7 7 0 0 0 0 0 0 0 0 1 V2000 -0.0216 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8034 1.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2765 0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3909 -0.2237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0584 0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0584 0.0072 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3909 -1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 3 4 1 0 4 5 1 0 5 2 2 0 3 6 1 0 4 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD01632215 > A > 679739 > - > - > - > - $$$$ 16 18 0 0 0 0 0 0 0 0 1 V2000 3.5588 0.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0362 0.3512 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5294 0.6930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3568 1.2676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7569 1.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0362 -0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5540 -0.5477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6434 -0.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0434 -0.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 -1.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3434 -1.5960 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8288 -1.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6419 -0.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0551 -0.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8697 -0.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2711 -1.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 2 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 8 2 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > A_____681962 > A > 681962 > - > - > - > - $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.3255 1.2535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1505 1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4054 0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 -0.0160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0705 0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 -0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0235 -1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4054 -1.2535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 1 2 0 4 6 1 0 7 6 1 0 8 7 1 0 9 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00009819 > A > 272264 > - > - > - > - $$$$ 17 16 0 0 0 0 0 0 0 0 1 V2000 2.7917 -5.7792 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.7917 -4.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -6.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -5.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -5.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3333 -5.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -5.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 -6.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0042 -5.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -6.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7583 -5.2708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 -6.5417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9333 -5.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7333 -6.4667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 7 6 2 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 6 1 0 0 0 0 10 9 2 0 0 0 0 5 1 1 0 0 0 0 2 1 2 0 0 0 0 3 1 2 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 12 1 0 0 0 0 16 15 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00013162 > A > 197912 > F > 08225 > - > - $$$$ 17 19 0 0 0 0 0 0 0 0 1 V2000 1.0482 0.6027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7156 1.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4607 1.8723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6357 1.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3808 1.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0482 -0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3337 -0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3337 -1.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0482 -1.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7627 -1.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7627 -0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3337 0.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0482 1.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7627 0.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7627 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0482 -0.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3337 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 1 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 6 1 0 12 5 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00012323 > A > 316547 > - > - > - > - $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -0.7995 1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0578 0.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3925 -0.2246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 0.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0255 1.0432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0578 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 -1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 1 1 0 4 6 1 0 3 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00005294 > A > 136131 > - > - > - > - $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 0.3542 -0.2208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.3125 0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 1.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0208 0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -0.1458 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 5 3 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD01632218 > A > 568279 > - > - > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.2909 0.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1159 0.2134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0359 -0.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7004 -1.0556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3623 -0.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1933 0.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1418 1.6344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0127 0.7949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 -0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3623 -0.2736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9209 -1.6344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 3 4 1 0 4 5 1 0 2 5 2 0 1 6 1 0 6 7 1 0 6 8 2 0 3 9 1 0 9 10 1 0 9 11 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00005200 > F > 56757 > - > - > - > - $$$$ 21 18 0 0 0 0 0 0 0 0 1 V2000 7.9500 -7.4042 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.0042 -4.6917 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.5875 -5.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -6.3417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -5.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 -6.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0042 -3.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 -4.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1292 -7.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 -8.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7625 -7.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0042 -5.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8167 -4.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -3.8167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -7.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -4.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -7.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1375 -7.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 3 1 0 0 0 0 5 6 1 0 0 0 0 6 3 2 0 0 0 0 7 1 2 0 0 0 0 8 2 2 0 0 0 0 9 4 2 0 0 0 0 10 2 1 0 0 0 0 11 1 1 0 0 0 0 12 1 1 0 0 0 0 13 1 1 0 0 0 0 14 2 1 0 0 0 0 15 2 1 0 0 0 0 16 4 1 0 0 0 0 17 19 1 0 0 0 0 19 16 1 0 0 0 0 20 18 1 0 0 0 0 21 18 1 0 0 0 0 5 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00150816 > F > 53310 > - > - > - > - $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.1135 0.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3628 0.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6918 -0.3555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0279 0.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2885 0.9170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7558 -0.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9326 -0.9170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3628 0.4404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 1 1 0 4 6 1 0 6 7 1 0 6 8 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00003544 > A > 272000 > F > 56755 > - > - $$$$ 23 24 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.8068 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6318 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 2.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 2.9014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 2.9014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 2.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.8068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.8068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -2.9014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -2.9014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1385 -0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1385 -0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8390 0.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0098 0.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 2 1 0 1 7 2 0 1 8 2 0 1 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 12 15 1 0 15 16 1 0 15 17 1 0 14 18 1 0 18 19 1 0 10 20 1 0 20 21 1 0 20 22 1 0 18 23 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00005283 > A > 244236 > - > - > - > - $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.3255 1.2535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1505 1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4054 0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 -0.0160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0705 0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 -0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0235 -1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4054 -1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 1 2 0 4 6 1 0 7 6 1 0 8 7 1 0 9 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00042753 > A > 348414 > - > - > - > - $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.2473 -0.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5884 -0.9750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0874 -0.5018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1538 0.2871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9787 0.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4503 0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7358 -0.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4503 -0.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 5 1 2 0 5 4 1 0 5 6 1 0 3 7 1 0 7 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00005193 > F > 04360 > - > - > - > - $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.1213 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.1213 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.1133 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4681 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0202 -0.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6077 -1.1133 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8007 -0.9418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8007 -0.9418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6077 -1.1133 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0202 -0.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 3 2 1 0 2 4 2 0 1 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 1 1 0 3 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 3 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00005289 > A > 156051 > - > - > - > - $$$$ 23 26 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.8772 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 -0.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.3923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 -0.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3819 -0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3819 -0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3819 -1.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0964 -2.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8109 -1.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8109 -0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0964 -0.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 1.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 2.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5559 1.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5559 0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 0.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0964 -0.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8109 -0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8109 -1.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0964 -2.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3819 -1.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 2 6 1 0 5 7 1 0 4 8 1 0 6 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 6 1 0 8 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 8 1 0 7 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00005187 > F > 93048 > - > - > - > - $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -1.3818 -0.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7229 -0.6383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0471 -0.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2883 0.6239 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1132 0.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6673 -0.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3818 -0.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 5 1 2 0 5 4 1 0 6 3 1 0 7 6 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00005192 > A > 239348 > - > - > - > - $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 1.1759 -0.4169 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3539 -0.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7722 -1.6602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4168 -1.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1074 -1.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1218 0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2135 0.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9268 0.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2793 1.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4168 0.8323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0815 1.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 4 1 0 1 4 2 0 2 5 2 0 2 6 1 0 6 7 2 0 6 8 1 0 7 9 1 0 8 10 2 0 10 11 1 0 3 5 1 0 9 11 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00005197 > A > 144754 > F > 78726 > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 0.0208 0.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0208 -0.8167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4292 1.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3875 1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 -1.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -1.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4125 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1083 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 2 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 6 3 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00956331 > F > 36815 > - > - > - > - $$$$ 21 22 0 0 0 0 0 0 0 0 1 V2000 5.9099 -3.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3765 -2.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1966 -2.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5593 -3.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0927 -4.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2657 -4.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8002 -4.9717 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0447 -5.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3717 -6.2304 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.7177 -5.7398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9823 -4.9624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0207 -2.1011 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.3947 -3.7225 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4969 -4.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8304 -6.0274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3507 -7.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0585 -7.4949 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6254 -7.4522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0337 -8.3195 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7354 -8.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3071 -8.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 7 1 0 0 0 0 2 12 1 0 0 0 0 4 13 1 0 0 0 0 11 14 2 0 0 0 0 8 15 2 0 0 0 0 9 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 1 2 2 0 0 0 0 19 20 1 0 0 0 0 2 3 1 0 0 0 0 19 21 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00055353 > A > 559792 > - > - > - > - $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.6013 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4263 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 1.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 2.6958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 2.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 1.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.6013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.6013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.2237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.8737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 2 1 0 1 7 2 0 1 8 2 0 1 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 12 15 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00005285 > A > 244244 > F > 89812 > - > - $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.7500 0.0000 0.0000 Mn 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00016226 > F > 63561 > - > - > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 0.4125 1.8723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 1.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 1.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.2223 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 1 2 0 4 6 1 0 6 7 1 0 6 8 1 0 6 9 1 0 9 10 1 0 9 11 1 0 9 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00011682 > A > 250236 > - > - > - > - $$$$ 9 10 0 0 0 0 0 0 0 0 1 V2000 5.3750 -6.8792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.5792 -6.3750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1667 -7.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 -6.1625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9917 -6.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -5.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -7.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -6.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 6 4 1 0 0 0 0 4 2 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00151322 > A > 136255 > - > - > - > - $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -0.3135 1.8650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1384 1.8746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4026 1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7409 0.6004 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0678 1.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7409 -0.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0264 -0.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0264 -1.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6881 -1.8746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4026 -1.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4026 -0.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6881 -0.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 1 2 0 6 4 1 0 7 6 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00005296 > A > 116416 > - > - > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.3560 0.3400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0234 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7685 1.6095 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0565 1.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3114 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.8975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -0.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0526 -1.6095 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.3086 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7695 -0.1855 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 1 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 8 10 1 0 8 11 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 8 9 10 11 M SBL 1 1 8 M SMT 1 CF3 M SBV 1 8 -3.3233 3.0212 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00014501 > A > 346128 > - > - > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.4097 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4153 1.8708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6646 1.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 0.6017 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6617 1.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -0.2235 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8251 -0.2235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8251 -0.2235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -1.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 -1.0485 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -1.8708 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8223 -1.0485 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 3 4 1 0 4 5 1 0 2 5 2 0 4 6 1 0 6 7 2 0 6 8 2 0 6 9 1 0 9 10 1 0 9 11 1 0 9 12 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 9 M SMT 1 CF3 M SBV 1 9 -10.6660 8.7810 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00037891 > F > 91739 > - > - > - > - $$$$ 6 6 0 0 0 0 0 0 0 0 1 V2000 -0.3909 -0.6348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2765 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0216 0.6348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8034 0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0584 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0584 -0.4039 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 1 1 0 0 0 2 6 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00005188 > A > 284297 > F > 63758 > - > - $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 2.5811 1.3859 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1341 0.0394 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.8503 0.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6845 1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4152 0.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1341 -0.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4221 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 -0.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0021 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7141 -0.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4262 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1383 -0.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8503 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 4 5 2 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 G 6 2 (CH2)7CH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 8 6 7 8 9 10 11 12 13 M SBL 1 1 6 M SMT 1 (CH2)7CH3 M SBV 1 6 0.0000 1.0200 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00467256 > F > 75078 > - > - > - > - $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 5.9486 -5.7746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6017 -6.2245 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.0116 -4.9955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1951 -4.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2578 -5.7746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6017 -7.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1683 -6.0424 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5461 -5.5024 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0099 -6.8539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 5 2 0 0 0 0 1 7 1 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 M CHG 2 7 1 8 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00126968 > F > 94489 > - > - > - > - $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 0.7145 -1.0993 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3819 -0.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 0.1703 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 0.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -0.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 -1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3819 -0.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0964 -1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0964 -1.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3819 -2.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 -1.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1813 0.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0063 0.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2312 1.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1813 2.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0063 2.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4188 1.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0964 -1.0268 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 6 5 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 6 1 0 4 12 1 0 12 13 2 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 13 1 0 2 18 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00005189 > A > 127892 > F > 43085 > - > - $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -0.0243 0.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2769 -0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3920 -0.9660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 -0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8007 0.3048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5095 0.9660 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0580 -0.7395 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 1 1 0 1 6 1 0 2 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00005195 > A > 277363 > F > 35890 > - > - $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -0.0235 -0.0175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6439 0.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 1.2521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 0.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0235 -0.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 1 6 1 0 6 7 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00005297 > A > 235466 > F > 95005 > - > - $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 0.4283 0.0873 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6747 -0.6891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3882 0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0216 -1.1818 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6346 -0.6891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0501 0.9698 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8782 0.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5514 1.4768 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0359 -2.1301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0442 -1.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4511 -0.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2477 -1.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4511 -0.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0013 2.1301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 2 4 1 0 3 5 1 0 1 6 1 0 3 7 1 0 7 8 2 0 4 9 1 0 2 10 1 0 2 11 1 0 5 12 1 0 5 13 1 0 8 14 1 0 4 5 1 0 M CHG 2 1 1 6 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00074924 > F > 53928 > - > - > - > - $$$$ 6 6 0 0 0 0 0 0 0 0 1 V2000 0.5171 0.2950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1073 -0.9597 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7548 -0.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2879 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 -0.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7548 0.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 1 3 2 0 1 4 1 0 4 5 2 0 4 6 1 0 2 5 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00005201 > A > 199885 > F > 67580 > - > - $$$$ 6 6 0 0 0 0 0 0 0 0 1 V2000 -0.8007 0.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0243 0.6345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0556 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3911 -0.6345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2707 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0556 -0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 3 4 1 0 4 5 1 0 2 5 2 0 5 6 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00005190 > A > M50850 > F > 67570 > - > - $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 5.7534 -6.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4094 -7.3509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0684 -6.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0113 -6.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8105 -6.1190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5288 -5.4633 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7066 -5.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9412 -4.7491 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 4 5 1 0 0 0 0 3 5 2 0 0 0 0 4 6 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 G 6 4 NO2 M CHG 2 6 1 8 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 6 7 8 M SBL 1 1 4 M SDI 1 4 5.8500 -5.5500 5.5100 -5.8000 M SMT 1 NO2 M SBV 1 4 0.4800 -0.6500 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00005196 > A > 141615 > F > 73400 > - > - $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 5.4010 -6.9856 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7336 -6.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9968 -5.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8093 -5.7161 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0685 -6.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8581 -6.7568 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.0310 -7.5589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4705 -6.2026 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 5 6 1 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 G 6 5 NO2 M CHG 2 6 1 8 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 6 7 8 M SBL 1 1 4 M SDI 1 4 6.5200 -6.8600 6.6500 -6.4700 M SMT 1 NO2 M SBV 1 4 -0.7900 0.2500 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00005185 > A > 195650 > F > 73390 > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 5.6708 -5.4875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 -5.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -6.7625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9333 -6.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -4.8125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 -6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 -6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -5.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9125 -7.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7042 -7.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8875 -8.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 5 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 4 3 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00153932 > A > 556793 > - > - > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.8499 0.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3456 0.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1971 0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 0.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4803 0.6620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0801 -0.6620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5527 0.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1886 0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9423 -0.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8383 0.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5527 0.1016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 3 6 2 0 0 0 4 7 1 0 0 0 5 8 1 0 0 0 6 9 1 0 0 0 8 9 2 0 0 0 8 10 1 0 0 0 10 11 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00239516 > S > B8283 > - > - > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.6587 -0.8410 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9913 -0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2462 0.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0712 0.4285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3261 -0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5317 0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1827 0.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8972 0.8410 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6117 0.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3261 0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6117 -0.3965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 6 3 1 0 7 6 1 0 8 7 1 0 9 8 1 0 10 9 1 0 9 11 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00005209 > A > 858897 > - > - > - > - $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 0.1916 1.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8675 1.1351 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1916 2.5863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4257 1.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7510 1.6442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6919 0.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0723 1.6676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2150 -0.2750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5169 0.4037 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7510 1.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8353 -2.5863 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 4 6 2 0 0 0 4 7 1 0 0 0 6 8 1 0 0 0 6 9 1 0 0 0 7 10 1 0 0 0 9 10 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00058150 > S > A3384 > - > - > - > - $$$$ 12 11 0 0 0 0 0 0 0 0 1 V2000 -0.2801 0.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5285 0.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3535 0.8447 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6149 0.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9515 -0.4282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9584 -1.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 1.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9005 0.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6149 1.2503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9005 0.0157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1389 -1.1646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8534 -0.7521 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 1 1 0 0 0 5 6 1 0 0 0 7 2 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 8 10 2 0 0 0 11 12 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 11 12 M SMT 1 • HCl M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00036998 > S > M9265 > - > - > - > - $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 1.7828 -1.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5142 -0.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6893 -0.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4481 -1.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1239 -1.7015 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2768 0.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5482 0.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9607 0.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5496 1.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7828 0.9896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 1 1 0 3 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00005203 > A > 859796 > F > 56765 > - > - $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 7.1199 -8.8414 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -8.8333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2447 -7.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4967 -6.6455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3217 -6.6424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5795 -7.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9139 -7.9134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -5.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 3 1 0 0 0 0 1 2 1 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00012697 > A > 219908 > - > - > - > - $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 7.1199 -8.8414 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -8.8333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2447 -7.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4967 -6.6455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3217 -6.6424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5795 -7.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9139 -7.9134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -5.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8504 -6.6439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 3 1 0 0 0 0 1 2 1 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 3 4 2 0 0 0 0 9 11 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00012698 > A > 219991 > F > 56770 > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 6.2817 -6.4952 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.2817 -7.3202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9492 -6.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6858 -5.2173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8733 -5.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6143 -6.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7436 -6.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9920 -7.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9940 -8.5618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8273 -6.2657 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2189 -5.7103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6518 -7.0643 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 8 2 1 0 0 0 0 9 8 1 0 0 0 0 6 10 1 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 G 10 6 NO2 M CHG 2 10 1 12 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 10 11 12 M SBL 1 1 8 M SDI 1 4 5.0200 -5.9700 5.1500 -6.3700 M SMT 1 NO2 M SBV 1 8 0.7900 0.2600 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00009750 > F > 68035 > - > - > - > - $$$$ 6 6 0 0 0 0 0 0 0 0 1 V2000 0.5645 -0.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0953 -0.9742 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7702 -0.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5275 0.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2974 0.3016 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7702 0.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 1 1 0 0 0 5 6 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00005292 > A > 336092 > F > 67558 > - > - $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.2236 -0.0059 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4912 -0.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8317 -1.2820 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1565 -0.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3987 -0.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0952 0.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9973 0.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4912 1.2820 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 1 1 0 5 6 1 0 6 7 1 0 7 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00005210 > F > 53290 > - > - > - > - $$$$ 5 5 0 0 0 0 0 0 0 0 1 V2000 -0.4182 0.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 -0.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0035 -0.6363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 -0.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4068 0.6363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 1 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00005183 > 1 > I2399 > - > - > - > - $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.6911 0.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0237 0.2487 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6438 0.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3888 1.5182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4362 1.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6932 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -0.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 1 2 0 6 7 1 0 6 8 1 0 6 9 1 0 2 6 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00005280 > A > 153583 > - > - > - > - $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 6.2958 -5.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1208 -5.6833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7043 -6.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0074 -5.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9780 -5.0990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2748 -6.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4876 -6.5910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5263 -4.4289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9526 -6.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2404 -6.0758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9526 -7.3127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 3 1 0 0 0 0 4 8 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 3 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00012704 > A > 164968 > F > 08220 > - > - $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.0160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.2535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 2 8 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00005287 > A > 157864 > - > - > - > - $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 5.5554 -3.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5554 -4.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 -4.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5946 -4.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5946 -3.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 -3.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1124 -3.2656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0777 -3.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8886 -2.7452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2886 -2.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1069 -3.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5945 -3.6704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 8 1 0 0 0 0 1 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD07776867 > A > 666106 > - > - > - > - $$$$ 6 6 0 0 0 0 0 0 0 0 1 V2000 -0.5375 -0.2833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0599 0.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2417 0.6208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8292 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 0.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4458 -0.2292 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4 5 2 0 0 0 0 2 3 2 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 5 1 1 0 0 0 0 2 6 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD02179526 > A > 666521 > - > - > - > - $$$$ 19 21 0 0 0 0 0 0 0 0 1 V2000 3.6384 -0.7579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4526 -0.1874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8526 -0.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6676 -0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1532 -1.1109 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2092 -0.9429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3343 -1.5297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9051 -1.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3507 -1.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2255 -0.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6548 -0.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0971 -0.9444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6509 -0.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0804 -0.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9561 -1.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4023 -1.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9728 -1.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3856 -1.5018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0372 -1.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 1 5 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 6 11 2 0 0 0 0 1 6 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 12 17 2 0 0 0 0 15 18 1 0 0 0 0 4 12 1 0 0 0 0 1 2 2 0 0 0 0 18 19 1 0 0 0 0 G 18 15 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 18 19 M SBL 1 1 18 M SMT 1 OCH3 M SBV 1 18 0.5700 0.1900 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > A_____668109 > A > 668109 > - > - > - > - $$$$ 6 6 0 0 0 0 0 0 0 0 1 V2000 3.5435 -2.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0254 -2.3603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5102 -2.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3279 -1.4421 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7304 -1.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0681 -2.2226 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 1 2 1 0 0 0 0 3 6 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD02179530 > A > 666408 > - > - > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.8023 1.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0226 1.6527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0712 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.3907 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2635 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1245 -0.8453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2995 -0.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1245 -0.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2995 -1.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2995 -0.0232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 2 2 0 0 0 4 6 1 0 0 0 6 7 2 0 0 0 6 8 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD07784427 > A > 660353 > - > - > - > - $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 0.1176 0.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 1.4038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9768 1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2170 0.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5406 0.1268 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.5252 -0.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1969 -1.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9035 -0.6713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2124 -1.9220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4942 -2.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4814 2.0270 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.3035 2.0270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0701 2.7394 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5 1 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 3 11 1 0 0 0 0 7 9 1 0 0 0 0 1 2 2 0 0 0 0 9 10 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 G 11 3 NO2 M CHG 2 11 1 13 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 11 12 13 M SBL 1 1 5 M SMT 1 NO2 M SBV 1 5 0.5100 -0.6300 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00621268 > A > 649708 > - > - > - > - $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 -2.2046 1.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2046 0.8760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4901 0.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7756 0.8760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7756 1.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4901 2.1135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 0.6211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4939 1.2885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 1.9560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4215 -0.0934 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 0.3191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 -0.5059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8340 -0.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4984 -1.5615 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1115 -2.1135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -1.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6545 -0.8941 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2046 -0.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 7 10 1 0 10 11 2 0 10 12 2 0 10 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 13 1 0 17 18 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD05149026 > A > 647322 > - > - > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 2.2925 -6.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0521 -7.2458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9908 -3.6591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1653 -3.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9124 -4.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5795 -4.9279 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.2480 -4.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6814 -2.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9625 -4.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6770 -4.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5795 -5.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 -6.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 3 7 2 0 0 0 0 4 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 6 11 1 0 0 0 0 11 12 1 0 0 0 0 12 1 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00051492 > A > 643793 > - > - > - > - $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -0.3572 -0.2237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3102 0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0553 1.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7697 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0247 0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0247 -0.1513 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 3 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD02179525 > A > 639850 > - > - > - > - $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 0.6954 -0.6348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3628 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1079 0.6348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2829 0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0279 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3628 0.1443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 5 6 1 0 6 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00266718 > A > 576182 > - > - > - > - $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 1.1238 1.0454 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2983 1.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0454 0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.2233 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7121 -1.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 0.2607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 -0.9725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 1 5 2 0 4 6 1 0 3 7 1 0 7 8 1 0 7 9 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00030439 > A > 633569 > - > - > - > - $$$$ 6 6 0 0 0 0 0 0 0 0 1 V2000 0.0533 0.6344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7722 0.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -0.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 -0.6344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3106 -0.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -0.5615 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 1 5 2 0 5 6 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00159701 > A > 641081 > - > - > - > - $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.3808 -0.0160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3808 -0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2867 0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0317 1.2535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7933 1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0482 0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3337 -1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0482 -0.8410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 7 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00209980 > A > 576166 > - > - > - > - $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 -0.7045 -1.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7045 -0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4189 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1334 -0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1334 -1.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4189 -2.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0076 -0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6952 -0.8704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3413 -0.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0529 0.4156 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2287 0.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4789 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4789 1.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1933 2.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9078 1.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9078 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1933 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1334 -0.5777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 2 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 12 1 0 0 0 12 11 1 0 0 0 9 18 2 0 0 0 11 7 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00022393 > A > 632597 > - > - > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 0.3000 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5417 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -0.1458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.1625 1.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 0.0875 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 1.7500 -1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4208 0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 3 0 0 0 0 4 2 1 0 0 0 0 5 7 1 0 0 0 0 6 4 1 0 0 0 0 7 2 2 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 8 1 0 0 0 0 11 8 1 0 0 0 0 12 8 1 0 0 0 0 5 6 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD04039965 > A > 578029 > - > - > - > - $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.6006 -0.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0909 0.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -0.2272 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4256 0.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 1.0493 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3321 1.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4256 -0.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7811 -1.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 2 2 0 1 7 3 0 3 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD04974089 > A > 578711 > - > - > - > - $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 -0.1292 0.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2125 -0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9542 0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5417 -0.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9917 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4375 1.4417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.6042 0.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 -1.0667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 6 2 0 0 0 0 9 5 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 13 6 1 0 0 0 0 4 2 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD01934396 > A > 559881 > - > - > - > - $$$$ 17 17 0 0 0 0 0 0 0 0 1 V2000 -0.9175 0.3958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9175 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2501 0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 1.6653 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3300 1.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5850 0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2055 -0.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6295 -0.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5065 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2055 -1.6653 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5065 -1.2542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5065 0.3958 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.2055 -0.0153 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2184 -0.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8074 -1.5523 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5065 -0.4292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6295 -0.1283 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 2 8 2 0 7 9 1 0 7 10 1 0 9 11 1 0 9 12 1 0 7 13 1 0 9 14 1 0 14 15 1 0 14 16 1 0 14 17 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 14 15 16 17 M SBL 1 1 14 M SMT 1 CF3 M SBV 1 14 -4.9966 4.5394 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00014503 > A > 556645 > - > - > - > - $$$$ 9 9 0 0 0 1 V2000 -0.2483 -0.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0.1966 -1.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0.5862 1.0759 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6793 -0.0897 0.0000 N 0 0 0 0 0 0 0 0 0 -0.9690 -2.2862 0.0000 N 0 0 0 0 0 0 0 0 0 1.5276 -1.9621 0.0000 N 0 0 0 0 0 0 0 0 0 2.0172 0.9414 0.0000 N 0 0 0 0 0 0 0 0 0 0.0069 2.3793 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1207 -1.4862 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 3 8 2 0 0 0 4 9 2 0 0 0 5 9 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD02181040 > A > 552410 > - > - > - > - $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 0.0042 1.0167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.4042 2.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6667 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.2875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 4 2 0 0 0 0 8 4 1 0 0 0 0 9 12 1 0 0 0 0 10 9 1 0 0 0 0 11 7 1 0 0 0 0 12 8 2 0 0 0 0 6 2 1 0 0 0 0 9 11 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD01074865 > A > 444391 > - > - > - > - $$$$ 6 6 0 0 0 0 0 0 0 0 1 V2000 -0.4182 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0035 -0.2252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 0.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4068 1.0473 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0095 -1.0473 0.0000 Na 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 1 1 0 3 6 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00064314 > A > 197637 > F > 56772 > - > - $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 0.3909 -0.2237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0584 0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8034 1.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0216 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2765 0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0584 0.0072 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3909 -1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 5 6 1 0 1 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00014505 > A > 330205 > - > - > - > - $$$$ 8 8 0 0 0 1 V2000 -0.1690 -0.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0.1793 0.8138 0.0000 C 0 0 0 0 0 0 0 0 0 1.0448 -1.3207 0.0000 N 0 0 0 0 0 0 0 0 0 -1.4966 -1.1103 0.0000 C 0 0 0 0 0 0 0 0 0 1.6379 0.9000 0.0000 N 0 0 0 0 0 0 0 0 0 -0.7345 1.9207 0.0000 C 0 0 0 0 0 0 0 0 0 2.1552 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6276 -0.2310 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 4 8 2 0 0 0 5 7 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00173728 > A > 392154 > - > - > - > - $$$$ 12 10 0 0 0 0 0 0 0 0 1 V2000 0.4558 0.4040 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0491 -0.8165 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6993 -0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6013 -0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3578 0.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0723 0.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7868 0.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5012 0.8165 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5961 0.2836 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6762 -0.8165 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4211 0.2836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5012 -0.8165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 1 3 2 0 0 0 4 5 2 0 0 0 1 5 1 0 0 0 2 4 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 8 7 1 0 0 0 9 11 1 0 0 0 10 12 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SMT 1 • 2HCl M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00012703 > F > 53302 > - > - > - > - $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 7.6283 -6.6259 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 8.3427 -7.0384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2158 -5.9115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0408 -5.9115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9138 -7.0384 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3248 -7.7504 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.2018 -7.4495 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5027 -6.3265 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2497 -6.9525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9172 -6.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6622 -5.6830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8372 -5.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -6.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 2 1 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 9 1 0 0 0 0 G 5 1 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 5 6 7 8 M SBL 1 1 6 M SDI 1 4 7.0400 -6.7200 7.2500 -7.0700 M SMT 1 CF3 M SBV 1 6 0.7100 0.4100 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00035430 > A > 515876 > - > - > - > - $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 5.3718 -6.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6749 -5.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6455 -5.6456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9423 -6.5697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1551 -7.1376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6567 -6.9822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2644 -4.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5201 -4.9374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6572 -6.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8349 -6.9762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 4 6 1 0 0 0 0 2 7 1 0 0 0 0 1 9 1 0 0 0 0 1 2 2 0 0 0 0 7 8 3 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 9 10 3 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00129982 > A > 376744 > F > 94354 > - > - $$$$ 14 15 0 0 0 1 V2000 -0.6690 0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0517 0.0379 0.0000 N 0 0 3 0 0 0 0 0 0 0.0207 -1.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0.0207 1.2517 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7414 -1.1586 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9793 1.0828 0.0000 C 0 0 0 0 0 0 0 0 0 1.4034 -1.1586 0.0000 C 0 0 0 0 0 0 0 0 0 1.4034 1.2517 0.0000 C 0 0 0 0 0 0 0 0 0 -4.0931 -0.8724 0.0000 C 0 0 0 0 0 0 0 0 0 -4.2448 0.5103 0.0000 N 0 0 0 0 0 0 0 0 0 2.0966 0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 3.4793 0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 4.1690 1.2517 0.0000 O 0 0 0 0 0 0 0 0 0 4.1690 -1.1586 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 2 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 4 8 1 0 0 0 5 9 2 0 0 0 6 10 2 0 0 0 7 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 12 14 2 0 0 0 8 11 2 0 0 0 9 10 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00586645 > A > 476803 > - > - > - > - $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 -0.3977 0.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4273 0.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8414 0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4305 -0.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3945 -0.7160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8086 -0.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6307 -0.0043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6635 0.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0762 -0.7080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 0.7160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9012 -0.7080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1142 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8994 -0.4196 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9012 0.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1171 0.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 3 8 1 0 8 9 1 0 8 10 2 0 9 11 1 0 7 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00127080 > A > 476811 > - > - > - > - $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.2793 0.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0301 0.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 -0.3437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3649 0.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1043 0.9288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -0.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9151 -0.9288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3649 0.4223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 1 1 0 2 6 1 0 6 7 1 0 6 8 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00173726 > A > 456128 > - > - > - > - $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.6673 -0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3995 0.3532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4253 0.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6673 -0.4491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -0.9230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3818 -0.8396 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.0087 0.9230 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3818 -0.8616 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 1 1 0 1 6 1 0 3 7 1 0 4 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00067894 > A > 548723 > - > - > - > - $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 0.2758 0.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0168 1.0469 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8082 1.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 0.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3891 -0.2248 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3848 -1.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0590 0.0136 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 1 1 0 0 0 5 6 1 0 0 0 1 7 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00179321 > A > 301507 > F > 63760 > - > - $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -0.4118 -0.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9016 0.6581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6843 0.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6783 -0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8918 -0.6768 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4103 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8926 0.6696 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6808 0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6855 -0.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9019 -0.6521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3530 0.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3398 -0.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3530 -0.8741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3410 0.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 1 1 0 1 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 6 1 0 3 11 1 0 4 12 1 0 9 13 1 0 8 14 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00005202 > A > B43205 > - > - > - > - $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -0.4277 2.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6769 1.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 1.2164 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6579 1.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3973 2.4889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7166 -0.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7166 -0.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7166 -0.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7166 -0.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -2.4889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -2.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 1 1 0 3 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 6 1 0 9 12 1 0 12 13 2 0 12 14 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00005282 > A > 183733 > - > - > - > - $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -0.4277 2.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6769 1.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 1.0109 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6579 1.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3973 2.2834 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7166 -0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7166 -1.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7166 -1.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7166 -0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.2834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 1 1 0 3 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 6 1 0 9 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00005281 > A > 183725 > - > - > - > - $$$$ 13 14 0 0 0 1 V2000 0.0690 0.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0.0690 1.4103 0.0000 N 0 0 3 0 0 0 0 0 0 -0.9069 -0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 1.0276 -0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0.9966 2.0862 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8483 2.0586 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9069 -1.3966 0.0000 C 0 0 0 0 0 0 0 0 0 1.0586 -1.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0.6517 3.1552 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5034 3.1552 0.0000 N 0 0 0 0 0 0 0 0 0 0.0828 -1.9966 0.0000 C 0 0 0 0 0 0 0 0 0 0.0828 -3.1207 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8793 -3.6931 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 2 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 4 8 1 0 0 0 5 9 2 0 0 0 6 10 2 0 0 0 7 11 1 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 8 11 2 0 0 0 9 10 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00209977 > A > 444405 > - > - > - > - $$$$ 22 24 0 0 0 0 0 0 0 0 1 V2000 6.4584 -6.3208 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 6.4584 -7.1429 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.4584 -5.4987 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.7910 -7.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0459 -8.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8709 -8.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1258 -7.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6334 -6.3208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2834 -6.3208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.7683 -6.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5529 -6.7333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5529 -5.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7683 -5.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1258 -5.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8709 -4.2291 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0459 -4.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7910 -5.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1485 -5.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3639 -5.9083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3639 -6.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1485 -6.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6387 -6.1919 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 2 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 9 1 0 0 0 0 3 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 3 1 0 0 0 0 8 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 8 1 0 0 0 0 M CHG 2 1 -1 22 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00012083 > A > 279641 > - > - > - > - $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 0.0000 1.2200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 1.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 2.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 2.4896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 1.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 1 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 6 1 0 12 9 1 0 13 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00060492 > A > 457612 > - > - > - > - $$$$ 24 27 0 0 0 0 0 0 0 0 1 V2000 0.0000 1.0167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 0.1917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4125 2.2875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 2 1 0 0 0 0 8 2 1 0 0 0 0 9 2 1 0 0 0 0 10 9 2 0 0 0 0 11 9 1 0 0 0 0 12 7 2 0 0 0 0 13 7 1 0 0 0 0 14 8 2 0 0 0 0 15 8 1 0 0 0 0 16 13 2 0 0 0 0 17 10 1 0 0 0 0 18 11 2 0 0 0 0 19 14 1 0 0 0 0 20 15 2 0 0 0 0 21 12 1 0 0 0 0 22 20 1 0 0 0 0 23 18 1 0 0 0 0 24 16 1 0 0 0 0 6 3 1 0 0 0 0 23 17 2 0 0 0 0 22 19 2 0 0 0 0 24 21 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00229427 > A > 524891 > - > - > - > - $$$$ 6 6 0 0 0 0 0 0 0 0 1 V2000 0.8270 -0.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5813 0.3358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2436 0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5078 -0.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1539 -0.9288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8270 0.9288 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 1 1 0 3 6 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00047021 > A > 478695 > - > - > - > - $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.3216 0.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5733 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9039 -0.3444 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2384 0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4966 0.9268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9050 1.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 -0.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 -1.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1905 -1.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9050 -1.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9050 -0.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1905 0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 1 1 0 1 6 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00047015 > A > 375365 > - > - > - > - $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2179 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 1.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 2.4874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 2.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 1.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0764 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7120 -2.4874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -2.4874 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 7 1 0 3 12 1 0 12 13 2 0 12 14 1 0 M CHG 2 12 1 14 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 12 13 14 M SBL 1 1 13 M SMT 1 NO2 M SBV 1 13 -2.1699 2.5728 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00060491 > A > 444383 > - > - > - > - $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.3167 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -0.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1667 0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 -1.3333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3958 -0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 -0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2083 1.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9917 0.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 2 2 0 0 0 0 6 1 2 0 0 0 0 7 3 2 0 0 0 0 8 3 1 0 0 0 0 9 8 1 0 0 0 0 5 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00216584 > A > 427500 > - > - > - > - $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 -1.0125 0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1583 -0.2042 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 -1.6792 -0.2208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.2667 1.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0917 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -0.1875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3458 0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1583 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1583 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6792 -1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 6 1 0 0 0 0 12 6 1 0 0 0 0 13 6 1 0 0 0 0 7 5 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD01863660 > A > 510890 > - > - > - > - $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 6.4321 -6.9814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0996 -6.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8446 -5.7119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0196 -5.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7647 -6.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9828 -6.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5346 -5.0444 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.8672 -4.2891 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.7112 -5.1291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 5 6 1 0 0 0 0 4 7 1 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 M CHG 2 7 1 8 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00091864 > A > 473596 > - > - > - > - $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.0167 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6875 -0.2208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.2750 1.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3542 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6333 -0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6333 -0.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6875 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 0.2917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 2 1 0 0 0 0 9 6 1 0 0 0 0 5 4 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD01321308 > A > 475122 > - > - > - > - $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 0.8008 1.8674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0242 1.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 1.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3836 0.5994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0528 1.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3806 -0.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3354 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0483 -0.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7643 -0.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7673 -1.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0544 -1.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3384 -1.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7673 0.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 1 2 0 6 4 1 0 7 6 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 5 13 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16272261 > MFCD00010637 > A > 369713 > - > - > - > - $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -2.0177 -0.3927 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6066 -1.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7993 -0.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7115 -0.1177 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4645 0.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0013