3 3 0 0 0 0 0 0 0 0 1 V2000 0.4125 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 1 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00014482 > ALDRICH > 387614 > FLUKA > 03906 > - > - > 16280465 $$$$ 1 0 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 Ne 0 0 0 0 0 0 0 0 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011136 > ALDRICH > 295558 > FLUKA > 17366 > - > - > 16280465 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 Ge 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8221 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 1 2 3 4 5 M SMT 1 GeF4 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00042536 > ALDRICH > 463000 > - > - > - > - > 16280465 $$$$ 3 3 0 0 0 0 0 0 0 0 1 V2000 -0.5723 0.3816 0.0000 C 1 0 0 0 0 0 0 0 0 0 0 0 0.5723 0.3816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0361 -0.3816 0.0000 C 1 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 3 1 0 M ISO 2 1 13 3 13 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00144291 > ALDRICH > 492612 > - > - > - > - > 16280465 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 Ge 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8221 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 1 2 3 4 5 M SMT 1 GeF4 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00042536 > ALDRICH > 401501 > - > - > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 0.2254 -1.6699 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5244 -0.9199 0.0000 C 1 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00083967 > ALDRICH > 489409 > - > - > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.4111 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 1 2 M SMT 1 N2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011416 > ALDRICH > 295574 > FLUKA > 00474 > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.4111 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 1 2 M SMT 1 CH3CH3 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00009023 > ALDRICH > 539775 > FLUKA > 00582 > - > - > 16280465 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 1 3 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00036235 > ALDRICH > 480983 > - > - > - > - > 16280465 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 0.7120 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 1 2 3 M SMT 1 CH3OCH3 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008494 > ALDRICH > 295299 > FLUKA > 38914 > - > - > 16280465 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00009383 > ALDRICH > 295051 > FLUKA > 19061 > - > - > 16280465 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.0000 0.0000 0.0000 Mo 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 -0.7120 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -0.7120 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8221 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 0.7120 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 0.7120 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 1 7 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 1 2 3 4 5 6 7 M SMT 1 MoF6 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00014220 > ALDRICH > 399094 > - > - > - > - > 16280465 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.0692 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3548 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7683 0.7120 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 -0.4111 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0538 -0.7120 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 3 5 1 0 0 0 3 6 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 3 4 5 6 M SBL 1 1 2 M SMT 1 CF3 M SBV 1 2 -4.9119 3.8414 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00039265 > ALDRICH > 371378 > - > - > - > - > 16280465 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008288 > ALDRICH > 295280 > FLUKA > 38932 > - > - > 16280465 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 0.0016 0.3750 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.2973 -0.3750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2973 -0.3750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011600 > ALDRICH > 333395 > - > - > - > - > 16280465 $$$$ 4 4 0 0 0 0 0 0 0 0 1 V2000 -0.7685 0.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0565 0.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.5628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7685 0.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 2 1 0 2 4 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00005126 > SIGMA-ALDRICH > 471968 > - > - > - > - > 16280465 $$$$ 4 4 0 0 0 0 0 0 0 0 1 V2000 -0.7685 0.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0565 0.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.5628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7685 0.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 2 1 0 2 4 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00005126 > SIGMA-ALDRICH > 110205 > - > - > - > - > 16280465 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 0.0012 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.9733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1243 0.4521 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4252 -0.6710 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3022 -0.9719 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -0.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3022 -0.9733 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4252 -0.6724 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1243 0.4507 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 3 4 1 0 0 0 3 5 1 0 0 0 3 6 1 0 0 0 1 7 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 3 4 5 6 M SBL 1 1 2 M SMT 1 CF3 M SBV 1 2 -3.7825 3.0229 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 7 8 9 10 M SBL 2 1 6 M SMT 2 ^CF3 M SBV 2 6 -5.2090 3.0215 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000422 > ALDRICH > 295353 > - > - > - > - > 16280465 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 -0.4111 0.4125 0.0000 C 1 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 2 0 0 0 M ISO 1 1 13 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00064513 > ALDRICH > 364592 > FLUKA > 60868 > - > - > 16280465 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -1.0717 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 2 0 0 0 2 5 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008937 > FLUKA > 66072 > - > - > - > - > 16280465 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -0.7132 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008926 > ALDRICH > 295450 > FLUKA > 58351 > - > - > 16280465 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 0.1208 0.2917 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7042 0.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -0.2917 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 1 3 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 1 2 3 M SMT 1 N2O M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011492 > ALDRICH > 295590 > FLUKA > 00583 > - > - > 16280465 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 1.0625 -3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -4.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00039911 > FLUKA > 18855 > - > - > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 0.1304 -0.9699 0.0000 C 1 0 0 0 0 0 0 0 0 0 0 0 1.4294 -0.2199 0.0000 C 1 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00083948 > ALDRICH > 489220 > - > - > - > - > 16280465 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 0.6503 -0.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6504 0.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5053 0.7026 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7665 -2.3166 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4738 -2.3166 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5054 -0.6945 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4737 2.3166 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7666 2.3166 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00039400 > ALDRICH > 331015 > FLUKA > 77265 > - > - > 16280465 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 -0.7132 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00009279 > ALDRICH > 295663 > FLUKA > 82222 > - > - > 16280465 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 -0.4111 0.4125 0.0000 C 1 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 2 0 0 0 M ISO 1 1 13 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00064513 > ALDRICH > 486418 > FLUKA > 60868 > - > - > 16280465 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.2878 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 1.2981 -1.0394 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 -1.0394 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0394 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011313 > ALDRICH > 295019 > FLUKA > 28688 > - > - > 16280465 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.2055 0.0000 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 0.7120 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 -0.7120 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6166 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 1 2 3 4 M SMT 1 BF3 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011316 > ALDRICH > 463086 > FLUKA > 15714 > - > - > 16280465 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 -0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008566 > ALDRICH > 294985 > FLUKA > 05675 > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.4111 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 1 2 M SMT 1 CH3CH3 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00009023 > ALDRICH > 295302 > FLUKA > 00582 > - > - > 16280465 $$$$ 1 0 0 0 0 0 0 0 0 0 1 V2000 0.0449 0.1149 0.0000 Xe 0 0 0 0 0 0 0 0 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00036280 > FLUKA > 00472 > - > - > - > - > 16280465 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -0.6180 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 0.7120 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -0.7120 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 2 3 4 M SBL 1 1 1 M SMT 1 CF2 M SBV 1 1 -4.9063 3.4805 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000448 > ALDRICH > 295272 > FLUKA > 36865 > - > - > 16280465 $$$$ 1 0 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 Kr 0 0 0 0 0 0 0 0 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00016158 > FLUKA > 00484 > - > - > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.7500 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 0.0000 0.0000 C 1 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00083909 > ALDRICH > 415561 > - > - > - > - > 16280465 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -0.7132 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008926 > ALDRICH > 539821 > FLUKA > 58351 > - > - > 16280465 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.2055 0.0000 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 0.7120 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 -0.7120 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6166 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 1 2 3 4 M SMT 1 BF3 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011316 > ALDRICH > 295027 > FLUKA > 15714 > - > - > 16280465 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 W 0 0 0 0 0 0 0 0 0 0 0 0 1.2993 -0.7492 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2993 -0.7492 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0346 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2993 0.7492 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2993 0.7492 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0346 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00040536 > ALDRICH > 399108 > - > - > - > - > 16280465 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 0.4125 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.4125 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 M RAD 1 1 2 M CHG 1 1 1 M CHG 1 3 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 1 2 3 M SMT 1 NO2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00085341 > ALDRICH > 295582 > FLUKA > 85844 > - > - > 16280465 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -0.7132 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008898 > ALDRICH > 295469 > FLUKA > 58556 > - > - > 16280465 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 0.7120 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.2055 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 1 2 3 M SMT 1 CH3CH2Cl M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000961 > ALDRICH > 295310 > FLUKA > 03340 > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.4125 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008604 > ALDRICH > 536164 > FLUKA > 03482 > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.4125 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008604 > ALDRICH > 295329 > FLUKA > 03482 > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.4111 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 1 2 M SMT 1 CH3NH2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008104 > FLUKA > 65569 > - > - > - > - > 16280465 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 0.6795 0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6795 0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9771 -0.7498 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1.9771 0.7498 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -1.9771 -0.7498 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -1.9771 0.7498 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00084144 > ALDRICH > 422851 > - > - > - > - > 16280465 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -0.0012 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -0.2063 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 -1.0284 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 1.0284 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7157 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1268 -0.5057 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 0.6173 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3046 0.9182 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 2 1 2 0 0 0 3 2 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 6 7 1 0 0 0 6 8 1 0 0 0 6 9 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000447 > ALDRICH > 295388 > FLUKA > 52516 > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.4111 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 1 2 M SMT 1 CH3NH2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008104 > FLUKA > 65576 > - > - > - > - > 16280465 $$$$ 1 0 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 N 1 0 0 0 0 0 0 0 0 0 0 0 M ISO 1 1 15 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00064507 > ALDRICH > 487961 > - > - > - > - > 16280465 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -0.7132 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008327 > ALDRICH > 243205 > FLUKA > 92251 > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.4111 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 1 2 M SMT 1 CH3Cl M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000872 > ALDRICH > 295507 > FLUKA > 66222 > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.4111 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 1 2 M SMT 1 CH3NH2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008104 > FLUKA > 65568 > - > - > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.4111 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 1 2 M SMT 1 CH3NH2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008104 > FLUKA > 65571 > - > - > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.4111 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 1 2 M SMT 1 CH3NH2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008104 > FLUKA > 65572 > - > - > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.4111 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 1 2 M SMT 1 CH3NH2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008104 > FLUKA > 65574 > - > - > - > - > 16280465 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -1.0705 -0.2613 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.9733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7695 0.4507 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.6724 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0526 -0.9733 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 2 3 2 0 0 0 2 4 1 0 0 0 4 5 1 0 0 0 4 6 1 0 0 0 4 7 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 4 5 6 7 M SBL 1 1 3 M SMT 1 CF3 M SBV 1 3 -2.8482 2.6777 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00039307 > ALDRICH > 300004 > FLUKA > 91686 > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.4111 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 1 2 M SMT 1 SiH3CH3 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00053655 > ALDRICH > 462993 > - > - > - > - > 16280465 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 -0.7132 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.2048 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00040415 > ALDRICH > 387622 > FLUKA > 94932 > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.4111 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 1 2 M SMT 1 CH3SH M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00004866 > ALDRICH > 295515 > FLUKA > 67782 > - > - > 16280465 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8221 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 2 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 1 2 3 M SMT 1 CO2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011491 > ALDRICH > 295108 > FLUKA > 00486 > - > - > 16280465 $$$$ 1 0 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011444 > ALDRICH > 295442 > FLUKA > 84742 > - > - > 16280465 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8221 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00040327 > FLUKA > 84730 > - > - > - > - > 16280465 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00042064 > ALDRICH > 364533 > - > - > - > - > 16280465 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 0.7120 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 1 2 3 M SMT 1 CH3CH2CH3 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00009359 > ALDRICH > 295655 > - > - > - > - > 16280465 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5814 0.5814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5814 0.5814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5814 -0.5814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5814 -0.5814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 1 2 3 4 5 M SMT 1 CH4 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008279 > ALDRICH > 295477 > FLUKA > 64252 > - > - > 16280465 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2998 -1.0551 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2999 -1.0551 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7877 1.0551 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7877 1.0551 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001060 > ALDRICH > 171441 > FLUKA > 91860 > - > - > 16280465 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 3.6497 -3.2146 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0612 -3.6324 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4944 -3.7816 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0885 -3.3604 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2338 -2.7987 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8039 -2.6521 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2143 -3.0646 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011447 > ALDRICH > 295701 > - > - > - > - > 16280465 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5814 0.5814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5814 0.5814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5814 -0.5814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5814 -0.5814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 1 2 3 4 5 M SMT 1 CH4 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008279 > ALDRICH > 463035 > FLUKA > 64252 > - > - > 16280465 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8221 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 2 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 1 2 3 M SMT 1 SO2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011450 > ALDRICH > 295698 > FLUKA > 84693 > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.4111 0.0000 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 0.4111 0.0000 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 1 2 M SMT 1 CO M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011320 > ALDRICH > 295116 > FLUKA > 60870 > - > - > 16280465 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 1.0625 -3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -4.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00039911 > FLUKA > 18853 > - > - > - > - > 16280465 $$$$ 1 0 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 N 1 0 0 0 0 0 0 0 0 0 0 0 M ISO 1 1 15 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00064507 > ALDRICH > 487953 > - > - > - > - > 16280465 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.2062 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000183 > ALDRICH > V1902 > - > - > - > - > 16280465 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008659 > ALDRICH > 295035 > FLUKA > 18869 > - > - > 16280465 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 1 2 3 4 M SMT 1 CH3(CH2)2CH3 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00009424 > ALDRICH > 494402 > FLUKA > 18921 > - > - > 16280465 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 0.7120 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 1 2 3 M SMT 1 CH3CH2CH3 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00009359 > ALDRICH > 536172 > - > - > - > - > 16280465 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 -1.3450 -0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 1.0995 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -2.8439 -0.3994 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 -1.8995 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9049 0.8985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4049 0.8985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4049 -0.6004 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 3.9049 0.8985 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 2.4049 2.3984 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00190392 > ALDRICH > 488305 > - > - > - > - > 16280465 $$$$ 1 0 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 He 0 0 0 0 0 0 0 0 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011031 > ALDRICH > 295345 > FLUKA > 00488 > - > - > 16280465 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -0.9239 -1.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -0.2949 0.0000 N 1 0 0 0 0 0 0 0 0 0 0 0 1.6739 -1.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 1.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00190535 > ALDRICH > 490946 > - > - > - > - > 16280465 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -1.5735 -0.4549 0.0000 C 1 0 0 0 0 0 0 0 0 0 0 0 -0.2745 -1.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0244 -0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3234 -1.2049 0.0000 C 1 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00190283 > ALDRICH > 488313 > - > - > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.8844 -0.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4144 -0.1099 0.0000 C 1 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00083965 > ALDRICH > 489344 > - > - > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.0845 -0.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2144 0.1099 0.0000 C 1 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00083947 > ALDRICH > 492558 > - > - > - > - > 16280465 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 0.1550 0.7099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 2.2089 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -1.3439 0.7099 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -0.7899 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1.6549 0.7099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4049 2.0079 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 2.4049 -0.5889 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00084141 > ALDRICH > 489247 > - > - > - > - > 16280465 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -1.0489 -0.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 0.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5489 -0.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 1.5599 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -1.4399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD01074053 > ALDRICH > 487627 > - > - > - > - > 16280465 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 0.7120 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.2055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 1 2 3 M SMT 1 CH3CH2NH2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008160 > ALDRICH > 243191 > FLUKA > 02942 > - > - > 16280465 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -0.6504 -0.4376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 -1.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5054 -1.5056 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4737 1.5055 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7666 1.5055 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5053 -0.1083 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00066608 > ALDRICH > 374334 > - > - > - > - > 16280465 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.2070 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 2 0 0 0 1 4 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011452 > ALDRICH > 425478 > - > - > - > - > 16280465 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 -0.5339 -0.9049 0.0000 C 1 0 0 0 0 0 0 0 0 0 0 0 0.7649 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0639 -0.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00209808 > ALDRICH > 493309 > - > - > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.4111 0.0000 0.0000 Ge 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 0.0000 0.0000 Ge 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00467671 > ALDRICH > 463078 > - > - > - > - > 16280465 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 0.0899 -0.2199 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 0.4199 0.7199 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 -0.6899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0299 0.6999 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 2.3499 -0.1999 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 0.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7199 0.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 7 1 0 0 0 0 6 7 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00144292 > ALDRICH > 457833 > - > - > - > - > 16280465 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 -1.1289 -0.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 -0.1250 0.0000 C 1 0 0 0 0 0 0 0 0 0 0 0 1.4689 -0.8750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00143929 > ALDRICH > 486469 > - > - > - > - > 16280465 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.2183 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.2995 -0.9673 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2996 -0.9673 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6829 0.9673 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6864 0.9673 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00040533 > ALDRICH > 463019 > - > - > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.6904 0.0000 0.0000 O 2 0 0 0 0 0 0 0 0 0 0 0 0.6904 0.0000 0.0000 O 2 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 M ISO 1 1 18 M ISO 1 2 18 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00084251 > ALDRICH > 490474 > - > - > - > - > 16280465 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 0.0610 -1.6899 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 -0.9399 0.0000 C 1 0 0 0 0 0 0 0 0 0 0 0 2.6589 -1.6899 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 0.5600 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 -2.4400 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00144748 > ALDRICH > 493007 > - > - > - > - > 16280465 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -0.1550 0.7099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 2.2089 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -1.6539 0.7099 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 -0.7899 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1.3450 0.7099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3450 2.2089 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 2.8450 0.7099 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1.3450 -0.7899 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00084142 > ALDRICH > 489255 > - > - > - > - > 16280465 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 1.0599 0.5689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 1.8679 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 2.5599 0.5689 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 -0.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1889 -0.7299 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1.0599 -2.0289 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD01075430 > ALDRICH > 485624 > - > - > - > - > 16280465 $$$$ 8 6 0 0 0 0 0 0 0 0 1 V2000 2.0550 -0.4386 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 0.7593 -0.4386 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 -1.2596 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1.4205 0.6604 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 3.2851 -0.4558 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 4.1896 -1.3604 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 4.2708 0.5299 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 4.5907 -0.4558 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00799509 > ALDRICH > 463140 > - > - > - > - > 16280465 $$$$ 8 6 0 0 0 0 0 0 0 0 1 V2000 2.0550 -0.4386 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 0.7593 -0.4386 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 -1.2596 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1.4205 0.6604 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 3.2851 -0.4558 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 4.1896 -1.3604 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 4.2708 0.5299 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 4.5907 -0.4558 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00799509 > ALDRICH > 463132 > - > - > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.4125 0.0000 0.0000 N 0 4 0 0 0 0 0 0 0 0 0 0 0.4125 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 M RAD 1 1 2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011525 > ALDRICH > 295566 > - > - > - > - > 16280465 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 5.3318 -2.5903 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 5.3307 -1.7666 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1529 -1.7666 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 5.3015 -0.7180 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 4.5084 -1.7666 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 4.2334 -3.2234 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6445 -3.9355 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 3.5213 -3.6345 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 3.8223 -2.5113 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 6.0425 -3.2463 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6314 -3.9584 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 7.3930 -4.5935 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 6.4537 -2.5343 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 G 6 1 CD3 G 2 1 CD3 G 10 1 CD3 M STY 3 1 SUP 2 SUP 3 SUP M SLB 3 1 1 2 2 3 3 M SAL 1 4 6 7 8 9 M SBL 1 1 2 M SDI 1 4 4.4900 -2.8200 4.7000 -3.1800 M SMT 1 CD3 M SBV 1 2 1.0900 0.6400 M SAL 2 4 2 3 4 5 M SBL 2 1 1 M SDI 2 4 5.5300 -2.0300 5.1200 -2.0300 M SMT 2 CD3 M SBV 2 1 0.0000 -0.8200 M SAL 3 4 10 11 12 13 M SBL 3 1 3 M SDI 3 4 5.6600 -3.1700 5.9400 -2.8700 M SMT 3 CD3 M SBV 3 3 -0.7200 0.6600 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00145460 > ALDRICH > 463426 > - > - > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.4125 0.0000 0.0000 N 0 4 0 0 0 0 0 0 0 0 0 0 0.4125 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 M RAD 1 1 2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011525 > ALDRICH > 594296 > - > - > - > - > 16280465 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 0.7120 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.2055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 1 2 3 M SMT 1 CH3CH2NH2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008160 > ALDRICH > 301264 > FLUKA > 02942 > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.6904 0.0000 0.0000 O 2 0 0 0 0 0 0 0 0 0 0 0 0.6904 0.0000 0.0000 O 2 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 M ISO 1 1 18 M ISO 1 2 18 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00084251 > ALDRICH > 602892 > - > - > - > - > 16280465 $$$$ 1 0 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 1 1 M SMT 1 H2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00070838 > ALDRICH > 295396 > FLUKA > 00473 > - > - > 16280465 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 -0.8221 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011521 > ALDRICH > 295124 > - > - > - > - > 16280465 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 -0.0449 -1.1250 0.0000 N 1 5 0 0 0 0 0 0 0 0 0 0 -0.0449 0.3750 0.0000 N 1 3 0 0 0 0 0 0 0 0 0 0 1.2539 1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00084234 > ALDRICH > 490377 > - > - > - > - > 16280465 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 -0.4125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0596 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0596 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 3 5 1 0 0 0 3 6 1 0 0 0 1 7 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 3 4 5 6 M SBL 1 1 2 M SMT 1 CF3 M SBV 1 2 -3.2914 3.9102 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 7 8 9 10 M SBL 2 1 6 M SMT 2 ^CF3 M SBV 2 6 -4.9414 3.9102 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00039264 > ALDRICH > 405264 > - > - > - > - > 16280465 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 0.8654 -0.0649 0.0000 Ge 0 0 0 0 0 0 0 0 0 0 0 0 2.1644 0.6850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4335 0.6850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8654 -1.5649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8654 1.4349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011028 > ALDRICH > 463027 > - > - > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.4125 0.0000 0.0000 N 0 4 0 0 0 0 0 0 0 0 0 0 0.4125 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 M RAD 1 1 2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011525 > ALDRICH > 594407 > - > - > - > - > 16280465 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.7949 0.6445 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 1.9435 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 2.2949 0.6445 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 0.0449 -0.6545 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00799573 > ALDRICH > 463124 > - > - > - > - > 16280465 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 5.4098 -2.3480 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 -3.0671 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5736 -3.7792 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 3.4504 -3.4782 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 3.7514 -2.3550 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 6.1219 -3.0413 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7108 -3.7534 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 7.2973 -3.6885 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 6.5330 -2.3292 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 G 2 1 CD3 G 6 1 CD3 M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 4 2 3 4 5 M SBL 1 1 4 M SDI 1 4 4.4700 -2.6400 4.6700 -3.0000 M SMT 1 CD3 M SBV 1 4 1.2500 0.7200 M SAL 2 4 6 7 8 9 M SBL 2 1 3 M SDI 2 4 5.7300 -2.9500 6.0200 -2.6500 M SMT 2 CD3 M SBV 2 3 -0.7200 0.6900 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00084136 > ALDRICH > 486558 > - > - > - > - > 16280465 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.5622 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 0.5622 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 0.5622 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 3 2 1 0 2 4 1 0 2 5 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000779 > ALDRICH > 295256 > - > - > - > - > 16280465 $$$$ 1 0 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 Ar 0 0 0 0 0 0 0 0 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003431 > ALDRICH > 295000 > FLUKA > 98586 > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.2744 -1.9699 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0244 -1.2200 0.0000 C 1 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00083926 > ALDRICH > 488542 > - > - > - > - > 16280465 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -0.2055 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6166 -0.7120 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6166 0.7120 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 1 2 3 4 M SMT 1 CHF3 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000446 > ALDRICH > 295337 > - > - > - > - > 16280465 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -0.0000 -0.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 -1.2029 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -1.2029 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.2029 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000825 > ALDRICH > 295213 > - > - > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.4111 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 1 2 M SMT 1 SiH3SiH3 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00054678 > ALDRICH > 463043 > - > - > - > - > 16280465 $$$$ 3 3 0 0 0 0 0 0 0 0 1 V2000 -0.4125 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 3 2 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001268 > ALDRICH > 295183 > - > - > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.7500 0.0000 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 0.0000 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00064812 > ALDRICH > 617474 > - > - > - > - > 16280465 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 2.8547 -0.8055 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 3.2790 -0.3812 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 3.7033 -0.8055 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 3.7033 0.0430 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 2.8547 0.0430 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00145280 > ALDRICH > 463116 > - > - > - > - > 16280465 $$$$ 1 0 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011435 > ALDRICH > 295647 > - > - > - > - > 16280465 $$$$ 1 0 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011324 > ALDRICH > 295426 > FLUKA > 26612 > - > - > 16280465 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -0.4111 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2332 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2332 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 5 6 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 1 2 3 4 5 6 M SMT 1 CF3CN M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00039478 > ALDRICH > 544078 > - > - > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.7500 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 0.0000 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00044642 > ALDRICH > 488682 > - > - > - > - > 16280465 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 6.1385 -6.3426 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3135 -6.3426 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7260 -7.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7322 -6.9240 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7219 -5.7593 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7302 -5.7593 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7219 -6.9260 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3032 -6.3447 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3032 -7.5073 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1406 -7.5073 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 1 7 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 G 7 1 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 7 8 9 10 M SBL 1 1 4 M SDI 1 4 6.3700 -6.8700 6.6700 -6.5800 M SMT 1 CF3 M SBV 1 4 -0.5900 0.5800 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00005125 > ALDRICH > 323640 > - > - > - > - > 16280465 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 1.5462 0.0985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7184 0.1000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7184 -0.7222 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -0.1038 0.1000 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 0.7184 0.9222 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 2.6150 0.1000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6150 0.9222 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 3.4372 0.1000 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 2.6150 -0.7222 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 G 2 1 CD3 G 6 1 CD3 M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 4 2 3 4 5 M SBL 1 1 3 M SDI 1 4 0.9900 0.3100 0.9900 -0.1000 M SMT 1 CD3 M SBV 1 3 0.8300 0.0000 M SAL 2 4 6 7 8 9 M SBL 2 1 4 M SDI 2 4 2.2500 -0.1000 2.2500 0.3100 M SMT 2 CD3 M SBV 2 4 -1.0700 0.0000 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD01325016 > ALDRICH > 488879 > - > - > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.5121 -0.0009 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 0.5121 0.0009 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD01310566 > ALDRICH > 463051 > - > - > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.4111 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 1 2 M SMT 1 O2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011434 > ALDRICH > 295604 > FLUKA > 84595 > - > - > 16280465 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.2070 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00058727 > ALDRICH > 463094 > - > - > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.1645 -0.6250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1344 0.1250 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD04126430 > ALDRICH > 488690 > - > - > - > - > 16280465 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -0.2601 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2601 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.9746 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5834 -0.8434 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.9746 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 3 8 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00153226 > ALDRICH > 411078 > - > - > - > - > 16280465 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.8954 -0.9399 0.0000 N 1 0 0 0 0 0 0 0 0 0 0 0 2.1944 -1.6899 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -0.4035 -1.6899 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 0.8954 0.5600 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00084113 > ALDRICH > 485373 > - > - > - > - > 16280465 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8221 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 1 2 3 4 5 M SMT 1 CF4 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000371 > ALDRICH > 295736 > - > - > - > - > 16280465 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 0.5949 0.7099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5949 2.2089 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -0.9039 0.7099 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 0.5949 -0.7899 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 2.0950 0.7099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00084157 > ALDRICH > 486892 > - > - > - > - > 16280465 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 0.1499 1.5575 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 0.5899 0.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -0.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8139 0.3244 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -0.4370 -1.0674 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 0.9549 -0.6904 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1.6100 0.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1199 1.6794 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 2.1199 -0.0854 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00084176 > ALDRICH > 455687 > - > - > - > - > 16280465 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 -2.1579 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8589 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4399 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7390 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0379 0.5000 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -3.4569 -0.2500 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -2.1579 2.0000 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -0.8589 -1.7500 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 0.4399 2.0000 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1.7390 -1.7500 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 3 4 2 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00142516 > ALDRICH > 487228 > - > - > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.7500 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 0.0000 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00044232 > ALDRICH > 486515 > - > - > - > - > 16280465 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 -0.0000 0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5834 -0.5891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5834 0.5891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 2 0 0 0 M ISO 1 1 12 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00198158 > ALDRICH > 422606 > - > - > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.7500 0.0000 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 0.0000 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00064812 > ALDRICH > 368407 > - > - > - > - > 16280465 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -0.3789 -1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9199 -0.3599 0.0000 C 1 0 0 0 0 0 0 0 0 0 0 0 2.2189 -1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9199 1.1399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD01073831 > ALDRICH > 487015 > - > - > - > - > 16280465 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 0.7649 0.7099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7649 2.2089 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -0.7339 0.7099 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 0.7649 -0.7899 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 2.2649 0.7099 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00084145 > ALDRICH > 486663 > - > - > - > - > 16280465 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.2055 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.2055 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 1 2 3 M SMT 1 CH2F2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00039283 > ALDRICH > 318043 > - > - > - > - > 16280465 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -1.2839 -0.5450 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 0.0149 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3139 -0.5450 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0149 1.7049 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 0.0149 -1.2949 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00084130 > ALDRICH > 488550 > - > - > - > - > 16280465 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 0.8899 -0.0399 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 1.2580 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 2.3899 -0.0399 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00084132 > ALDRICH > 486523 > - > - > - > - > 16280465 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 0.8899 0.7099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8899 2.2089 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -0.6089 0.7099 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 0.8899 -0.7899 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 2.3899 0.7099 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00084155 > ALDRICH > 490245 > - > - > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.7500 0.0000 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 0.0000 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00064812 > ALDRICH > 361860 > - > - > - > - > 16280465 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 0.4111 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2361 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4139 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4139 -0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2361 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4139 0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 1 3 1 0 0 0 3 4 1 0 0 0 3 5 1 0 0 0 3 6 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00041552 > ALDRICH > 544086 > - > - > - > - > 16280465 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 0.5895 0.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9104 0.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3364 -0.9166 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0153 0.9166 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3364 -0.7315 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3364 0.9166 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000822 > ALDRICH > 295167 > - > - > - > - > 16280465 $$$$ 1 0 0 0 0 0 0 0 0 0 1 V2000 0.0299 -0.2349 0.0000 C 1 0 0 0 0 0 0 0 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00074796 > ALDRICH > 490229 > - > - > - > - > 16280465 $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 5.1404 -2.5599 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1404 -1.7376 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 5.1404 -3.5311 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 4.4260 -2.9724 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8371 -3.6844 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 3.7139 -3.3835 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 4.0149 -2.2603 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -3.0669 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8306 -3.9415 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 6.8921 -3.3767 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 6.2611 -2.3548 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 1 4 1 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 G 4 1 CD3 G 8 1 CD3 M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 4 4 5 6 7 M SBL 1 1 5 M SDI 1 4 4.5500 -2.6500 4.7600 -3.0100 M SMT 1 CD3 M SBV 1 5 0.7100 0.4200 M SAL 2 4 8 9 10 11 M SBL 2 1 1 M SDI 2 4 5.4900 -3.0600 5.7300 -2.7200 M SMT 2 CD3 M SBV 2 1 -0.7200 0.5100 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00084174 > ALDRICH > 490601 > - > - > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.4111 0.0000 0.0000 C 1 5 0 0 0 0 0 0 0 0 0 0 0.4111 0.0000 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 M ISO 1 1 13 M CHG 1 1 -1 M CHG 1 2 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00064502 > ALDRICH > 388505 > - > - > - > - > 16280465 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -0.6289 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 0.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9689 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 1.8449 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 -1.1549 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD01074085 > ALDRICH > 493317 > - > - > - > - > 16280465 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 0.7049 0.7099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7049 2.2089 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -0.7939 0.7099 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 0.7049 -0.7899 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 2.2049 0.7099 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00045040 > ALDRICH > 488291 > - > - > - > - > 16280465 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -2.9798 1.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0552 1.0646 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6441 0.3526 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -4.7673 0.6535 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -4.4663 1.7767 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -2.2688 1.0188 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6799 0.3067 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -0.9392 0.3007 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -1.8577 1.7308 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 G 1 0 CD3CH2CD3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 9 1 2 3 4 5 6 7 8 9 M SMT 1 CD3CH2CD3 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00190501 > ALDRICH > 490598 > - > - > - > - > 16280465 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 0.6503 -0.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6504 0.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5053 0.7026 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7665 -2.3166 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4738 -2.3166 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5054 -0.6945 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4737 2.3166 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7666 2.3166 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000428 > ALDRICH > 295361 > - > - > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.7978 0.0000 0.0000 N 1 0 0 0 0 0 0 0 0 0 0 0 0.7978 0.0000 0.0000 N 1 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 M ISO 1 1 15 M ISO 1 2 15 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00084232 > ALDRICH > 364584 > - > - > - > - > 16280465 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.2062 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2063 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0553 0.9207 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7697 0.9207 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7697 -0.9207 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0553 -0.9207 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 3 5 1 0 0 0 3 6 1 0 0 0 2 7 1 0 0 0 2 8 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000778 > ALDRICH > 295248 > - > - > - > - > 16280465 $$$$ 1 0 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011323 > ALDRICH > 295418 > FLUKA > 18703 > - > - > 16280465 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 1 2 3 4 5 6 M SMT 1 CH3(CH2)4CH3 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00009520 > ALDRICH > 227064 > - > - > - > - > 16280465 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1822 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4678 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1822 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 1 3 1 0 0 0 4 3 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00039944 > ALDRICH > 633755 > - > - > - > - > 16280465 $$$$ 14 13 0 0 0 0 0 0 0 0 1 V2000 -2.1697 1.2480 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4553 1.6604 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1697 2.0729 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -2.1697 0.4229 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -1.4553 2.4855 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -1.4553 0.8355 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -2.8842 1.6605 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2967 0.9460 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -3.5987 2.0730 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -3.1050 2.5124 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -0.7408 1.2480 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3283 1.9624 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -0.0263 0.8355 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -0.8283 0.3501 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 2 11 1 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 1 7 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 G 7 1 CD3 G 1 0 CD3(CD2)2CD3 G 11 2 CD3 M STY 3 1 SUP 2 SUP 3 SUP M SLB 3 1 1 2 2 3 3 M SAL 1 4 7 8 9 10 M SBL 1 1 10 M SDI 1 4 -2.8800 1.5100 -3.0900 1.1500 M SMT 1 CD3 M SBV 1 10 0.7100 -0.4200 M SAL 2 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14 M SMT 2 CD3(CD2)2CD3 M SAL 3 4 11 12 13 14 M SBL 3 1 1 M SDI 3 4 -1.4300 1.0100 -1.2200 1.3700 M SMT 3 CD3 M SBV 3 1 -0.7100 0.4200 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00144856 > ALDRICH > 488348 > - > - > - > - > 16280465 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 3 2 2 0 4 3 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00064458 > ALDRICH > 295086 > - > - > - > - > 16280465 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 5.1936 -3.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7132 -3.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2328 -3.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7524 -3.3229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2328 -2.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7132 -3.9229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 3 5 1 0 0 0 0 2 6 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00009294 > ALDRICH > 400890 > - > - > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.4594 -0.5649 0.0000 C 1 0 0 0 0 0 0 0 0 0 0 0 0.8394 0.1850 0.0000 C 1 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00083966 > ALDRICH > 489352 > - > - > - > - > 16280465 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -0.7132 -0.6173 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000365 > ALDRICH > 176257 > - > - > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.4111 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 1 2 M SMT 1 Cl2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00010934 > ALDRICH > 295132 > FLUKA > 22752 > - > - > 16280465 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -1.0499 -0.0149 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1199 -0.0149 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1199 0.7948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1199 -0.7948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0499 -0.0149 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 5 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011607 > ALDRICH > 437999 > - > - > - > - > 16280465 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 1.2799 -0.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 1.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9689 1.2580 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00084140 > ALDRICH > 489239 > - > - > - > - > 16280465 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.1328 0.7195 0.0000 N 1 3 0 0 0 0 0 0 0 0 0 0 -1.8448 0.3084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 0.3084 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2995 1.1195 0.0000 N 1 3 0 0 0 0 0 0 0 0 0 0 0.2995 1.9416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0115 0.7084 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 1 4 1 0 0 0 0 M CHG 4 1 1 3 -1 4 1 6 -1 M ISO 2 1 15 4 15 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00084233 > ALDRICH > 486922 > - > - > - > - > 16280465 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.7949 0.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 1.9074 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 2.2949 0.6094 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -0.6894 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00084154 > ALDRICH > 486868 > - > - > - > - > 16280465 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -1.9335 -1.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6345 -0.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6644 -1.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9635 -0.2949 0.0000 C 1 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00190282 > ALDRICH > 488321 > - > - > - > - > 16280465 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 0.7049 -0.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0439 1.2580 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 2.2049 -0.0399 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00144749 > ALDRICH > 486841 > - > - > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 1.5149 -0.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 1.2580 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00084153 > ALDRICH > 490237 > - > - > - > - > 16280465 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -0.6166 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2055 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6166 0.7120 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 1 2 3 4 M SMT 1 CH3CHF2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000449 > ALDRICH > 295264 > - > - > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.6460 0.0000 0.0000 N 1 0 0 0 0 0 0 0 0 0 0 0 0.6460 0.0000 0.0000 O 2 3 0 0 0 0 0 0 0 0 0 0 1 2 3 0 M CHG 1 2 1 M ISO 2 1 15 2 18 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00084229 > ALDRICH > 486108 > - > - > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.4111 0.0000 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 0.4111 0.0000 0.0000 O 2 3 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 M ISO 1 2 18 M CHG 1 1 -1 M CHG 1 2 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 1 2 M SMT 1 C18O M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00083861 > ALDRICH > 609706 > - > - > - > - > 16280465 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5814 0.5814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5814 0.5814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5814 -0.5814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5814 -0.5814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 1 2 3 4 5 M SMT 1 CH4 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008279 > ALDRICH > 490210 > FLUKA > 64252 > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.4111 0.0000 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 0.4111 0.0000 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 M ISO 1 1 12 M CHG 1 1 -1 M CHG 1 2 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 1 2 M SMT 1 12CO M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00198151 > ALDRICH > 418072 > - > - > - > - > 16280465 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 5.1936 -3.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7132 -3.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2328 -3.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7524 -3.3229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2328 -2.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7132 -3.9229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 3 5 1 0 0 0 0 2 6 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00009294 > ALDRICH > 295078 > - > - > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.4111 0.0000 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 0.4111 0.0000 0.0000 O 2 3 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 M ISO 1 2 18 M CHG 1 1 -1 M CHG 1 2 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 1 2 M SMT 1 C18O M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00083861 > ALDRICH > 607177 > - > - > - > - > 16280465 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.1212 1.4653 0.0000 C 1 5 0 0 0 0 0 0 0 0 0 0 -0.1299 -0.1893 0.0000 O 2 3 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 0 M CHG 2 1 -1 2 1 M ISO 2 1 13 2 18 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00083915 > ALDRICH > 607142 > - > - > - > - > 16280465 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 4.4792 -2.5042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4792 -3.3263 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 3.6571 -2.5042 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -1.6821 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 5.3013 -2.5042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 G 1 0 CD3SH M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 1 2 3 4 5 M SDI 1 4 3.0800 -3.8300 3.0800 -1.1400 M SMT 1 CD3SH M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00190477 > ALDRICH > 614904 > - > - > - > - > 16280465 $$$$ 1 0 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011228 > ALDRICH > 333891 > - > - > - > - > 16280465 $$$$ 1 0 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011418 > ALDRICH > 294993 > FLUKA > 09684 > - > - > 16280465 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 -2.2415 0.6254 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.3084 0.0124 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8972 -0.6997 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -4.0204 -0.3987 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -3.7195 0.7245 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -2.2426 1.4497 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4204 1.4497 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -2.3760 2.7774 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -3.0648 1.4497 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -1.5323 0.0955 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9434 -0.6166 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -0.5309 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -1.1212 0.8076 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 1 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 G 6 1 CD3 G 2 1 CD3 G 10 1 CD3 M STY 3 1 SUP 2 SUP 3 SUP M SLB 3 1 1 2 2 3 3 M SAL 1 4 6 7 8 9 M SBL 1 1 3 M SDI 1 4 -2.0500 1.1800 -2.4500 1.1800 M SMT 1 CD3 M SBV 1 3 0.0000 -0.8200 M SAL 2 4 2 3 4 5 M SBL 2 1 1 M SDI 2 4 -3.0700 0.4000 -2.8600 0.0500 M SMT 2 CD3 M SBV 2 1 1.0700 0.6100 M SAL 3 4 10 11 12 13 M SBL 3 1 2 M SDI 3 4 -1.9000 0.1200 -1.6500 0.4400 M SMT 3 CD3 M SBV 3 2 -0.7100 0.5300 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00145458 > ALDRICH > 486221 > - > - > - > - > 16280465 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.4054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2985 -1.1563 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -1.2985 -1.1563 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.1563 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00051052 > ALDRICH > 422975 > - > - > - > - > 16280465 $$$$