7 4 0 0 0 0 0 0 0 0 1 V2000 6.2958 -4.5250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.0083 -4.1125 0.0000 Al 0 0 0 0 0 0 0 0 0 0 0 0 7.8250 -4.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 -5.8667 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.9792 -5.4542 0.0000 Al 0 0 0 0 0 0 0 0 0 0 0 0 7.7958 -5.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8625 -5.0875 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 4 5 1 0 0 0 0 1 2 1 0 0 0 0 5 6 2 0 0 0 0 M CHG 3 1 -1 4 -1 7 2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16257686 > MFCD00049475 > A > 677396 > - > - > - > - $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 3.8333 -5.3083 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5458 -4.8917 0.0000 Al 0 0 0 0 0 0 0 0 0 0 0 0 5.2583 -5.3042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -4.0667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 1 2 1 0 0 0 0 2 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16257686 > MFCD00003422 > 1 > 206911 > A > 294713 > F > 06218 $$$$ 1 0 0 0 0 0 0 0 0 0 1 V2000 5.1583 -2.8667 0.0000 Al 0 0 0 0 0 15 0 0 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16257686 > MFCD00134029 > 1 > 310360 > R > 11009 > - > - $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 3.1417 -5.9000 0.0000 Al 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -6.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -5.0750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 -6.4917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -6.4792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 8 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16257686 > MFCD03701522 > A > 553417 > - > - > - > - $$$$ 10 6 0 0 0 0 0 0 0 0 1 V2000 -2.2386 1.8047 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 -1.8518 -0.1289 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 -1.6800 -1.8047 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 1.0906 0.3867 0.0000 Al 0 7 0 0 0 0 0 0 0 0 0 0 1.0906 1.2117 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0906 -0.4383 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5073 -0.1966 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3762 0.7992 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0566 -0.0258 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2386 0.9668 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 4 6 1 0 0 0 4 7 1 0 0 0 4 8 1 0 0 0 4 9 1 0 0 0 4 10 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16257686 > MFCD00050973 > A > 435805 > - > - > - > - $$$$ 7 5 0 0 0 0 0 0 0 0 1 V2000 -2.2089 -0.6173 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4945 -0.2048 0.0000 Al 0 0 0 0 0 0 0 0 0 0 0 0 -0.7825 -0.6159 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4945 0.6173 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7825 -0.2020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4969 0.2105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2089 -0.2005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 1 2 3 4 5 6 7 M SMT 1 AlCl3 • xH2O M END > (C) 2008 SIGMA-ALDRICH CO. > 16257686 > MFCD00149135 > A > 229393 > - > - > - > - $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.0000 0.0000 Al 0 0 0 0 0 0 0 0 0 0 0 0 -1.4998 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4998 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.4999 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4999 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0609 1.0609 0.0000 Na 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16257686 > MFCD00050361 > A > 407402 > - > - > - > - $$$$ 6 4 0 0 0 0 0 0 0 0 1 V2000 4.6556 -3.3958 0.0000 Li 0 3 0 0 0 0 0 0 0 0 0 0 6.3019 -3.1732 0.0000 Al 0 5 0 0 0 0 0 0 0 0 0 0 5.8760 -2.7505 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.7278 -3.5958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8793 -3.5990 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.7246 -2.7473 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 M CHG 2 1 1 2 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16257686 > MFCD00061440 > A > 429473 > - > - > - > - $$$$ 6 4 0 0 0 0 0 0 0 0 1 V2000 -0.9853 -0.3438 0.0000 Al 0 5 0 0 0 0 0 0 0 0 0 0 -0.9853 0.4812 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8103 -0.3438 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9853 -1.1688 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2264 -0.3438 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8103 1.1688 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16257686 > MFCD00274653 > A > 451207 > - > - > - > - $$$$ 25 21 0 0 0 0 0 0 0 0 1 V2000 5.2404 2.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9414 1.4449 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6424 2.1949 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9414 -0.0549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9414 2.9449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5394 1.4449 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2404 3.6949 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2404 0.6949 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1295 2.0449 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 -1.7395 -2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4404 -1.8249 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8584 -2.5750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4404 -0.3249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4404 -3.3249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0385 -1.8249 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7395 -4.0749 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7395 -1.0749 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.7694 2.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4704 2.7649 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1715 2.0149 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.4704 4.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4704 1.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0685 2.7649 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.7694 0.5149 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.7694 3.5149 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 11 14 2 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 18 24 1 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 19 22 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16257686 > MFCD00143596 > A > 515884 > - > - > - > - $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 -0.0150 -0.0000 0.0000 Al 0 0 0 0 0 0 0 0 0 0 0 0 1.5149 0.4200 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5149 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 1.4999 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -1.4999 0.0000 Na 0 0 0 0 0 0 0 0 0 0 0 0 1.0459 1.0610 0.0000 Na 0 0 0 0 0 0 0 0 0 0 0 0 -1.0759 1.0610 0.0000 Na 0 0 0 0 0 0 0 0 0 0 0 0 -1.0759 -1.0609 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0459 -1.0609 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3290 -0.5699 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16257686 > MFCD00003507 > A > 230049 > R > 01713 > - > - $$$$ 23 22 0 0 0 0 0 0 0 0 1 V2000 7.8563 0.3635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8563 1.1064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6091 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4091 0.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2091 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0093 0.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8093 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6092 0.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5906 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7906 0.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9905 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2205 0.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3905 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4063 0.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4263 -0.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4162 0.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4062 -0.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3962 0.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4134 -0.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0134 -0.2492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2134 0.0936 0.0000 Al 0 0 0 0 0 0 0 0 0 0 0 0 11.4134 0.0936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4134 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 20 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16257686 > MFCD00019932 > F > 06270 > - > - > - > - $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -4.4998 0.0000 0.0000 Al 0 0 0 0 0 0 0 0 0 0 0 0 -2.9998 0.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.0000 0.0000 Al 0 0 0 0 0 0 0 0 0 0 0 0 -0.0301 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4997 0.0000 0.0000 Al 0 0 0 0 0 0 0 0 0 0 0 0 2.9697 0.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4998 0.0000 0.0000 Al 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 3 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16257686 > MFCD00003425 > R > 11013 > - > - > - > - $$$$ 6 4 0 0 0 0 0 0 0 0 1 V2000 -0.1629 1.5811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1345 0.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4603 0.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1629 3.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4603 2.3282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4604 -3.6145 0.0000 Al 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16257686 > MFCD00008801 > F > 06201 > - > - > - > - $$$$ 16 12 0 0 0 0 0 0 0 0 1 V2000 4.6542 -3.6250 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.5167 0.0875 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 1.9542 -2.0000 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 2.8417 -1.4792 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7750 -3.1042 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.8667 -0.7792 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4667 -2.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -3.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 0.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 1.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4167 -4.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -1.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -4.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 0.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -1.8667 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 2 0 0 0 0 8 3 2 0 0 0 0 9 2 2 0 0 0 0 10 2 1 0 0 0 0 11 1 1 0 0 0 0 12 3 1 0 0 0 0 13 3 1 0 0 0 0 14 1 1 0 0 0 0 15 2 1 0 0 0 0 M CHG 4 4 -1 5 -1 6 -1 16 3 M END > (C) 2008 SIGMA-ALDRICH CO. > 16257686 > MFCD00014152 > F > 06233 > - > - > - > - $$$$ 16 15 0 0 0 0 0 0 0 0 1 V2000 0.1146 -3.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3925 -3.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1257 -2.5408 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4685 -2.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1011 -2.5684 0.0000 Al 0 0 0 0 0 0 0 0 0 0 0 0 1.6084 -2.2770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -2.2733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1011 -3.1512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6084 -3.4425 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6084 -4.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1115 -3.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1115 -2.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6087 -1.6937 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1018 -1.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5961 -1.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1118 -1.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 3 7 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 6 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 13 16 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16257686 > MFCD00009327 > F > 06190 > - > - > - > - $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 -0.2055 0.3560 0.0000 Al 0 0 0 0 0 0 0 0 0 0 0 0 -0.6166 -0.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4387 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8498 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6166 1.0680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4387 1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8498 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 0.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0277 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8498 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 5 1 0 1 8 1 0 2 3 1 0 3 4 1 0 5 6 1 0 6 7 1 0 8 9 1 0 9 10 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 10 1 2 3 4 5 6 7 8 9 10 M SMT 1 Al(OCH2CH3)3 M END > (C) 2008 SIGMA-ALDRICH CO. > 16257686 > MFCD00009658 > F > 06170 > - > - > - > - $$$$ 13 9 0 0 0 0 0 0 0 0 1 V2000 1.5208 -0.0125 0.0000 Al 0 0 0 0 0 0 0 0 0 0 0 0 1.2208 -0.5292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2208 0.5042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1208 -0.0125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 -0.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 0.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -0.0208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 0.9458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 1.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 0.9458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 -0.9625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -0.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -0.9583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 G 1 0 AlF3 G 5 0 • \3H2O M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 4 1 2 3 4 M SMT 1 AlF3 M SAL 2 9 5 6 7 8 9 10 11 12 13 M SMT 2 • \3H2O M END > (C) 2008 SIGMA-ALDRICH CO. > 16257686 > MFCD00149141 > R > 01101 > - > - > - > - $$$$ 8 6 0 0 0 0 0 0 0 0 1 V2000 8.0375 -6.4083 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 9.0042 -6.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2125 -6.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 -6.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 -6.2000 0.0000 Al 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -6.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -6.1958 0.0000 Al 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 -6.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16257686 > MFCD00077645 > F > 06417 > - > - > - > - $$$$ 4 2 0 0 0 0 0 0 0 0 1 V2000 -0.9838 0.0000 0.0000 Al 0 5 0 0 0 0 0 0 0 0 0 0 -0.9838 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9838 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9838 0.3094 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 2 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 1 2 3 4 M SMT 1 NaAlO2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16257686 > MFCD00085355 > R > 13404 > - > - > - > - $$$$ 71 48 0 0 0 0 0 0 0 0 1 V2000 3.8785 -1.8419 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.8785 -2.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8785 -1.2419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5192 -1.8391 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2377 -1.8391 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2375 -2.5301 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 2.1750 -3.1551 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 1.2535 -1.7794 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.2535 -2.3794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2535 -1.1794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8942 -1.7766 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6127 -1.7766 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2847 -4.4044 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.2847 -5.0044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2847 -3.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9254 -4.4016 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6440 -4.4016 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.6661 -1.6490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1858 -1.3490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7037 -1.6480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6349 -2.3365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1546 -2.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6724 -2.3355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6349 -3.0553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1546 -2.7552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6724 -3.0542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6661 -3.6803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1858 -3.3802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7037 -3.6792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6661 -4.3053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1858 -4.0052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7037 -4.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6349 -4.9928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1546 -4.6927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6724 -4.9917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6349 -5.6803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1546 -5.3802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6724 -5.6792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6661 -6.4303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1858 -6.1302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7037 -6.4292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6974 -7.0865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2171 -6.7865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7349 -7.0855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6036 -0.6802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1233 -0.3801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6412 -0.6791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5724 -1.3677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0920 -1.0676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6099 -1.3666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5724 -2.0864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0920 -1.7864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6099 -2.0854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6036 -2.7114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1233 -2.4114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6412 -2.7104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6036 -3.3364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1233 -3.0364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6412 -3.3354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5724 -4.0239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0920 -3.7239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6099 -4.0229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5724 -4.7114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0920 -4.4114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6099 -4.7104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6036 -5.4614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1233 -5.1614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6412 -5.4604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6349 -6.1177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1545 -5.8176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6724 -6.1166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28 29 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 18 19 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 19 20 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 1 2 2 0 0 0 0 27 28 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 M CHG 8 4 -1 5 -1 6 3 7 3 11 -1 12 -1 16 -1 17 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16257686 > MFCD00149136 > 1 > 227617 > - > - > - > - $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.0625 -0.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -0.2083 0.0000 Al 0 0 0 0 0 0 0 0 0 0 0 0 1.4914 -0.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 1 2 1 0 0 0 0 2 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16257686 > MFCD00003420 > R > 11037 > - > - > - > - $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.0016 -0.2030 0.0000 Al 0 0 0 0 0 0 0 0 0 0 0 0 1.2997 -0.9544 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.2997 -0.9544 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 0.9544 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16257686 > MFCD00003421 > A > 210072 > - > - > - > - $$$$ 24 8 0 0 0 0 0 0 0 0 1 V2000 -3.7510 1.0957 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7510 1.9207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7510 0.2707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9260 1.0957 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.5760 1.0957 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.7510 -1.4395 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7510 -0.6145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7510 -2.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9260 -1.4395 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.5760 -1.4395 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3018 1.6199 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 -1.1523 0.1590 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 1.4393 2.2215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4393 1.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0291 2.2215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0291 1.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5330 2.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5330 1.1043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4822 -0.0129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4822 -1.1730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0721 -0.0129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0721 -1.1730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5760 0.0301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5760 -1.1301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 6 7 2 0 0 0 6 8 2 0 0 0 6 9 1 0 0 0 6 10 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16257686 > MFCD00149143 > 1 > 237086 > - > - > - > - $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 3.7708 -5.3375 0.0000 Al 0 0 0 0 0 0 0 0 0 0 0 0 4.4833 -4.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1958 -5.3333 0.0000 Al 0 0 0 0 0 0 0 0 0 0 0 0 5.9083 -4.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -4.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 1 2 1 0 0 0 0 3 4 2 0 0 0 0 1 5 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16257686 > MFCD00003424 > 1 > A2039 > - > - > - > - $$$$ 40 27 0 0 0 0 0 0 0 0 1 V2000 6.0161 -2.4694 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.5274 -2.1778 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.0429 -2.4694 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.5274 -1.5882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3552 -2.2049 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.8665 -2.4965 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8481 -2.4965 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.3552 -1.6194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8599 -4.6569 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.3712 -4.3653 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.8866 -4.6569 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.3712 -3.7757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2583 -0.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -0.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 -0.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9458 -0.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -0.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9625 -0.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -0.7625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5458 -0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0542 -0.7625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0083 -3.6750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -3.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -3.6750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4417 -3.2292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 -2.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4583 -3.2292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6292 -4.3833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1375 -4.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6458 -4.3833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -5.3208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2083 -5.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 -5.3208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -5.5750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -5.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1208 -5.5750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -5.4167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -5.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 -5.4167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 -3.1208 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 16 17 1 0 0 0 0 2 1 1 0 0 0 0 17 18 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 6 5 1 0 0 0 0 5 7 1 0 0 0 0 25 26 1 0 0 0 0 5 8 2 0 0 0 0 26 27 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 10 9 1 0 0 0 0 31 32 1 0 0 0 0 10 11 1 0 0 0 0 32 33 1 0 0 0 0 10 12 2 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 13 14 1 0 0 0 0 37 38 1 0 0 0 0 14 15 1 0 0 0 0 38 39 1 0 0 0 0 M CHG 8 1 -1 2 1 3 -1 5 1 6 -1 7 -1 9 -1 10 1 M CHG 2 11 -1 40 3 M END > (C) 2008 SIGMA-ALDRICH CO. > 16257686 > MFCD00149132 > 1 > 237973 > - > - > - > - $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 -2.1434 0.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.3989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8114 0.0000 Al 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.3989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -0.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 2 8 1 0 0 0 4 9 1 0 0 0 6 10 1 0 0 0 9 11 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16257686 > MFCD00008870 > A > 220418 > F > 06248 > R > 60021 $$$$ 10 3 0 0 0 0 0 0 0 0 1 V2000 -2.6596 -1.0141 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.9451 -0.6016 0.0000 Al 0 0 0 0 0 0 0 0 0 0 0 0 -1.2306 -1.0141 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.9451 0.2206 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2846 0.9711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2416 0.1547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6596 1.0141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 0.1977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2193 0.9281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2623 0.1117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16257686 > MFCD00149134 > 1 > 237078 > F > 06231 > R > 11091 $$$$ 22 21 0 0 0 0 0 0 0 0 1 V2000 -0.8006 -1.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8006 -2.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2303 -3.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2603 -2.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2603 -1.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2303 -0.1273 0.0000 Al 0 0 0 0 0 0 0 0 0 0 0 0 2.1094 -3.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6795 -3.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7253 -0.8883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9153 -0.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5094 0.1425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9143 1.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7253 1.1735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4543 1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3053 -1.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4204 1.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4204 0.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3895 -0.1374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3596 1.6474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3895 2.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5094 -0.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3895 3.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 6 13 1 0 0 0 0 6 18 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 19 20 2 0 0 0 0 20 22 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16257686 > MFCD00000013 > F > 06160 > - > - > - > - $$$$