9 8 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -1.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.1733 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.7145 -0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0029 0.3512 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 -0.0029 1.1733 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7091 -0.0599 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7149 -0.0599 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 6 7 1 0 0 0 6 8 1 0 0 0 6 9 1 0 0 0 6 3 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00013194 > ALDRICH > 216607 > FLUKA > 15720 > SIGMA > B6261 > 16276321 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.2055 0.0000 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 0.7120 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 -0.7120 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6166 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 1 2 3 4 M SMT 1 BF3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00011316 > ALDRICH > 463086 > FLUKA > 15714 > - > - > 16276321 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.2878 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 1.2981 -1.0394 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 -1.0394 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0394 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00011313 > ALDRICH > 295019 > FLUKA > 28688 > - > - > 16276321 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.2055 0.0000 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 0.7120 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 -0.7120 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6166 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 1 2 3 4 M SMT 1 BF3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00011316 > ALDRICH > 15712 > FLUKA > 15714 > - > - > 16276321 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.2055 0.0000 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 0.7120 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 -0.7120 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6166 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 1 2 3 4 M SMT 1 BF3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00011316 > ALDRICH > 295027 > FLUKA > 15714 > - > - > 16276321 $$$$ 9 7 0 0 0 0 0 0 0 0 1 V2000 -0.7669 0.0466 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 -1.1779 -0.6654 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1779 0.7585 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0553 0.0466 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3529 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.3529 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1779 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4721 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3529 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 6 2 0 5 7 1 0 5 8 1 0 5 9 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 1 2 3 4 M SMT 1 BF3 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 5 5 6 7 8 9 M SMT 2 • H3PO4 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00040371 > ALDRICH > 176397 > - > - > - > - > 16276321 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 0.2961 -0.8803 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 0.7072 -0.1683 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7072 -1.5923 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 -0.8803 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0398 0.3228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6277 0.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3727 1.5923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4523 1.5923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7072 0.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 5 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 1 2 3 4 M SMT 1 BF3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00040372 > ALDRICH > 434280 > - > - > - > - > 16276321 $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 0.2240 0.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 -0.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9385 -0.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6529 -0.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6529 0.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9385 0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3649 0.8702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9539 -0.1596 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 -2.3649 -0.8716 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3649 0.5524 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1317 -0.1596 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00072696 > ALDRICH > 434299 > - > - > - > - > 16276321 $$$$ 8 6 0 0 0 0 0 0 0 0 1 V2000 -2.8200 -0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1055 -0.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3910 -0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6766 -0.0351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 0.2055 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 -0.6166 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3960 0.6166 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8200 0.6166 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 6 1 0 0 0 5 7 1 0 0 0 5 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00167015 > ALDRICH > 156825 > - > - > - > - > 16276321 $$$$ 7 5 0 0 0 0 0 0 0 0 1 V2000 -1.0296 0.3530 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2628 -0.3590 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2628 1.0650 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8517 0.3530 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 0.8338 -1.0650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5483 -0.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2628 -1.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 2 4 1 0 0 0 3 4 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00144277 > FLUKA > 15730 > - > - > - > - > 16276321 $$$$ 12 9 0 0 0 0 0 0 0 0 1 V2000 -1.5005 0.1914 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 -2.2494 1.4893 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0005 0.1914 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2494 -1.1074 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2494 0.7714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4994 2.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0003 2.0694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2494 3.3684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8293 -3.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0793 -2.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4195 -2.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8293 -0.7714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00036359 > ALDRICH > 359955 > FLUKA > 15760 > - > - > 16276321 $$$$ 7 5 0 0 0 0 0 0 0 0 1 V2000 -2.5948 -0.0299 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 -3.3448 -1.3289 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0950 -0.0299 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.3448 1.2690 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8448 0.0300 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 1.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3448 0.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00013193 > ALDRICH > 261998 > - > - > - > - > 16276321 $$$$ 10 8 0 0 0 0 0 0 0 0 1 V2000 -1.4725 -0.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8891 0.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1747 -0.0854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4725 0.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3058 0.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1747 -0.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 -0.0854 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 0.2393 -0.7974 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2393 0.6266 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4725 -0.0854 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 1 0 0 0 2 5 1 0 0 0 3 6 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 7 8 9 10 M SMT 1 BF3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00075226 > ALDRICH > 341312 > - > - > - > - > 16276321 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 5.3712 -3.1412 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 5.3712 -3.7412 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7712 -3.1412 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3712 -2.5412 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9712 -3.1412 0.0000 O 0 3 3 0 0 0 0 0 0 0 0 0 6.2701 -2.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2701 -3.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 M CHG 2 1 -1 5 1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00013192 > ALDRICH > 218847 > FLUKA > 15800 > - > - > 16276321 $$$$ 13 11 0 0 0 0 0 0 0 0 1 V2000 0.1523 0.0095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0323 0.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2033 0.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0853 1.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2564 1.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9623 -0.8004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1403 -0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0033 -1.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1823 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6475 -0.0504 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 -4.2564 1.0054 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4275 -0.0504 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.2564 -1.1074 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00013195 > ALDRICH > 307912 > - > - > - > - > 16276321 $$$$ 10 7 0 0 0 0 0 0 0 0 1 V2000 -2.1359 -0.7935 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4215 -0.3810 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 -0.7095 -0.7921 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4215 0.4411 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7093 -0.8724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4239 -0.4598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1359 -0.8709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6234 0.4598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3379 0.8724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 0.4612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 10 1 2 3 4 5 6 7 8 9 10 M SMT 1 BF3 • 2H2O M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00149901 > ALDRICH > 359963 > FLUKA > 15750 > - > - > 16276321 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -1.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.1733 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.7145 -0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0029 0.3512 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 -0.0029 1.1733 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7091 -0.0599 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7149 -0.0599 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 6 7 1 0 0 0 6 8 1 0 0 0 6 9 1 0 0 0 6 3 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00013194 > ALDRICH > 175501 > FLUKA > 15720 > SIGMA > B6261 > 16276321 $$$$ 7 5 0 0 0 0 0 0 0 0 1 V2000 1.1035 -3.9500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5839 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6231 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1267 -3.0888 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 0.6058 -3.3824 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1329 -2.4909 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6414 -3.3931 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00013208 > ALDRICH > 247014 > - > - > - > - > 16276321 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -1.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.1733 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.7145 -0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0029 0.3512 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 -0.0029 1.1733 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7091 -0.0599 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7149 -0.0599 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 6 7 1 0 0 0 6 8 1 0 0 0 6 9 1 0 0 0 6 3 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00013194 > ALDRICH > 320188 > FLUKA > 15720 > SIGMA > B6261 > 16276321 $$$$ 10 8 0 0 0 0 0 0 0 0 1 V2000 6.5403 -3.1056 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 7.0598 -2.8054 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0205 -2.8057 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5404 -3.7056 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1512 -3.3787 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7512 -3.3844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1456 -3.9787 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 4.5512 -3.3731 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 5.1569 -2.7788 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 6.0463 -3.9068 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00074941 > ALDRICH > 331554 > - > - > - > - > 16276321 $$$$ 21 22 0 0 0 0 0 0 0 0 1 V2000 4.8905 -3.7356 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1990 -3.2234 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 4.9097 -2.7001 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2193 -2.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9290 -1.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3291 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0195 -2.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3098 -2.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2907 -3.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9764 -4.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2907 -4.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8905 -4.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2048 -4.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5130 -3.2163 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.5130 -2.6163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5130 -3.8163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8839 -3.2364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1109 -3.2163 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1109 -2.6183 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.7088 -3.2163 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1109 -3.8142 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 3 1 0 0 0 0 1 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 1 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 2 1 0 0 0 0 14 18 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 G 18 14 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 18 19 20 21 M SBL 1 1 16 M SMT 1 CF3 M SBV 1 16 -0.5900 0.0000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06797094 > ALDRICH > 703052 > - > - > - > - > 16276321 $$$$