15 14 0 0 0 0 0 0 0 0 1 V2000 -1.2184 0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5039 0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2184 -0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5039 -0.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2106 -0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2106 0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9304 -0.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5193 -1.5913 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6423 -1.2904 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3414 -0.1674 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6423 0.5877 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 0.9250 0.7692 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 0.9250 1.5913 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1386 -0.0277 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 0.7692 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 2 1 0 0 0 3 7 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 12 13 1 0 0 0 12 14 1 0 0 0 12 15 1 0 0 0 6 12 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 7 8 9 10 M SBL 1 1 7 M SMT 1 ^CF3 M SBV 1 7 -5.5212 2.2672 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 5 11 12 13 14 15 M SBL 2 1 14 M SMT 2 BF3K M SBV 2 14 -4.0947 3.0907 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04039955 > ALDRICH > 576131 > - > - > - > - > 16243421 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 2.4920 -3.7743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1999 -4.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9226 -3.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9386 -2.9766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2258 -2.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5061 -2.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2391 -1.7160 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 2.4022 -1.7042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2486 -0.8814 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0714 -1.7278 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1889 -5.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4649 -5.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -1.7458 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 6 1 1 0 0 0 0 2 3 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 3 4 2 0 0 0 0 7 9 1 0 0 0 0 1 2 2 0 0 0 0 7 10 1 0 0 0 0 4 5 1 0 0 0 0 2 11 1 0 0 0 0 11 12 1 0 0 0 0 5 6 2 0 0 0 0 M CHG 2 7 -1 13 1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD08276800 > ALDRICH > 659762 > - > - > - > - > 16243421 $$$$ 14 13 0 0 0 0 0 0 0 0 1 V2000 0.0903 -0.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1055 0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6012 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3232 0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3232 -0.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6012 -1.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5933 -1.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3013 -2.2802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1226 -2.2666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5973 1.4581 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 0.2277 1.4581 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4223 1.4581 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5921 2.2802 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4223 1.5425 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 7 9 1 0 0 0 10 11 1 0 0 0 10 12 1 0 0 0 10 13 1 0 0 0 3 10 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 10 11 12 13 14 M SBL 1 1 13 M SMT 1 BF3K M SBV 1 13 -5.3199 3.8169 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04115737 > ALDRICH > 657069 > - > - > - > - > 16243421 $$$$ 14 13 0 0 0 0 0 0 0 0 1 V2000 -2.3299 -0.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3299 0.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0443 1.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7588 0.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7588 -0.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0443 -0.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6095 -0.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6179 -1.2756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8975 -0.0299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0458 2.0464 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 -2.2236 2.0464 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.8679 2.0464 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0474 2.8714 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3792 2.4667 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 3 10 1 0 0 0 0 1 2 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 2 3 1 0 0 0 0 10 13 1 0 0 0 0 3 4 2 0 0 0 0 M CHG 2 10 -1 14 1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD07784423 > ALDRICH > 659789 > - > - > - > - > 16243421 $$$$ 12 11 0 0 0 0 0 0 0 0 1 V2000 4.9711 -3.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9711 -3.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4907 -4.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0103 -3.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0103 -3.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4907 -2.9624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4907 -2.3644 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 4.9000 -2.3583 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4833 -1.7750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 -2.3625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 -4.1500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5687 -2.4000 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 1 2 2 0 0 0 0 7 10 1 0 0 0 0 2 3 1 0 0 0 0 4 11 1 0 0 0 0 3 4 2 0 0 0 0 M CHG 2 7 -1 12 1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06659938 > ALDRICH > 659770 > - > - > - > - > 16243421 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 1.0195 -0.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0195 -0.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3051 0.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4094 -0.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4094 -0.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3051 -1.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3051 1.1333 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 -0.5171 1.1333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3051 1.9554 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1272 1.1333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1272 1.8781 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 -0.0509 -1.5444 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6611 -1.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 3 7 1 0 0 0 6 12 1 0 0 0 12 13 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 7 8 9 10 11 M SBL 1 1 10 M SMT 1 BF3K M SBV 1 10 -1.6889 3.2517 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 12 13 M SBL 2 1 11 M SMT 2 SCH3 M SBV 2 11 -2.0449 2.2240 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD07784379 > ALDRICH > 657115 > - > - > - > - > 16243421 $$$$ 12 11 0 0 0 0 0 0 0 0 1 V2000 4.9711 -3.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9711 -3.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4907 -4.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0103 -3.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0103 -3.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4907 -2.9624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4907 -2.3644 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 4.9000 -2.3583 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4833 -1.7750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 -2.3625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 -4.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5687 -2.4000 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 1 2 2 0 0 0 0 7 10 1 0 0 0 0 2 3 1 0 0 0 0 4 11 1 0 0 0 0 3 4 2 0 0 0 0 M CHG 2 7 -1 12 1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD07784422 > ALDRICH > 659746 > - > - > - > - > 16243421 $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 -1.6576 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6576 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9431 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2287 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2287 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9431 -0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4422 -0.2571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9271 0.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4422 1.0778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4833 -0.4132 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 0.4833 -1.2354 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3083 -0.4132 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4833 0.4089 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9271 -0.1735 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 1 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 2 1 0 0 0 10 11 1 0 0 0 10 12 1 0 0 0 10 13 1 0 0 0 5 10 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 10 11 12 13 14 M SBL 1 1 14 M SMT 1 BF3K M SBV 1 14 -3.4937 2.7154 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD08276799 > ALDRICH > 659754 > - > - > - > - > 16243421 $$$$ 14 13 0 0 0 0 0 0 0 0 1 V2000 -1.2129 0.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4984 0.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2129 -0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4984 -0.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 0.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9274 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9274 -1.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6418 -0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6418 0.6470 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 0.9305 0.8278 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 0.9305 1.6471 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1433 0.0337 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7526 0.8278 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 2 1 0 0 0 6 11 1 0 0 0 3 7 1 0 0 0 7 8 2 0 0 0 7 9 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 11 14 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD07784376 > ALDRICH > 657050 > - > - > - > - > 16243421 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 -1.9304 0.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2159 0.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9304 -0.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2159 -0.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5014 -0.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5014 0.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5719 -1.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8599 -1.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9304 0.5407 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 0.2131 0.7222 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 0.2131 1.5444 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4266 -0.0747 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0381 0.7222 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 2 1 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 10 11 1 0 0 0 10 12 1 0 0 0 10 13 1 0 0 0 6 10 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 7 8 M SBL 1 1 7 M SMT 1 OCH3 M SBV 1 7 -7.1233 3.8007 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 5 9 10 11 12 13 M SBL 2 1 12 M SMT 2 BF3K M SBV 2 12 -6.0528 4.4187 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04039954 > ALDRICH > 576115 > - > - > - > - > 16243421 $$$$ 14 13 0 0 0 0 0 0 0 0 1 V2000 -1.9274 0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2129 1.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9274 -0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2129 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4984 -0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4984 0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2129 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9273 -1.8534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4984 -1.8534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9274 0.8532 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 0.2161 1.0341 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 0.2161 1.8534 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4288 0.2400 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0382 1.0341 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 2 1 0 0 0 6 11 1 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 7 9 2 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 11 14 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD07784378 > ALDRICH > 657093 > - > - > - > - > 16243421 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 2.8255 0.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8255 -0.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5399 -0.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2544 -0.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2544 0.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5399 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1839 -1.0484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8959 -1.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5399 1.6292 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 2.0790 1.8383 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 3.1274 2.3437 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7535 2.4261 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2544 2.0417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6 9 1 0 0 0 0 3 7 1 0 0 0 0 1 2 2 0 0 0 0 7 8 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 G 7 3 OCH3 G 9 6 BF3K M CHG 2 9 -1 10 1 M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 2 7 8 M SBL 1 1 2 M SMT 1 OCH3 M SBV 1 2 0.3500 0.2000 M SAL 2 5 9 10 11 12 13 M SBL 2 1 1 M SDI 2 4 3.7400 1.3600 3.3300 1.3600 M SDI 2 4 1.7000 1.3300 1.7000 2.4800 M SMT 2 BF3K M SBV 2 1 0.0000 -0.8300 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04112717 > ALDRICH > 579068 > - > - > - > - > 16243421 $$$$ 14 13 0 0 0 0 0 0 0 0 1 V2000 -1.2159 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5014 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2159 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5014 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2131 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2131 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9304 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6448 -0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9304 -1.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6448 0.6435 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 0.9275 0.8250 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 0.9275 1.6471 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1411 0.0281 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7525 0.8250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 2 1 0 0 0 6 11 1 0 0 0 7 3 1 0 0 0 8 7 1 0 0 0 7 9 2 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 11 14 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD02093980 > ALDRICH > 576093 > - > - > - > - > 16243421 $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 -2.1834 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1834 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4689 -1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7545 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7545 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4689 0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1834 0.6416 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 -0.0425 0.4683 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 -0.4535 1.1803 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6695 0.8794 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3686 -0.2437 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 5 8 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 7 8 9 10 11 M SBL 1 1 10 M SMT 1 BF3K M SBV 1 10 -3.8570 3.0492 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01318172 > ALDRICH > 563951 > - > - > - > - > 16243421 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 -1.9304 0.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2159 0.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9304 -0.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2159 -1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5014 -0.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5014 0.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9304 0.3345 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 0.2131 0.5160 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 0.2131 1.3381 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4266 -0.2809 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0381 0.5160 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1454 -0.9271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5666 -1.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 2 1 0 0 0 6 8 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 5 12 1 0 0 0 12 13 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 12 13 M SBL 1 1 11 M SMT 1 OCH3 M SBV 1 11 -4.5207 2.6062 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04115756 > ALDRICH > 654930 > - > - > - > - > 16243421 $$$$ 12 11 0 0 0 0 0 0 0 0 1 V2000 -1.9304 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2159 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9304 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2159 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5014 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5014 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2106 -1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9304 0.2324 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 0.2131 0.4139 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 0.2131 1.2361 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4266 -0.3830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0381 0.4139 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 2 1 0 0 0 6 9 1 0 0 0 5 7 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03790006 > ALDRICH > 576123 > - > - > - > - > 16243421 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 -1.9304 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2159 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9304 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2159 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5014 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5014 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2159 1.2361 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2106 -1.2346 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9304 0.2324 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 0.2131 0.4139 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 0.2131 1.2361 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4266 -0.3830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0381 0.4139 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 2 1 0 0 0 6 10 1 0 0 0 2 7 1 0 0 0 5 8 1 0 0 0 10 11 1 0 0 0 10 12 1 0 0 0 10 13 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD05865179 > ALDRICH > 597929 > - > - > - > - > 16243421 $$$$ 15 14 0 0 0 0 0 0 0 0 1 V2000 -1.9274 0.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2129 0.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9274 -0.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2129 -1.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4984 -0.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4984 0.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8557 1.1372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1412 0.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9274 0.3376 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 0.2161 0.5185 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 0.2161 1.3378 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4288 -0.2756 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0382 0.5185 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1412 -0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5733 -1.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 2 1 0 0 0 2 7 1 0 0 0 7 8 1 0 0 0 10 11 1 0 0 0 10 12 1 0 0 0 10 13 1 0 0 0 6 10 1 0 0 0 5 14 1 0 0 0 14 15 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 7 8 M SBL 1 1 7 M SMT 1 OCH3 M SBV 1 7 -4.7145 8.0041 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 5 9 10 11 12 13 M SBL 2 1 12 M SMT 2 BF3K M SBV 2 12 -4.3573 7.7978 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 14 15 M SBL 3 1 13 M SMT 3 OCH3 M SBV 3 13 -4.7145 7.1791 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD07784377 > ALDRICH > 657085 > - > - > - > - > 16243421 $$$$ 12 11 0 0 0 0 0 0 0 0 1 V2000 -1.5859 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8714 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1569 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1569 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8714 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5859 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2979 -1.2339 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2979 0.6775 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 0.5551 0.4132 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 0.5551 1.2354 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5551 -0.4118 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3801 0.4132 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 6 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 1 1 0 0 0 6 7 1 0 0 0 4 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01318170 > ALDRICH > 592846 > - > - > - > - > 16243421 $$$$ 19 18 0 0 0 0 0 0 0 0 1 V2000 -1.2184 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5039 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2184 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5039 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2106 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2106 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9304 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3414 0.5226 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6423 1.6457 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5193 1.9466 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5039 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3182 -1.2361 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5039 -2.0582 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 -1.2361 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6423 1.0546 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 0.9250 1.2361 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 0.9250 2.0582 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1386 0.4392 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 1.2361 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 2 1 0 0 0 1 7 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 4 11 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 11 14 1 0 0 0 16 17 1 0 0 0 16 18 1 0 0 0 16 19 1 0 0 0 6 16 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 7 8 9 10 M SBL 1 1 7 M SMT 1 ^CF3 M SBV 1 7 -6.0368 4.2866 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 11 12 13 14 M SBL 2 1 11 M SMT 2 CF3 M SBV 2 11 -5.3248 3.0534 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 5 15 16 17 18 19 M SBL 3 1 18 M SMT 3 BF3K M SBV 3 18 -4.6104 4.2880 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03701625 > ALDRICH > 571563 > - > - > - > - > 16243421 $$$$ 12 11 0 0 0 0 0 0 0 0 1 V2000 2.6903 -0.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6903 -1.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4047 -1.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1192 -1.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1192 -0.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4047 0.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8312 0.1683 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.4047 0.9918 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 2.9922 1.7063 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6183 1.7887 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1192 1.4043 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9438 1.2009 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 6 8 1 0 0 0 0 G 8 6 BF3K M CHG 2 8 -1 12 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 8 9 10 11 12 M SBL 1 1 11 M SDI 1 4 3.6000 0.7300 3.2000 0.7300 M SDI 1 4 1.5000 0.6300 1.5000 1.9000 M SMT 1 BF3K M SBV 1 11 0.0000 -0.8200 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD08276753 > ALDRICH > 576107 > - > - > - > - > 16243421 $$$$ 12 11 0 0 0 0 0 0 0 0 1 V2000 -1.5859 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8714 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1569 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1569 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8714 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5859 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2979 -1.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2979 0.6775 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 0.5551 0.4132 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 0.5551 1.2354 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5551 -0.4118 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3801 0.4132 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 6 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 1 1 0 0 0 6 7 1 0 0 0 4 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01318171 > ALDRICH > 571555 > - > - > - > - > 16243421 $$$$ 15 14 0 0 0 0 0 0 0 0 1 V2000 -1.1736 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1736 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4592 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2553 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2553 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4592 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4592 -1.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2528 -2.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1712 -2.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2528 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4592 1.4416 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 -1.1712 1.8527 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2528 1.8527 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4592 2.2637 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1736 1.8226 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 3 7 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 11 14 1 0 0 0 6 11 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 11 12 13 14 15 M SBL 1 1 14 M SMT 1 BF3K M SBV 1 14 -4.9709 6.3744 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06659940 > ALDRICH > 654728 > - > - > - > - > 16243421 $$$$ 14 13 0 0 0 0 0 0 0 0 1 V2000 -1.9304 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2159 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9304 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2159 -0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5014 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5014 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2159 -1.4416 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5039 -1.8527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9279 -1.8527 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.9304 0.8490 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 0.2131 1.0305 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 0.2131 1.8527 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4266 0.2336 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0381 1.0305 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 2 1 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 7 9 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 11 14 1 0 0 0 6 11 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 7 8 9 M SBL 1 1 7 M SMT 1 NO2 M SBV 1 7 -4.6618 2.2033 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 5 10 11 12 13 14 M SBL 2 1 13 M SMT 2 BF3K M SBV 2 13 -3.9474 3.4380 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03701627 > ALDRICH > 571598 > - > - > - > - > 16243421 $$$$ 15 15 0 0 0 0 0 0 0 0 1 V2000 -2.9439 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9439 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2294 -1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5149 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5149 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2294 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8005 -1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8005 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 0.4118 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 2.9439 0.3488 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 0.6260 1.2368 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.4132 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4510 0.4118 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 11 13 1 0 11 14 1 0 11 15 1 0 9 11 1 0 M CHG 2 11 -1 12 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 11 12 13 14 15 M SBL 1 1 15 M SMT 1 BF3K M SBV 1 15 -5.2127 4.1673 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06659941 > ALDRICH > 657018 > - > - > - > - > 16243421 $$$$ 12 11 0 0 0 0 0 0 0 0 1 V2000 2.4876 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4876 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2020 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9165 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9165 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2020 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2020 -1.4221 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2020 1.8721 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 2.3770 1.8721 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2020 2.6971 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0270 1.8721 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2646 2.1242 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 6 8 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 G 8 6 BF3K M CHG 2 8 -1 12 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 8 9 10 11 12 M SBL 1 1 4 M SDI 1 4 3.4000 1.6000 2.9900 1.6000 M SDI 1 4 4.8800 1.6200 4.8800 2.7600 M SMT 1 BF3K M SBV 1 4 0.0000 -0.8300 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04115770 > ALDRICH > 657077 > - > - > - > - > 16243421 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 -0.6735 0.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6735 -0.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7554 -0.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7554 0.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 0.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4674 0.4251 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0456 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 1.2487 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 -1.4674 1.3289 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 -0.1726 2.0456 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6243 1.8321 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.2487 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 3 8 1 0 9 11 1 0 9 12 1 0 9 13 1 0 6 9 1 0 M CHG 2 9 -1 10 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 9 10 11 12 13 M SBL 1 1 12 M SMT 1 BF3K M SBV 1 12 -5.0723 6.0096 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD07784375 > ALDRICH > 656992 > - > - > - > - > 16243421 $$$$ 12 11 0 0 0 0 0 0 0 0 1 V2000 -1.5731 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8586 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5731 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8587 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1442 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1442 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2876 -1.2361 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.2876 0.2324 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 0.5703 0.4139 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 0.5703 1.2361 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7838 -0.3830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3953 0.4139 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 2 1 0 0 0 3 7 1 0 0 0 6 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD02093978 > ALDRICH > 571547 > - > - > - > - > 16243421 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 -1.9304 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2159 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9304 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2159 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5014 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5014 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2159 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2106 -1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9304 0.2324 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 0.2131 0.4139 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 0.2131 1.2361 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4266 -0.3830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0381 0.4139 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 2 1 0 0 0 6 10 1 0 0 0 2 7 1 0 0 0 5 8 1 0 0 0 10 11 1 0 0 0 10 12 1 0 0 0 10 13 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04974103 > ALDRICH > 592943 > - > - > - > - > 16243421 $$$$ 12 11 0 0 0 0 0 0 0 0 1 V2000 -1.5744 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8599 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5744 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8599 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1454 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1454 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2864 -1.2346 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 2.2864 0.2324 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 0.5691 0.4139 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 0.5691 1.2361 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7826 -0.3830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3941 0.4139 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 2 1 0 6 9 1 0 3 7 1 0 9 10 1 0 9 11 1 0 9 12 1 0 M CHG 2 8 1 9 -1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD09800738 > ALDRICH > 706108 > - > - > - > - > 16243421 $$$$ 19 19 0 0 0 0 0 0 0 0 1 V2000 -0.4562 0.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4562 -0.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2583 -0.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9728 -0.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9728 0.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2583 0.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1682 0.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8801 0.3999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1682 1.6331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5946 0.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3091 0.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3091 -0.4251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5946 -0.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8801 -0.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6848 -0.8362 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 1.6848 -0.0112 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2681 -1.4196 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4712 -1.6331 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3091 -0.6915 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 1 7 1 0 0 0 7 8 1 0 0 0 7 9 2 0 0 0 8 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 8 1 0 0 0 4 15 1 0 0 0 15 16 1 0 0 0 15 17 1 0 0 0 15 18 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD09800742 > ALDRICH > 706167 > - > - > - > - > 16243421 $$$$ 15 14 0 0 0 0 0 0 0 0 1 V2000 -0.1598 0.7550 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 -0.1598 -0.0671 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6652 0.7550 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1598 1.5771 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2908 0.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2908 -0.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5764 -0.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8619 -0.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8619 0.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5764 0.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1499 -0.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2612 -0.1532 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5621 -1.2762 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 -1.5771 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2908 0.7834 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 5 2 0 9 1 1 0 8 11 1 0 11 12 1 0 11 13 1 0 11 14 1 0 M CHG 2 1 -1 15 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 11 12 13 14 M SBL 1 1 11 M SMT 1 CF3 M SBV 1 11 -0.7120 0.4111 M END > (C) 2009 SIGMA-ALDRICH CO. > A_____707805 > ALDRICH > 707805 > - > - > - > - > 16243421 $$$$