Boc M SBV 1 2 0.4100 0.7100 M SAL 2 2 11 12 M SBL 2 1 3 M SMT 2 OCH3 M SBV 2 3 -0.7200 -0.4100 M SAL 3 2 20 21 M SBL 3 1 5 M SMT 3 OCH3 M SBV 3 5 -0.4200 0.7200 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248272 > MFCD00671680 > F > 03579 > - > - > - > - $$$$ 30 27 0 0 1 0 0 0 0 0 1 V2000 0.7292 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 -2.3167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6417 -2.2625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4125 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -1.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -1.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -0.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -3.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -3.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -1.0500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1042 -0.9917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9417 -2.7625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1417 -2.7042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7833 -2.3417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -2.1792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -4.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -4.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 -2.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8000 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 1 2 0 0 0 0 10 2 2 0 0 0 0 11 5 2 0 0 0 0 12 6 2 0 0 0 0 13 7 1 0 0 0 0 14 8 1 0 0 0 0 15 3 1 0 0 0 0 16 4 1 0 0 0 0 3 17 1 6 0 0 0 4 18 1 6 0 0 0 19 6 1 0 0 0 0 20 5 1 0 0 0 0 15 21 1 6 0 0 0 16 22 1 6 0 0 0 23 13 1 0 0 0 0 24 13 1 0 0 0 0 25 13 1 0 0 0 0 26 14 1 0 0 0 0 27 14 1 0 0 0 0 28 14 1 0 0 0 0 29 15 1 0 0 0 0 30 16 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248272 > MFCD00210107 > F > 89205 > - > - > - > - $$$$ 35 35 0 0 1 0 0 0 0 0 1 V2000 1.9260 -2.9895 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7405 -2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0331 -2.0900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2596 -3.4960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6332 -3.7579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8215 -3.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9928 -4.3382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4413 -2.3034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6444 -2.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -1.9356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4316 -3.3112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7312 -2.1484 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3126 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7312 -2.9734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4457 -2.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0991 -0.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6824 -0.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4793 -0.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6928 -1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1095 -1.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4378 -1.4058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8489 -0.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5353 0.5947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1167 1.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2788 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2788 -0.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9933 -1.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7078 -0.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7078 0.1900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9933 0.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4199 0.6012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8999 -4.2791 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0881 -4.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7691 -3.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7116 -4.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12 15 1 0 0 0 0 13 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 20 13 1 0 0 0 0 19 21 1 0 0 0 0 17 23 1 0 0 0 0 2 4 1 0 0 0 0 1 5 1 0 0 0 0 21 22 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 6 0 0 0 23 24 1 0 0 0 0 1 8 1 6 0 0 0 7 32 1 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 25 26 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 25 1 0 0 0 0 29 31 1 0 0 0 0 9 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 G 32 7 t-Bu M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 32 33 34 35 M SBL 1 1 17 M SMT 1 t-Bu M SBV 1 17 -0.9000 -0.0600 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248272 > MFCD03095450 > F > 91833 > - > - > - > - $$$$ 35 36 0 0 1 0 0 0 0 0 1 V2000 3.4292 -8.1417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4875 -9.7375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -10.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -7.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -7.2792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1125 -5.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8333 -9.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -6.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9583 -4.2625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -11.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6333 -5.2542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1208 -8.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -12.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9583 -2.7250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2917 -5.0292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9500 -14.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2375 -6.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -15.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6375 -4.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2917 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2917 -6.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 -16.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 -16.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2917 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6375 -7.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9708 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9708 -6.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -17.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9583 0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 5 6 1 1 0 0 0 7 3 2 0 0 0 0 8 4 2 0 0 0 0 10 3 1 0 0 0 0 11 6 1 0 0 0 0 12 4 1 0 0 0 0 13 10 1 0 0 0 0 14 9 1 0 0 0 0 15 9 1 0 0 0 0 16 13 1 0 0 0 0 17 5 1 0 0 0 0 18 11 1 0 0 0 0 19 11 1 0 0 0 0 20 11 1 0 0 0 0 21 16 2 0 0 0 0 22 16 1 0 0 0 0 23 15 1 0 0 0 0 24 14 1 0 0 0 0 25 14 1 0 0 0 0 26 15 1 0 0 0 0 27 22 2 0 0 0 0 28 21 1 0 0 0 0 29 24 1 0 0 0 0 30 26 1 0 0 0 0 31 23 1 0 0 0 0 32 25 1 0 0 0 0 33 30 1 0 0 0 0 34 27 1 0 0 0 0 35 32 1 0 0 0 0 34 28 2 0 0 0 0 33 31 1 0 0 0 0 35 29 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248272 > MFCD00077043 > F > 96040 > - > - > - > - $$$$ 19 19 0 0 1 0 0 0 0 0 1 V2000 3.1201 -4.2441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8345 -3.8316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5490 -4.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2470 -3.1171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2470 -2.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9615 -1.8796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6760 -2.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5351 -1.8811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3905 -1.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1049 -2.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8194 -1.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8194 -1.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1049 -0.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3905 -1.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5490 -5.0663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4056 -3.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0868 -4.8711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2635 -3.8316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9755 -4.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 2 4 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 5 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 9 1 0 0 0 0 3 15 2 0 0 0 0 1 16 1 0 0 0 0 1 17 1 6 0 0 0 3 18 1 0 0 0 0 2 1 1 0 0 0 0 18 19 1 0 0 0 0 G 18 3 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 18 19 M SBL 1 1 17 M SDI 1 4 5.1200 -4.1400 4.9100 -3.7800 M SMT 1 OCH3 M SBV 1 17 -0.7200 -0.4200 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248272 > MFCD00038585 > A > 408581 > F > 97234 > - > - $$$$ 32 35 0 0 1 0 0 0 0 0 1 V2000 3.1742 -9.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3117 -8.6859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6783 -8.1572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8158 -7.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1783 -6.8233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -7.0603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9106 -8.4434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0833 -8.4023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2214 -7.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0026 -7.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6332 -7.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4002 -7.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5462 -6.7361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9129 -6.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -6.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0147 -12.2770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7896 -12.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2007 -11.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6505 -11.1249 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1006 -11.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8518 -11.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 -11.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 -12.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6799 -12.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2007 -13.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0229 -13.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4340 -12.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0229 -11.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8215 -10.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6034 -10.0665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7744 -9.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1634 -8.7121 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 3 7 1 6 0 0 0 2 8 1 6 0 0 0 8 9 1 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 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 10 15 1 0 0 0 0 7 31 1 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 1 0 0 0 0 16 20 2 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 2 0 0 0 0 16 24 1 0 0 0 0 17 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 18 28 1 0 0 0 0 19 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 G 31 7 Fmoc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 M SAL 1 2 31 32 M SBL 1 1 16 M SMT 1 Fmoc M SBV 1 16 0.1300 0.8100 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248272 > MFCD00077073 > F > 47513 > - > - > - > - $$$$ 20 18 0 0 1 0 0 0 0 0 1 V2000 4.7330 -7.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1455 -6.5501 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7330 -5.8339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1455 -5.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7330 -4.4044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9707 -5.1206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0570 -5.8078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9255 -6.5251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5269 -5.0790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5269 -5.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8148 -6.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2389 -6.3123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3666 -4.3414 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0787 -4.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9555 -5.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6545 -3.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3005 -7.3376 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8894 -8.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5884 -6.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7116 -6.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 3 7 1 6 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 2 8 1 6 0 0 0 6 13 1 0 0 0 0 8 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 G 13 6 t-Bu G 9 0 AcOH G 17 8 t-Bu M STY 3 1 SUP 2 SUP 3 SUP M SLB 3 1 1 2 2 3 3 M SAL 1 4 13 14 15 16 M SBL 1 1 14 M SMT 1 t-Bu M SBV 1 14 -0.4000 -0.7800 M SAL 2 4 9 10 11 12 M SDI 2 4 1.3700 -6.8800 1.3700 -4.6000 M SMT 2 AcOH M SAL 3 4 17 18 19 20 M SBL 3 1 15 M SMT 3 t-Bu M SBV 3 15 -0.3800 0.8100 M SDS EXP 1 2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248272 > MFCD00145051 > F > 20646 > - > - > - > - $$$$ 18 18 0 0 1 0 0 0 0 0 1 V2000 5.1042 -1.3500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3917 -0.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6708 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -2.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -0.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -0.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -2.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5417 -1.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2333 -1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -2.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5208 -0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8333 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0833 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 -0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 2 0 0 0 0 6 4 2 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 8 11 1 6 0 0 0 12 10 1 0 0 0 0 13 8 1 0 0 0 0 14 12 1 0 0 0 0 15 12 2 0 0 0 0 16 14 2 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 18 17 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248272 > MFCD00037808 > F > 97225 > - > - > - > - $$$$ 25 27 0 0 1 0 0 0 0 0 1 V2000 6.6542 -6.7625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8792 -0.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1667 -9.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -9.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 -7.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -7.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -2.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 -4.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -2.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 1.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 0.2750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6667 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -10.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0875 -10.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3667 -7.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -7.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 1.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -8.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -9.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6417 -10.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2792 -8.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 1 0 0 0 3 6 2 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 8 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 0 0 0 0 10 1 1 0 0 0 0 11 10 1 0 0 0 0 12 8 2 0 0 0 0 13 9 2 0 0 0 0 14 2 1 0 0 0 0 15 9 1 0 0 0 0 16 4 1 0 0 0 0 17 3 1 0 0 0 0 18 6 1 0 0 0 0 19 5 1 0 0 0 0 14 20 1 1 0 0 0 21 14 1 0 0 0 0 22 19 2 0 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 25 18 2 0 0 0 0 3 4 1 0 0 0 0 24 17 2 0 0 0 0 16 23 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248272 > MFCD00792901 > F > 47602 > - > - > - > - $$$$ 14 12 0 0 1 0 0 0 0 0 1 V2000 2.6083 -0.5250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0250 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8375 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 0.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -1.9542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7833 -0.5208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8458 0.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2083 -0.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 -1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -2.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6583 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 3 4 1 6 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 1 7 1 6 0 0 0 8 2 1 0 0 0 0 10 3 1 0 0 0 0 11 6 1 0 0 0 0 12 6 1 0 0 0 0 13 6 1 0 0 0 0 14 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248272 > MFCD00077111 > F > 81655 > - > - > - > - $$$$ 22 22 0 0 1 0 0 0 0 0 1 V2000 3.0542 -0.8958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6250 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -1.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 -1.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6208 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7708 -1.3042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3333 0.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -0.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1958 -0.9125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7625 0.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1958 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9083 -0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2167 -1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6083 -0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3375 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6208 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3375 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 1 3 1 1 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 2 0 0 0 0 7 1 1 0 0 0 0 8 4 2 0 0 0 0 7 9 1 1 0 0 0 10 5 1 0 0 0 0 11 4 1 0 0 0 0 12 9 1 0 0 0 0 13 12 1 0 0 0 0 14 10 1 0 0 0 0 15 10 1 0 0 0 0 16 10 1 0 0 0 0 17 7 1 0 0 0 0 18 13 2 0 0 0 0 19 13 1 0 0 0 0 20 18 1 0 0 0 0 21 19 2 0 0 0 0 22 21 1 0 0 0 0 22 20 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248272 > MFCD00038247 > F > 15081 > - > - > - > - $$$$ 29 30 0 0 1 0 0 0 0 0 1 V2000 2.9704 -5.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3829 -4.3349 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9704 -3.6187 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3829 -2.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9704 -2.1891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2082 -2.9054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1027 -3.6302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2632 -4.3380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6207 -2.1918 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4372 -2.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5603 -1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8154 -0.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2310 -1.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4145 -1.3467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0245 -2.6359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8643 -4.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4523 -5.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8623 -5.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6887 -5.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0970 -5.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3451 -2.5368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9265 -3.1182 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3451 -3.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5079 -2.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5079 -3.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5508 -2.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 -3.5438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13 14 2 0 0 0 0 10 15 2 0 0 0 0 7 28 1 0 0 0 0 1 2 1 0 0 0 0 16 17 2 0 0 0 0 2 3 1 0 0 0 0 17 18 1 0 0 0 0 3 4 1 0 0 0 0 18 19 2 0 0 0 0 4 5 2 0 0 0 0 19 20 1 0 0 0 0 4 6 1 0 0 0 0 20 21 2 0 0 0 0 21 16 1 0 0 0 0 3 7 1 6 0 0 0 18 22 1 0 0 0 0 8 22 1 0 0 0 0 2 8 1 6 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 9 13 1 0 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 3 M SMT 1 Boc M SBV 1 3 0.5500 -0.8800 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248272 > MFCD00037905 > F > 15082 > - > - > - > - $$$$ 32 34 0 0 1 0 0 0 0 0 1 V2000 5.4892 -7.9672 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9017 -8.6816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6604 -7.9672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9017 -7.2569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7296 -8.6816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1423 -9.3918 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 5.4892 -6.5425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7296 -7.2569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4892 -9.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5588 -10.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4248 -9.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8631 -8.9751 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1510 -9.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4520 -8.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5752 -8.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5688 -8.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5688 -7.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7868 -7.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3035 -7.9676 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7868 -8.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6158 -9.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2269 -9.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0088 -9.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1798 -8.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1798 -7.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0088 -6.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2269 -5.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6158 -6.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4813 -7.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0701 -8.6797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2479 -8.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8368 -9.3918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 8 1 0 0 0 0 2 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 3 31 1 0 0 0 0 1 2 1 0 0 0 0 1 3 1 6 0 0 0 1 4 1 0 0 0 0 2 5 1 6 0 0 0 5 6 1 0 0 0 0 4 7 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 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 1 0 0 0 0 16 20 2 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 2 0 0 0 0 16 24 1 0 0 0 0 17 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 18 28 1 0 0 0 0 19 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 G 12 6 t-Bu G 31 3 Fmoc M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 4 12 13 14 15 M SBL 1 1 5 M SMT 1 t-Bu M SBV 1 5 -0.7200 -0.4200 M SAL 2 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 M SAL 2 2 31 32 M SBL 2 1 6 M SMT 2 Fmoc M SBV 2 6 0.4100 0.7100 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248272 > MFCD02092976 > F > 22670 > - > - > - > - $$$$ 29 31 0 0 1 0 0 0 0 0 1 V2000 5.0280 -7.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4405 -7.1104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0280 -6.3942 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4405 -5.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0280 -4.9644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2657 -5.6806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2103 -6.4035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2707 -7.1198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7686 -7.9325 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3311 -7.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1457 -8.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2978 -8.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8929 -3.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2819 -3.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5698 -3.7689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7408 -4.5731 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5585 -4.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0418 -5.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8595 -5.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1939 -4.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7106 -3.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2819 -2.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5698 -2.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8577 -2.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8577 -3.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1906 -5.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3863 -5.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8362 -5.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0889 -6.4067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 1 0 0 0 8 9 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 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 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 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 13 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 13 21 1 0 0 0 0 14 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 15 25 1 0 0 0 0 16 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 G 28 7 Fmoc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 M SAL 1 2 28 29 M SBL 1 1 3 M SMT 1 Fmoc M SBV 1 3 0.3700 -0.7800 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248272 > MFCD00080292 > F > 47312 > - > - > - > - $$$$ 15 15 0 0 0 0 0 0 0 0 1 V2000 -0.4933 0.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1994 -0.1365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1259 -0.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8950 0.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1259 -0.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8396 0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3779 -0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8950 1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8396 -1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5533 -0.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8606 0.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3779 -1.1020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5533 -0.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8606 1.3508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5533 -0.1365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 3 5 2 0 0 0 3 6 1 0 0 0 4 7 1 0 0 0 4 8 1 0 0 0 5 9 1 0 0 0 6 10 2 0 0 0 7 11 1 0 0 0 7 12 1 0 0 0 9 13 2 0 0 0 10 13 1 0 0 0 11 14 2 0 0 0 11 15 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248272 > MFCD00235875 > S > B0402 > - > - > - > - $$$$ 19 18 0 0 1 0 0 0 0 0 1 V2000 2.9625 -1.8792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4250 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -2.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 -1.6125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5000 -1.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -3.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -2.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -1.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -0.8000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0167 -3.6500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9000 -1.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 1 5 1 1 0 0 0 5 6 1 1 0 0 0 7 2 1 0 0 0 0 8 2 2 0 0 0 0 9 4 2 0 0 0 0 10 6 1 0 0 0 0 11 7 1 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 10 1 0 0 0 0 15 10 1 0 0 0 0 16 10 1 0 0 0 0 17 11 1 0 0 0 0 18 11 1 0 0 0 0 19 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248272 > MFCD00151115 > F > 15433 > - > - > - > - $$$$ 9 8 0 0 1 0 0 0 0 0 1 V2000 4.4775 -4.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8900 -3.6495 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4775 -2.9333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8900 -2.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4775 -1.5038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7153 -2.2200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4889 -2.9364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6427 -3.6249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0613 -3.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 3 7 1 6 0 0 0 2 8 1 6 0 0 0 1 2 1 0 0 0 0 8 9 1 0 0 0 0 G 8 2 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 8 9 M SBL 1 1 6 M SMT 1 OCH3 M SBV 1 6 -0.7600 -0.0200 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248272 > MFCD00037767 > F > 69405 > S > M1630 > - > - $$$$ 8 7 0 0 1 0 0 0 0 0 1 V2000 -0.7145 0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0258 -1.0485 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.9894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6963 1.0485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 2 5 1 1 0 0 3 6 2 0 0 0 7 1 1 0 0 0 1 8 1 1 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248272 > MFCD00064270 > F > 89180 > S > T8441 > - > - $$$$ 8 7 0 0 1 0 0 0 0 0 1 V2000 -0.7145 0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0258 -1.0485 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.9894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6963 1.0485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 2 5 1 6 0 0 3 6 2 0 0 0 7 1 1 0 0 0 1 8 1 6 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248272 > MFCD00064269 > F > 89190 > S > T8250 > - > - $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -0.7132 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4252 0.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 1.0284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4252 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -1.0270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 6 1 4 1 0 2 5 1 0 2 6 1 1 5 7 2 0 5 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248272 > MFCD00063722 > F > 93713 > - > - > - > - $$$$ 10 8 0 0 1 0 0 0 0 0 1 V2000 -1.5381 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5381 -1.0313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8236 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8236 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2525 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9670 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2525 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4651 0.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2469 -0.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9670 0.8708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 1 3 1 0 0 0 3 4 2 0 0 0 1 5 1 0 0 0 5 6 1 0 0 0 5 7 1 0 0 0 3 8 1 0 0 0 8 9 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 8 9 M SBL 1 1 7 M SMT 1 OCH3 M SBV 1 7 -4.7483 3.0718 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248272 > MFCD00037677 > F > 89210 > S > T5898 > - > - $$$$ 14 13 0 0 1 0 0 0 0 0 1 V2000 6.2750 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2750 -6.5042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 -6.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5583 -5.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 -5.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -5.6750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9875 -7.7458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7042 -8.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 -6.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 -5.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2583 -6.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1208 -6.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2750 -8.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 6 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 7 8 1 6 0 0 0 9 3 1 0 0 0 0 10 9 1 0 0 0 0 11 6 1 0 0 0 0 12 6 1 0 0 0 0 13 6 1 0 0 0 0 14 7 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248272 > MFCD00065946 > A > 359718 > F > 15505 > - > - $$$$ 22 22 0 0 1 0 0 0 0 0 1 V2000 0.8827 0.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5972 0.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3092 0.4120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1682 0.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8827 -0.4144 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5972 1.6452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5438 0.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1682 1.6452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5438 2.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3688 2.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7813 2.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6063 2.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0188 2.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6063 1.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7813 1.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5948 -1.6477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3068 -2.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8957 -2.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7178 -1.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0188 -2.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5948 -0.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3068 -0.4145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 1 2 6 2 0 4 7 1 0 4 8 1 1 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 10 1 0 5 21 1 0 16 17 1 0 17 18 1 0 17 19 1 0 17 20 1 0 21 22 2 0 16 21 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 16 17 18 19 20 21 22 M SBL 1 1 16 M SMT 1 Boc M SBV 1 16 -0.7121 0.4111 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248272 > MFCD00066062 > A > 466697 > F > 15405 > - > - $$$$ 17 17 0 0 1 0 0 0 0 0 1 V2000 6.2750 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2750 -6.5042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 -6.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5583 -5.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 -5.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 -7.7458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7042 -8.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 -6.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 -5.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2750 -8.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1277 -5.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1302 -4.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4171 -4.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7011 -4.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7027 -5.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4163 -5.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7 3 1 0 0 0 0 7 8 1 6 0 0 0 9 3 1 0 0 0 0 10 9 1 0 0 0 0 11 7 1 0 0 0 0 6 12 1 0 0 0 0 2 1 1 0 0 0 0 12 13 2 0 0 0 0 3 2 1 6 0 0 0 13 14 1 0 0 0 0 4 1 1 0 0 0 0 14 15 2 0 0 0 0 5 1 2 0 0 0 0 15 16 1 0 0 0 0 6 4 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16248272 > MFCD00065948 > A > 408514 > F > 97230 > - > - $$$$