10 9 0 0 0 0 0 0 0 0 1 V2000 6.8725 -6.4231 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 5.5318 -5.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9788 -6.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7664 -6.4231 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.8725 -7.3168 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.8725 -5.5291 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6808 -5.6639 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6808 -6.4861 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8586 -5.6639 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6808 -4.8416 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 0 0 0 0 1 3 1 0 0 0 0 2 3 1 0 0 0 0 1 4 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 2 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 7 8 9 10 M SBL 1 1 3 M SDI 1 4 4.9600 -5.4500 4.9600 -5.8600 M SMT 1 CF3 M SBV 1 3 0.8500 0.0000 M SDS EXP 1 1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00013602 > ALDRICH > 452807 > - > - > - > - > 16279657 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.5163 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.7516 1.8145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7475 1.8145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1414 -0.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1413 -0.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1414 -1.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0978 0.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1413 -1.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0978 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0978 -1.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0543 -0.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0978 -1.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0543 -0.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0543 -1.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0543 -1.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 2 0 0 0 0 8 12 1 0 0 0 0 9 13 2 0 0 0 0 10 14 2 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 13 15 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000489 > ALDRICH > 440124 > FLUKA > 42930 > - > - > 16279657 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -1.1975 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.1975 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.0225 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1975 -0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1209 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5935 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0225 0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 8 7 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00039291 > ALDRICH > 437808 > FLUKA > 18262 > - > - > 16279657 $$$$ 18 17 0 0 0 0 0 0 0 0 1 V2000 -1.1563 -0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.7452 -0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7452 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7452 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0798 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1563 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8683 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4443 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5702 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3924 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5702 -0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5702 0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.9813 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3924 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3924 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1563 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4443 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8683 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 1 13 1 0 0 0 1 16 1 0 0 0 1 5 1 0 0 0 2 3 2 0 0 0 2 4 2 0 0 0 2 9 1 0 0 0 2 5 1 0 0 0 6 7 1 0 0 0 6 8 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 13 14 1 0 0 0 13 15 1 0 0 0 16 17 1 0 0 0 16 18 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009913 > ALDRICH > 248460 > FLUKA > 07048 > - > - > 16279657 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -0.4830 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5935 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 6 5 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000875 > ALDRICH > 87406 > FLUKA > 25117 > - > - > 16279657 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 5.5186 -3.1604 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0364 -2.8615 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 6.3364 -2.3418 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.5560 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7364 -2.3418 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9990 -2.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4793 -3.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4793 -3.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9990 -4.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5186 -3.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 1 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00046333 > ALDRICH > 29462 > - > - > - > - > 16279657 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 2.0249 1.1299 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0249 -0.5500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0249 0.2899 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.4049 0.2899 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 0.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2849 0.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8729 0.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2849 -1.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00053185 > ALDRICH > 461148 > - > - > - > - > 16279657 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -0.3682 -0.2035 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.9308 -0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2297 -1.2738 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4871 1.2738 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2234 1.2738 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2297 -0.2035 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000873 > ALDRICH > 254436 > FLUKA > 77829 > - > - > 16279657 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 0.2867 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.2867 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5383 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2867 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3633 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3633 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5383 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5383 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 3 6 1 0 0 0 3 7 1 0 0 0 3 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000501 > ALDRICH > 190500 > FLUKA > 77205 > - > - > 16279657 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -0.3313 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3313 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.3313 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1563 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7452 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1563 0.7120 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 2 5 1 0 0 0 5 6 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000874 > ALDRICH > 291501 > - > - > - > - > 16279657 $$$$ 17 16 0 0 0 0 0 0 0 0 1 V2000 1.1250 -1.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1739 -0.4516 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.6389 -1.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3877 -1.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -0.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3197 0.2091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3005 -1.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1739 0.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3761 -1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6389 -2.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3165 1.4602 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5664 1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9229 2.5071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3761 1.4602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 1.4282 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1132 2.6539 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 2.6539 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 6 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 11 14 2 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00012174 > ALDRICH > 91747 > - > - > - > - > 16279657 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -0.4830 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5935 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 6 5 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000875 > ALDRICH > 226181 > FLUKA > 25117 > - > - > 16279657 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 5.7532 -2.8867 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 5.7532 -3.7748 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.7978 -2.8450 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7532 -1.9586 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3745 -3.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8311 -2.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6772 -2.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7870 -2.8408 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 1 2 1 0 0 0 0 7 8 3 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00039493 > FLUKA > 28470 > - > - > - > - > 16279657 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -1.8437 -0.0005 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1281 0.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3031 0.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0187 -0.0005 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.0187 0.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0187 -0.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8437 -0.0005 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 5 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00042612 > ALDRICH > 26230 > - > - > - > - > 16279657 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -1.1975 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.1975 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.0225 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1975 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1209 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5935 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0225 0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 8 7 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000996 > ALDRICH > 307297 > - > - > - > - > 16279657 $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 -0.1258 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.1258 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1258 -0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9508 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9508 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7729 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9508 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9508 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9508 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7729 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9508 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 8 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 4 5 1 0 0 0 4 6 1 0 0 0 4 7 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008796 > ALDRICH > 287660 > FLUKA > 34680 > - > - > 16279657 $$$$ 12 11 0 0 0 0 0 0 0 0 1 V2000 -0.3313 2.0795 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.3313 2.9045 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1563 2.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3313 1.2545 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7452 2.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1563 1.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7452 0.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1563 -0.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7452 -0.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1563 -1.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7452 -2.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1563 -2.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00042606 > ALDRICH > 376086 > - > - > - > - > 16279657 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 0.7000 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6375 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3792 1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4458 1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0333 -0.1417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0333 -0.9667 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 1.4125 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4167 0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0333 -1.7917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7917 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8583 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 6 1 0 0 0 0 10 3 1 0 0 0 0 11 4 1 0 0 0 0 12 6 1 0 0 0 0 13 6 1 0 0 0 0 2 3 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00674029 > ALDRICH > 455881 > - > - > - > - > 16279657 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 -1.0305 -0.3560 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.8555 -0.3560 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0305 -1.1810 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0305 0.4690 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2055 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2055 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0305 0.3560 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.0305 1.1810 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0305 -0.4690 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8555 0.3560 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00013601 > FLUKA > 15207 > - > - > - > - > 16279657 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.4020 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.2994 1.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.7310 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0426 -0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0426 -0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0426 -1.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9163 0.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0426 -1.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9163 0.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9163 -1.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7901 -0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9163 -1.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7901 -0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7901 -1.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7901 -1.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 2 0 0 0 0 8 12 1 0 0 0 0 9 13 2 0 0 0 0 10 14 2 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 13 15 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000498 > ALDRICH > 104760 > FLUKA > 43120 > - > - > 16279657 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 1.4243 0.0654 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4243 -1.6144 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4243 -0.7743 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.3843 -0.7743 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3755 -0.7743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3144 0.4194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6943 0.4194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3843 1.6144 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00013694 > FLUKA > 26251 > - > - > - > - > 16279657 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 -0.1726 0.6433 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.9749 -0.3224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9689 0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1726 1.7396 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6775 -0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4874 -1.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9749 0.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6713 0.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9689 -0.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6775 -0.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010755 > ALDRICH > 296937 > FLUKA > 34650 > - > - > 16279657 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -3.8320 -0.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5330 0.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 -0.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0649 0.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3639 -0.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6629 0.4350 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.9620 -0.3149 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6629 1.9349 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6629 -1.0649 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000487 > ALDRICH > 679194 > - > - > - > - > 16279657 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 0.9459 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.9459 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1209 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9459 -0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0225 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5935 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0225 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 6 3 1 0 0 0 7 6 1 0 0 0 8 7 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00013605 > ALDRICH > 679224 > - > - > - > - > 16279657 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 0.6814 -0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6175 -0.2035 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.4178 -0.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4788 -1.2738 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2332 1.2738 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4726 1.2738 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4789 -1.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00013603 > FLUKA > 82466 > - > - > - > - > 16279657 $$$$ 6 6 0 0 0 0 0 0 0 0 1 V2000 0.0292 -0.1167 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 0.7917 0.1958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 5 3 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00191926 > ALDRICH > 411582 > - > - > - > - > 16279657 $$$$ 18 19 0 0 0 0 0 0 0 0 1 V2000 0.2867 0.8250 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.5383 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2867 1.6500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2867 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3633 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9508 1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7758 1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1883 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7758 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9508 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4277 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4277 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2867 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0012 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0012 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3633 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3633 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1883 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 2 6 2 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 2 1 0 0 0 4 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 4 1 0 0 0 5 16 1 0 0 0 5 17 1 0 0 0 5 18 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000497 > ALDRICH > 195537 > FLUKA > 19938 > - > - > 16279657 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 0.0798 0.0007 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.0798 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7452 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0798 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1563 0.0007 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1563 -0.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1563 0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7942 -1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7918 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 3 6 1 0 0 0 3 7 1 0 0 0 8 4 1 0 0 0 2 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00191631 > ALDRICH > 476854 > - > - > - > - > 16279657 $$$$ 15 14 0 0 0 0 0 0 0 0 1 V2000 0.5761 -0.2048 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.5761 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2489 -0.2048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5761 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9634 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9634 1.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 -1.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6526 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6526 -1.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6526 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4748 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6779 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8914 -1.0017 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4748 -0.4183 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0889 0.5072 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 8 1 0 0 0 5 3 1 0 0 0 12 5 1 0 0 0 5 6 2 0 0 0 3 7 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 12 13 1 0 0 0 12 14 1 0 0 0 12 15 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009671 > ALDRICH > 394882 > FLUKA > 19915 > SIGMA > B5763 > 16279657 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 5.3187 -3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9187 -3.1583 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 6.2177 -2.6405 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2177 -3.6761 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.5187 -3.1583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000481 > ALDRICH > 679208 > FLUKA > 69452 > - > - > 16279657 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.2055 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0305 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 3 6 1 0 0 0 3 7 1 0 0 0 7 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000507 > ALDRICH > 235067 > FLUKA > 90383 > - > - > 16279657 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000491 > ALDRICH > 40140 > FLUKA > 40150 > SUPELCO > 33009 > 16279657 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000491 > ALDRICH > 440272 > FLUKA > 40150 > SUPELCO > 33009 > 16279657 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -1.0277 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2055 0.8221 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2055 -0.8221 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2055 -0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0277 0.7120 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0277 -0.7120 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 2 4 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 5 7 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00045246 > ALDRICH > 446459 > - > - > - > - > 16279657 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.8402 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.8402 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8402 -0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6652 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2363 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9508 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6652 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD02683485 > ALDRICH > 531626 > - > - > - > - > 16279657 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.3043 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.5178 -0.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5178 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5178 0.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000495 > ALDRICH > 144207 > FLUKA > 39900 > - > - > 16279657 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 2.3722 -0.4426 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0397 0.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7847 0.8270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9597 0.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7048 0.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0397 0.8970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4563 0.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7418 -0.0988 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.8984 0.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4563 1.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0397 -0.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7418 -1.1387 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8984 -0.5973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 7 6 1 0 8 7 1 0 9 8 1 0 7 10 1 0 7 11 1 0 8 12 1 0 8 13 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > A_____214760 > ALDRICH > 214760 > - > - > - > - > 16279657 $$$$ 16 16 0 0 0 0 0 0 0 0 1 V2000 -0.8925 -0.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8925 0.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6069 1.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3214 0.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3214 -0.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6069 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 1.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5365 0.7663 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2509 1.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5365 -0.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2485 -0.4669 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.6595 0.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9605 -0.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8374 -1.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6094 0.9733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3214 0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 7 2 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 8 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 11 14 1 0 0 0 9 15 1 0 0 0 15 16 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 11 12 13 14 M SBL 1 1 11 M SMT 1 TMS M SBV 1 11 -5.7234 6.2764 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 15 16 M SBL 2 1 15 M SMT 2 OCH3 M SBV 2 15 -6.0770 6.4819 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00674005 > ALDRICH > 420697 > - > - > - > - > 16279657 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 0.7145 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5395 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 6 5 1 0 0 0 7 6 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01321235 > ALDRICH > 456470 > - > - > - > - > 16279657 $$$$ 15 14 0 0 0 0 0 0 0 0 1 V2000 0.5761 -0.2048 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.5761 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2489 -0.2048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5761 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9634 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9634 1.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 -1.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6526 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6526 -1.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6526 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4748 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6779 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8914 -1.0017 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4748 -0.4183 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0889 0.5072 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 8 1 0 0 0 5 3 1 0 0 0 12 5 1 0 0 0 5 6 2 0 0 0 3 7 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 12 13 1 0 0 0 12 14 1 0 0 0 12 15 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009671 > ALDRICH > 242055 > FLUKA > 19915 > SIGMA > B5763 > 16279657 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 0.6949 0.7773 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.6949 1.6174 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8948 0.7773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5049 1.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 0.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5049 -0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4348 -0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8948 0.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4348 1.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6949 0.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4950 -0.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4950 -1.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6949 -1.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -1.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -0.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 10 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 10 15 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00045144 > ALDRICH > 673935 > - > - > - > - > 16279657 $$$$ 12 11 0 0 0 0 0 0 0 0 1 V2000 0.9447 -0.2048 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.9447 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1197 -0.2048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9447 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0212 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5948 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5948 1.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0931 -0.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3092 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8982 -0.9168 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0212 -0.6159 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7203 0.5072 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 6 3 1 0 0 0 6 7 2 0 0 0 3 8 1 0 0 0 6 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 8 M SMT 1 ^CF3 M SBV 1 8 -8.6729 3.5077 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000411 > ALDRICH > 394866 > FLUKA > 69479 > SIGMA > M7891 > 16279657 $$$$ 25 24 0 0 0 0 0 0 0 0 1 V2000 0.2867 0.4111 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.3633 0.4111 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3633 -0.4139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3633 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5383 0.4111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1883 0.4111 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1883 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1883 -0.4139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3633 0.4111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0104 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0104 -0.4111 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1883 0.4111 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0104 1.2332 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1883 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1883 -0.4111 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0104 0.4111 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1883 1.2332 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2867 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1089 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2867 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5354 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2867 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1089 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2867 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5354 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 1 9 1 0 0 0 2 3 2 0 0 0 2 4 2 0 0 0 2 5 1 0 0 0 6 7 2 0 0 0 6 8 2 0 0 0 6 9 1 0 0 0 6 10 1 0 0 0 10 11 1 0 0 0 10 12 1 0 0 0 10 13 1 0 0 0 2 14 1 0 0 0 14 15 1 0 0 0 14 16 1 0 0 0 14 17 1 0 0 0 1 18 1 0 0 0 18 19 1 0 0 0 18 20 1 0 0 0 18 21 1 0 0 0 1 22 1 0 0 0 22 23 1 0 0 0 22 24 1 0 0 0 22 25 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 10 11 12 13 M SBL 1 1 9 M SMT 1 CF3 M SBV 1 9 -7.2732 5.4814 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 14 15 16 17 M SBL 2 1 13 M SMT 2 ^CF3 M SBV 2 13 -8.9203 5.4814 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 18 19 20 21 M SBL 3 1 17 M SMT 3 t-Bu M SBV 3 17 -8.0953 5.4814 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 4 22 23 24 25 M SBL 4 1 21 M SMT 4 t-Bu M SBV 4 21 -8.0953 4.6564 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010581 > ALDRICH > 262021 > - > - > - > - > 16279657 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 0.5639 0.4106 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.8642 -0.3370 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1614 1.4425 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0304 1.4425 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3435 -0.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3435 -0.9985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1038 0.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1038 -1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8642 -0.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8642 -0.9985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 10 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00021280 > ALDRICH > 391069 > - > - > - > - > 16279657 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 8.2000 6.6125 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 8.2000 5.0417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.5542 7.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8375 7.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2000 8.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9167 6.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2792 7.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 6 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00039301 > FLUKA > 41533 > - > - > - > - > 16279657 $$$$ 14 13 0 0 0 0 0 0 0 0 1 V2000 3.0839 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.0839 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0839 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1604 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.1604 -0.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4324 0.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7376 -0.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0096 0.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3148 -0.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5868 0.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1081 -0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8360 0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5309 -0.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2589 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 14 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00054168 > ALDRICH > 30695 > - > - > - > - > 16279657 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.1510 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.5635 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.5635 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 3 6 1 0 0 0 3 7 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000493 > ALDRICH > 373583 > FLUKA > 32120 > - > - > 16279657 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.1510 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.5635 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.5635 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 3 6 1 0 0 0 3 7 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000493 > ALDRICH > 274208 > FLUKA > 32120 > - > - > 16279657 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -1.1117 -0.1815 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.2981 -0.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1117 0.8183 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1117 -1.2444 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1746 -0.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1144 0.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9396 0.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3524 1.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1746 1.2444 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 2 6 1 0 7 6 1 0 7 8 1 0 8 9 3 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 8 9 M SBL 1 1 7 M SMT 1 CN M SBV 1 7 -16.4272 10.2890 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00019889 > ALDRICH > 28556 > - > - > - > - > 16279657 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 0.3007 -0.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4137 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0152 0.1512 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.0152 -0.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0152 0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8402 0.1512 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1282 -0.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7171 -0.9733 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8402 -0.6724 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5393 0.4507 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 4 3 1 0 3 5 1 0 3 6 1 0 2 7 1 0 7 8 1 0 7 9 1 0 7 10 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 7 8 9 10 M SBL 1 1 6 M SMT 1 ^CF3 M SBV 1 6 0.7145 0.4125 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00053211 > ALDRICH > 41715 > - > - > - > - > 16279657 $$$$ 12 11 0 0 0 0 0 0 0 0 1 V2000 0.9447 -0.2048 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.9447 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1197 -0.2048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9447 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0212 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5948 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5948 1.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0931 -0.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3092 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8982 -0.9168 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0212 -0.6159 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7203 0.5072 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 6 3 1 0 0 0 6 7 2 0 0 0 3 8 1 0 0 0 6 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 8 M SMT 1 ^CF3 M SBV 1 8 -8.6729 3.5077 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000411 > ALDRICH > 242101 > FLUKA > 69479 > SIGMA > M7891 > 16279657 $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.5763 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 -1.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 -1.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8616 0.4985 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0353 -0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0353 -0.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7364 1.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0918 -1.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0918 -1.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7928 0.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000508 > ALDRICH > 254452 > FLUKA > 93250 > - > - > 16279657 $$$$ 16 15 0 0 0 0 0 0 0 0 1 V2000 -4.0554 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -4.0554 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.8804 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.0554 -0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.9788 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2643 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5499 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8354 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1209 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5935 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0225 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7370 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4514 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1659 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8804 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 10 9 1 0 0 0 11 10 1 0 0 0 12 11 1 0 0 0 13 12 1 0 0 0 14 13 1 0 0 0 15 14 1 0 0 0 16 15 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000483 > ALDRICH > 44230 > FLUKA > 44235 > - > - > 16279657 $$$$ 12 11 0 0 0 0 0 0 0 0 1 V2000 -0.9493 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.9493 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9493 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9522 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9522 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9522 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1272 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7743 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7743 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7743 -0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9522 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7743 0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 8 1 0 0 0 1 3 1 0 0 0 1 7 1 0 0 0 4 5 2 0 0 0 4 6 2 0 0 0 4 7 1 0 0 0 4 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 8 M SMT 1 CF3 M SBV 1 8 -5.2866 4.6406 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000406 > ALDRICH > 225649 > FLUKA > 70729 > - > - > 16279657 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 0.8250 -0.2048 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.6202 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4726 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9016 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1871 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9016 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1871 1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -0.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4726 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 6 3 1 0 0 0 7 6 1 0 0 0 6 8 1 0 0 0 3 9 1 0 0 0 3 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00012175 > ALDRICH > 302449 > FLUKA > 88329 > - > - > 16279657 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 1.1792 -0.1542 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 2.2292 -0.1542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 0.8958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 6 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00013608 > ALDRICH > 68940 > - > - > - > - > 16279657 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.9508 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9508 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6652 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3797 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3797 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6652 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2363 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3032 0.2062 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.3032 1.0312 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4782 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3032 -0.6188 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3797 0.2062 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 7 2 1 0 0 0 10 7 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 8 12 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00039290 > ALDRICH > 420034 > - > - > - > - > 16279657 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -1.3049 -0.0099 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1049 -0.0099 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 -0.0099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1150 -0.0099 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.4949 -0.0099 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1049 0.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1049 -0.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1150 0.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1150 -0.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00018088 > ALDRICH > 465585 > FLUKA > 36525 > - > - > 16279657 $$$$ 15 15 0 0 0 0 0 0 0 0 1 V2000 -1.1270 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.6464 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 0.8229 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 -0.8243 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -1.6479 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8390 -0.8243 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8390 0.8229 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8390 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 1.6479 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 6 7 1 0 0 0 5 8 1 0 0 0 4 9 1 0 0 0 3 10 1 0 0 0 2 11 1 0 0 0 1 12 1 0 0 0 8 13 1 0 0 0 8 14 1 0 0 0 8 15 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000500 > ALDRICH > 226459 > - > - > - > - > 16279657 $$$$ 16 15 0 0 0 0 0 0 0 0 1 V2000 3.7954 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.7954 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7954 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8719 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.8719 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1357 0.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4507 -0.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7145 0.3545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0295 -0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2933 0.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 -0.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1279 0.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -0.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5492 0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2342 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9704 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 16 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00043326 > ALDRICH > 40242 > - > - > - > - > 16279657 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.0016 -0.2030 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.2997 -0.9544 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2997 -0.9544 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 0.9544 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00011518 > ALDRICH > 175552 > - > - > - > - > 16279657 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.4125 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000494 > ALDRICH > 440248 > FLUKA > 66630 > - > - > 16279657 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -0.1258 0.0565 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.9508 0.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1258 -0.7685 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9508 0.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3618 -0.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3618 0.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3618 0.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3618 -0.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 4 7 1 0 0 0 4 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00054896 > ALDRICH > 375896 > FLUKA > 38380 > - > - > 16279657 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -0.9508 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9508 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9508 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7758 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1258 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6992 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.6992 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6992 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7758 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 6 8 1 0 0 0 6 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00042815 > ALDRICH > 64296 > - > - > - > - > 16279657 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -0.4830 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5935 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 6 5 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000878 > ALDRICH > 205354 > - > - > - > - > 16279657 $$$$ 12 11 0 0 0 0 0 0 0 0 1 V2000 0.6180 -0.7300 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 0.0950 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -1.5550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6946 -0.7300 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 1.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 1.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 1.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 1.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 1.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 1.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 12 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 8 5 6 7 8 9 10 11 12 M SBL 1 1 4 M SMT 1 CH3(CH2)6CH^2 M SBV 1 4 -8.2534 5.7230 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000488 > ALDRICH > 235725 > - > - > - > - > 16279657 $$$$ 16 15 0 0 0 0 0 0 0 0 1 V2000 -0.7438 0.9999 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.7438 1.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7438 0.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0318 2.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4558 2.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5688 0.9999 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4558 -0.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0318 -0.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 -1.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -2.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -1.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -2.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -2.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 -1.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 -2.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 2 5 1 0 0 0 1 6 1 0 0 0 3 7 1 0 0 0 3 8 1 0 0 0 1 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 8 9 10 11 12 13 14 15 16 M SBL 1 1 8 M SMT 1 CH2(CH2)6CH3 M SBV 1 8 -3.5237 4.4916 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00134528 > ALDRICH > 380695 > - > - > - > - > 16279657 $$$$ 15 14 0 0 0 0 0 0 0 0 1 V2000 -0.7452 0.0861 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7452 0.9111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7452 -0.7389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0798 0.0861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9048 0.0861 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.9048 0.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9048 -0.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9813 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6168 1.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4881 -1.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3924 -0.6258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5702 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5702 -0.7360 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3924 0.0861 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5702 0.9083 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 2 0 0 0 1 12 1 0 0 0 1 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 5 7 1 0 0 0 5 8 1 0 0 0 6 9 1 0 0 0 7 10 1 0 0 0 8 11 1 0 0 0 12 13 1 0 0 0 12 14 1 0 0 0 12 15 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000407 > ALDRICH > 279471 > FLUKA > 91743 > - > - > 16279657 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 4.9750 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4946 -3.5667 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 6.0141 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5337 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8953 -2.9966 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1104 -2.9966 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00013607 > ALDRICH > 46087 > - > - > - > - > 16279657 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 4.9750 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4946 -3.5667 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 6.0141 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5337 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8953 -2.9966 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1104 -2.9966 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00013607 > ALDRICH > 442984 > - > - > - > - > 16279657 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 0.1500 -0.0625 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 0.1500 -1.1125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00053901 > ALDRICH > 39897 > - > - > - > - > 16279657 $$$$ 19 20 0 0 0 0 0 0 0 0 1 V2000 -0.8479 0.0001 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.1633 0.0171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8309 -0.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8423 0.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8766 -0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6931 0.0028 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.5557 1.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1174 -1.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5355 -1.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1604 1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6931 0.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8681 -0.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8623 0.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4984 -2.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1747 2.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5671 2.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1031 -2.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8824 2.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 -2.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 2 5 1 0 1 6 1 0 4 7 2 0 3 8 1 0 3 9 2 0 4 10 1 0 5 11 1 0 5 12 1 0 5 13 1 0 9 14 1 0 10 15 2 0 7 16 1 0 8 17 2 0 15 18 1 0 14 19 2 0 16 18 2 0 17 19 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00077672 > ALDRICH > 20437 > - > - > - > - > 16279657 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 0.6503 0.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6504 -0.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9229 -0.9394 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -2.9310 0.9394 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 5.7737 0.6986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4245 -3.5332 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4293 -3.5332 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.7737 -0.6986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4294 3.5332 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.4246 3.5332 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00045140 > ALDRICH > 438219 > - > - > - > - > 16279657 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8236 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 7 8 1 0 7 9 1 0 7 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00039296 > ALDRICH > 597864 > FLUKA > 78377 > - > - > 16279657 $$$$ 22 21 0 0 0 0 0 0 0 0 1 V2000 -7.5754 -2.9179 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -7.5754 -1.2379 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -7.5754 -2.0779 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -8.6244 -2.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3755 -2.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7754 -1.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5754 -1.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9754 -2.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7754 -2.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1754 -3.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9756 -3.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3754 -2.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8243 -2.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4243 -1.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6243 -1.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2243 -0.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4243 -0.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0244 1.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2243 1.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8244 2.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0244 2.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6244 3.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00018083 > ALDRICH > 76016 > FLUKA > 68164 > - > - > 16279657 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -0.6655 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.6655 -0.8221 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4876 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6655 0.8221 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 -0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4876 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 5 6 1 0 0 0 5 7 1 0 0 0 5 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00011599 > FLUKA > 52154 > - > - > - > - > 16279657 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 0.0458 -3.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0458 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -2.5875 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 0.7250 -4.2083 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 -0.6667 -4.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6667 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -5.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 -3.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -3.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 2 2 0 0 0 0 7 3 1 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 4 1 0 0 0 0 11 12 2 0 0 0 0 12 5 1 0 0 0 0 11 6 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00142462 > ALDRICH > 14804 > - > - > - > - > 16279657 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 -0.9495 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9495 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3785 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3785 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 -1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2375 0.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 0.4118 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6640 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3785 0.8243 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2375 -1.2354 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 2 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 12 11 1 0 0 0 1 13 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00191923 > ALDRICH > 407615 > - > - > - > - > 16279657 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -0.3682 -0.3589 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.9308 -1.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9872 -1.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3682 1.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2297 0.7111 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2297 -0.3636 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000503 > ALDRICH > 254460 > FLUKA > 17615 > - > - > 16279657 $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 0.0798 -0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.1563 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0798 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7918 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6322 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7452 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1563 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1563 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0798 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6322 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7918 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 1 6 1 0 0 0 1 3 1 0 0 0 1 2 1 0 0 0 3 4 1 0 0 0 3 5 1 0 0 0 6 7 1 0 0 0 6 8 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009656 > ALDRICH > 241725 > FLUKA > 92090 > - > - > 16279657 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 0.0016 -0.1423 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.3011 -0.8915 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3011 -0.8915 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 0.8915 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5969 0.8915 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00011229 > ALDRICH > 688509 > RIEDEL > 13736 > - > - > 16279657 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -0.2493 -0.3589 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.0496 -1.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8684 -1.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2493 1.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1108 0.7111 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1108 -0.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009918 > ALDRICH > 296473 > - > - > - > - > 16279657 $$$$ 25 24 0 0 0 0 0 0 0 0 1 V2000 1.6465 1.1648 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.6465 1.9898 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6465 0.3398 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7230 1.1648 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6705 1.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8829 1.8228 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 1.4014 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8601 2.3870 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2206 0.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8516 -0.3838 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4657 0.6766 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.9326 -0.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3436 0.6519 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6446 -0.4712 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2749 -1.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9492 -1.9542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0095 -1.5683 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0388 -0.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3644 0.0055 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6959 -0.3804 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4956 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9067 -2.3870 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.2164 -2.0861 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2076 -1.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2076 -0.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 25 1 0 0 0 5 6 1 0 0 0 5 7 1 0 0 0 5 8 1 0 0 0 5 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 12 13 1 0 0 0 12 14 1 0 0 0 12 15 1 0 0 0 15 16 1 0 0 0 15 17 1 0 0 0 15 18 1 0 0 0 18 19 1 0 0 0 18 20 1 0 0 0 18 21 1 0 0 0 21 22 1 0 0 0 21 23 1 0 0 0 21 24 1 0 0 0 24 25 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 M SAL 1 6 20 21 22 23 24 25 M SBL 1 1 4 M SMT 1 CF3(CF2)5CH2CH^2 M SBV 1 4 -9.5815 6.1324 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00042363 > ALDRICH > 448931 > FLUKA > 77279 > - > - > 16279657 $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 0.0798 -0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.1563 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0798 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7918 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6322 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7452 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1563 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1563 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0798 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6322 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7918 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 1 6 1 0 0 0 1 3 1 0 0 0 1 2 1 0 0 0 3 4 1 0 0 0 3 5 1 0 0 0 6 7 1 0 0 0 6 8 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009656 > ALDRICH > 515175 > FLUKA > 92090 > - > - > 16279657 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -0.7692 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0558 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.1817 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0558 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0558 -0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1817 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 2 4 1 0 2 5 1 0 2 6 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00053205 > FLUKA > 03420 > - > - > - > - > 16279657 $$$$ 14 13 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.7592 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 1.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 1.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8616 -0.3155 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0353 1.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0353 1.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7364 -1.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7717 1.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7717 1.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4728 -0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8329 0.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8329 0.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -1.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000509 > ALDRICH > 282707 > FLUKA > 90796 > - > - > 16279657 $$$$ 22 21 0 0 0 0 0 0 0 0 1 V2000 -6.4630 -1.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7510 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0390 -1.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3270 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6150 -1.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9030 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1910 -1.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4791 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7671 -1.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0551 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6569 -1.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3689 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0809 -1.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7929 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5049 -1.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2169 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9289 -1.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6409 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6409 0.2055 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 4.8187 0.2055 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.6409 1.0277 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4630 0.2055 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 19 21 1 0 0 0 19 22 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000484 > FLUKA > 74762 > - > - > - > - > 16279657 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 4.5091 -6.1398 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 5.3227 -6.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5091 -5.1400 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5091 -7.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4462 -6.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7352 -5.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5604 -5.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9732 -4.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7012 -4.6873 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 7 6 1 0 0 0 0 7 8 1 0 0 0 0 1 2 1 0 0 0 0 8 9 3 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001969 > ALDRICH > 28555 > - > - > - > - > 16279657 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.1510 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.5635 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6592 -0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 1 6 1 0 0 0 1 7 1 0 0 0 1 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00015727 > ALDRICH > 446122 > FLUKA > 19903 > - > - > 16279657 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.4689 0.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4689 -0.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7544 -0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 -0.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 0.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7544 0.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 0.7175 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.2554 0.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4689 0.9310 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00045146 > ALDRICH > 68645 > - > - > - > - > 16279657 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.0540 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7685 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7685 -1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 0.4118 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 1.2368 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4830 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 2 7 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000499 > ALDRICH > 113379 > FLUKA > 78390 > - > - > 16279657 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 5.5186 -3.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0364 -2.8615 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 6.3364 -2.3418 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.5560 -3.1615 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7364 -2.3418 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9990 -2.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4793 -3.1604 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00045286 > FLUKA > 24611 > - > - > - > - > 16279657 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.8402 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.8402 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6652 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8402 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2363 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9508 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6652 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00002825 > ALDRICH > 226890 > FLUKA > 92747 > - > - > 16279657 $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 8.2535 -8.0059 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 7.4274 -8.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2535 -8.8331 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.0133 -7.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0133 -8.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1872 -8.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1872 -7.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7711 -8.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0776 -8.0059 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0776 -7.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9039 -8.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0776 -8.8323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2512 -7.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9633 -6.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 7 2 0 0 0 0 6 8 2 0 0 0 0 7 8 1 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 2 5 2 0 0 0 0 5 6 1 0 0 0 0 13 14 1 0 0 0 0 G 9 1 t-Bu G 13 1 OCH3 M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 4 9 10 11 12 M SBL 1 1 4 M SDI 1 4 8.8000 -8.2000 8.8000 -7.8000 M SMT 1 t-Bu M SBV 1 4 -0.8200 0.0000 M SAL 2 2 13 14 M SBL 2 1 5 M SDI 2 4 8.4500 -7.4500 8.0400 -7.4500 M SMT 2 OCH3 M SBV 2 5 0.0000 -0.8300 M SDS EXP 2 1 2 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00043308 > FLUKA > 20240 > - > - > - > - > 16279657 $$$$ 14 13 0 0 0 0 0 0 0 0 1 V2000 0.1967 -0.8255 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.4955 -1.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1023 -1.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1967 0.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6648 0.2492 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2365 -1.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1023 -3.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2183 2.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2932 -1.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2365 0.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1726 -3.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -3.8809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2932 1.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2183 3.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010658 > ALDRICH > 291013 > FLUKA > 92032 > - > - > 16279657 $$$$ 23 25 0 0 0 0 0 0 0 0 1 V2000 -0.9239 0.1366 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.9239 1.6366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2527 -0.5428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1008 -0.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6104 1.1064 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0455 2.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1311 -0.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1008 -1.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9405 1.5703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0455 3.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1174 -0.6133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1311 1.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1104 -2.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0994 -2.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9267 2.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9405 3.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1035 -0.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1174 1.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1145 -3.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1035 -3.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9267 3.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1035 1.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1133 -3.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 10 16 2 0 0 0 0 11 17 1 0 0 0 0 12 18 2 0 0 0 0 13 19 1 0 0 0 0 14 20 2 0 0 0 0 15 21 2 0 0 0 0 16 21 1 0 0 0 0 17 22 2 0 0 0 0 18 22 1 0 0 0 0 19 23 2 0 0 0 0 20 23 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004768 > ALDRICH > 246891 > - > - > - > - > 16279657 $$$$ 14 13 0 0 0 0 0 0 0 0 1 V2000 3.4510 -3.0083 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9707 -3.3083 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 4.4903 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0099 -3.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5295 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0491 -3.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5687 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0883 -3.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6080 -3.0083 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 8.1276 -3.3083 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9707 -3.9062 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.6080 -2.4104 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4510 -3.6083 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.1276 -2.7083 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 2 11 1 0 0 0 0 9 12 1 0 0 0 0 2 13 1 0 0 0 0 9 14 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00053189 > FLUKA > 15204 > - > - > - > - > 16279657 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -1.3582 0.0316 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.5447 0.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3582 1.0314 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3582 -1.0314 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.4212 0.0316 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1698 0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8843 0.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5989 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4212 0.4434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 6 2 1 0 0 0 7 6 1 0 0 0 7 8 1 0 0 0 8 9 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 8 9 M SBL 1 1 7 M SMT 1 CN M SBV 1 7 -6.2731 4.0131 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00013832 > FLUKA > 28560 > - > - > - > - > 16279657 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -1.4277 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 -0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.3046 0.7120 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 0.4111 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1268 -0.7120 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 4 5 1 0 0 0 4 6 1 0 0 0 4 7 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000486 > ALDRICH > 107778 > FLUKA > 06070 > - > - > 16279657 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -1.5547 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.5547 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5547 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3797 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4782 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2363 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9508 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6652 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3797 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009919 > ALDRICH > 238902 > - > - > - > - > 16279657 $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 0.0798 -0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.1563 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0798 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7918 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6322 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7452 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1563 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1563 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0798 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6322 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7918 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 1 6 1 0 0 0 1 3 1 0 0 0 1 2 1 0 0 0 3 4 1 0 0 0 3 5 1 0 0 0 6 7 1 0 0 0 6 8 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009656 > ALDRICH > 90174 > FLUKA > 92090 > - > - > 16279657 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 4.6990 -2.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2186 -3.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7382 -2.9521 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 6.2578 -3.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7774 -2.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7382 -2.2271 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.7382 -3.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2186 -3.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000049 > ALDRICH > 91653 > - > - > - > - > 16279657 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 8.5417 3.8000 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 8.9542 3.2125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.2792 3.8000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.9125 4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0792 4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2875 3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4125 4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0375 3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6667 4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00039295 > FLUKA > 53215 > - > - > - > - > 16279657 $$$$ 12 11 0 0 0 0 0 0 0 0 1 V2000 -2.0450 -1.9564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7461 -1.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3443 -0.6333 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.5526 -1.9564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1921 -2.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3443 2.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6197 1.2544 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8515 -1.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1583 -1.9564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4572 -1.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7561 -1.9564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6197 -0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000511 > ALDRICH > 246859 > FLUKA > 41000 > - > - > 16279657 $$$$ 30 33 0 0 1 0 0 0 0 0 1 V2000 -1.5332 2.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8212 2.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1092 2.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6028 2.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3147 2.2198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6028 3.4530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1092 1.3977 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2477 2.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9622 2.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9622 1.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2477 0.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5332 1.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6741 0.9837 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.2049 -2.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6159 -1.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0658 -0.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3147 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4007 -1.8892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8506 -2.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1046 -3.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 -3.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4589 -2.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4201 -1.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6741 -0.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1240 0.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3199 0.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6028 -0.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6028 0.1616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1092 0.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8212 0.1616 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 3 4 1 0 0 0 4 5 1 0 0 0 4 6 2 0 0 0 3 7 1 1 0 0 1 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 1 1 0 0 0 10 13 1 0 0 0 7 29 1 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 14 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 14 22 1 0 0 0 15 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 16 26 1 0 0 0 17 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00273460 > ALDRICH > 672637 > - > - > - > - > 16279657 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 -1.4338 -0.2062 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.4338 0.6187 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.2588 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4338 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1822 0.2062 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.1822 1.0313 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1822 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2588 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 8 5 1 0 0 0 6 7 1 0 0 0 6 8 1 0 0 0 6 9 1 0 0 0 6 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000505 > ALDRICH > 267880 > FLUKA > 14640 > - > - > 16279657 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -1.9015 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0765 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.0765 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0765 -0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9015 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 2 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 6 8 1 0 0 0 6 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00031530 > ALDRICH > 368334 > - > - > - > - > 16279657 $$$$ 20 22 0 0 0 0 0 0 0 0 1 V2000 0.6549 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.8549 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6549 0.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1451 1.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1451 1.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6549 2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4549 1.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4549 1.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0051 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4651 0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4651 -0.8050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3949 -0.8050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8549 0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3949 0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6549 -0.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4549 -1.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4549 -1.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6549 -2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1451 -1.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1451 -1.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 3 4 2 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 15 20 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00017899 > ALDRICH > 440760 > - > - > - > - > 16279657 $$$$ 15 14 0 0 0 0 0 0 0 0 1 V2000 0.5761 -0.2048 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.5761 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2489 -0.2048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5761 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9634 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9634 1.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 -1.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6526 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6526 -1.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6526 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4748 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6779 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8914 -1.0017 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4748 -0.4183 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0889 0.5072 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 8 1 0 0 0 5 3 1 0 0 0 12 5 1 0 0 0 5 6 2 0 0 0 3 7 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 12 13 1 0 0 0 12 14 1 0 0 0 12 15 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009671 > ALDRICH > 375934 > FLUKA > 19915 > SIGMA > B5763 > 16279657 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -1.5547 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.5547 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5547 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3797 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4782 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2363 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9508 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6652 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3797 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009919 > ALDRICH > 92749 > - > - > - > - > 16279657 $$$$ 23 22 0 0 0 0 0 0 0 0 1 V2000 0.9977 -0.6189 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.5022 -0.6189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9977 0.0789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9977 -1.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5472 -0.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0942 -0.9620 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4077 0.4221 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4451 -1.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5523 -1.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9926 -0.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5472 0.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5414 -0.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4605 -1.5944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7277 -1.5944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4077 1.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2323 0.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0414 -0.2120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9925 -0.9523 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8055 -0.2179 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2599 -0.2237 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8588 1.3804 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1435 1.5944 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0916 1.1201 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 2 0 0 0 0 6 14 2 0 0 0 0 7 15 1 0 0 0 0 7 16 2 0 0 0 0 7 17 2 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00043111 > ALDRICH > 375942 > FLUKA > 38439 > - > - > 16279657 $$$$ 12 11 0 0 0 0 0 0 0 0 1 V2000 -0.9493 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.9493 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9493 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9522 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9522 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9522 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1272 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7743 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7743 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7743 -0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9522 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7743 0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 8 1 0 0 0 1 3 1 0 0 0 1 7 1 0 0 0 4 5 2 0 0 0 4 6 2 0 0 0 4 7 1 0 0 0 4 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 8 M SMT 1 CF3 M SBV 1 8 -5.2866 4.6406 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000406 > ALDRICH > 29383 > FLUKA > 70729 > - > - > 16279657 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.5834 0.5834 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5834 0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5834 -0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5834 -0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000502 > ALDRICH > 386529 > FLUKA > 92360 > - > - > 16279657 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 0.2867 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.2867 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5383 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2867 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3633 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3633 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5383 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5383 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 3 6 1 0 0 0 3 7 1 0 0 0 3 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000501 > ALDRICH > 19905 > FLUKA > 77205 > - > - > 16279657 $$$$ 12 11 0 0 0 0 0 0 0 0 1 V2000 -1.7910 -0.2048 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6160 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -0.2048 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6160 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 6 5 1 0 0 0 9 6 2 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 7 11 1 0 0 0 6 12 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008270 > ALDRICH > 394831 > FLUKA > 15241 > - > - > 16279657 $$$$ 12 11 0 0 0 0 0 0 0 0 1 V2000 -1.7910 -0.2048 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6160 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -0.2048 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6160 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 6 5 1 0 0 0 9 6 2 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 7 11 1 0 0 0 6 12 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008270 > ALDRICH > 128910 > FLUKA > 15241 > - > - > 16279657 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.3585 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -1.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4683 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 1.1803 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.8794 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 -0.2437 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 2 8 1 0 0 0 5 7 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00045131 > ALDRICH > 419354 > - > - > - > - > 16279657 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.0705 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4132 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.2354 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.0021 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.4118 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -1.2339 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 7 9 1 0 7 10 1 0 1 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00053181 > ALDRICH > 630454 > - > - > - > - > 16279657 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 6.3312 -7.6616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1562 -7.6616 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.9187 -8.3749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8643 -8.3749 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 4.8643 -9.5439 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5763 -9.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1522 -9.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9268 -8.3999 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3629 -7.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2670 -8.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9559 -7.2791 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4888 -6.9319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3647 -6.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 4 11 1 0 0 0 0 1 2 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 G 8 4 i-Pr G 5 4 i-Pr G 11 4 i-Pr M STY 3 1 SUP 2 SUP 3 SUP M SLB 3 1 1 2 2 3 3 M SAL 1 3 8 9 10 M SBL 1 1 6 M SDI 1 4 4.2300 -8.1800 4.2400 -8.5900 M SMT 1 i-Pr M SBV 1 6 0.9400 0.0200 M SAL 2 3 5 6 7 M SBL 2 1 5 M SDI 2 4 4.6500 -9.1500 5.0600 -9.1500 M SMT 2 i-Pr M SBV 2 5 0.0000 1.1700 M SAL 3 3 11 12 13 M SBL 3 1 9 M SDI 3 4 5.1200 -7.6500 4.7100 -7.6100 M SMT 3 i-Pr M SBV 3 9 -0.0900 -1.1000 M SDS EXP 3 1 2 3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD05865265 > ALDRICH > 91415 > - > - > - > - > 16279657 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.0000 0.2789 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4627 1.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4628 1.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.7747 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9544 -1.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9587 -1.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009917 > ALDRICH > 281875 > FLUKA > 59420 > - > - > 16279657 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.5834 0.5834 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5834 0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5834 -0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5834 -0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000502 > ALDRICH > C72854 > FLUKA > 92360 > - > - > 16279657 $$$$ 15 14 0 0 0 0 0 0 0 0 1 V2000 -0.5383 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.5383 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5383 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3633 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3633 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3633 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5383 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3633 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3633 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1854 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3633 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1854 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1854 -0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3633 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1854 0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 8 1 0 0 0 1 3 1 0 0 0 1 7 1 0 0 0 4 5 2 0 0 0 4 6 2 0 0 0 4 7 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 4 12 1 0 0 0 12 13 1 0 0 0 12 14 1 0 0 0 12 15 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 12 13 14 15 M SBL 1 1 11 M SMT 1 CF3 M SBV 1 11 -4.8755 4.6406 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000405 > ALDRICH > 226149 > FLUKA > 91742 > - > - > 16279657 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.9508 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9508 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6652 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3797 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3797 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6652 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2363 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4782 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3032 0.2062 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.3032 1.0312 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3032 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3797 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 7 2 1 0 0 0 8 7 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00053210 > ALDRICH > 467138 > - > - > - > - > 16279657 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 0.2853 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.2853 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2853 -0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3618 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5397 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5397 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3618 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5397 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 5 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 5 6 1 0 0 0 5 7 1 0 0 0 5 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000480 > FLUKA > 20655 > - > - > - > - > 16279657 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.2055 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0305 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 3 6 1 0 0 0 3 7 1 0 0 0 7 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000507 > ALDRICH > 75986 > FLUKA > 90383 > - > - > 16279657 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 5.3187 -3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9187 -3.1583 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 6.2177 -2.6405 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2177 -3.6761 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.5187 -3.1583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000481 > ALDRICH > M85301 > FLUKA > 69452 > - > - > 16279657 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.5834 0.5834 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5834 0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5834 -0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5834 -0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000502 > ALDRICH > 92361 > FLUKA > 92360 > - > - > 16279657 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 0.0847 -0.2508 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.2157 0.4967 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2157 -0.9057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0463 -0.9057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0847 0.9057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000048 > ALDRICH > 194409 > FLUKA > 92337 > - > - > 16279657 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.8250 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.7083 1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 1.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 3 1 0 0 0 0 6 5 2 0 0 0 0 7 4 1 0 0 0 0 8 6 1 0 0 0 0 9 1 1 0 0 0 0 10 1 1 0 0 0 0 7 8 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03701605 > ALDRICH > 569232 > - > - > - > - > 16279657 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 -0.5935 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5935 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0225 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0225 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 -1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7345 -1.2354 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1185 0.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9435 0.4118 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.9435 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9435 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0200 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7345 0.8243 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 2 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 13 12 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00191924 > ALDRICH > 407623 > - > - > - > - > 16279657 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -2.3797 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3797 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6652 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9508 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9508 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6652 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2363 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4782 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3032 0.2062 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.3032 1.0313 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3032 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3797 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 7 5 1 0 0 0 8 7 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00039472 > ALDRICH > 452238 > - > - > - > - > 16279657 $$$$ 20 19 0 0 0 0 0 0 0 0 1 V2000 0.7833 -0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.8598 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7833 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0713 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0713 2.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6407 2.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6407 3.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3527 3.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7833 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4952 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4952 -2.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2072 -2.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2072 -3.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9192 -3.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9192 -2.1360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5082 -1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 -1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4528 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0417 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 1 20 1 0 0 0 1 9 1 0 0 0 1 2 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000510 > ALDRICH > 254444 > - > - > - > - > 16279657 $$$$ 23 22 0 0 0 0 0 0 0 0 1 V2000 -3.2704 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5559 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5559 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4890 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2704 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2704 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 2.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 2.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -2.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 -2.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 5 6 1 0 0 0 4 7 1 0 0 0 2 8 1 0 0 0 6 9 1 0 0 0 6 10 1 0 0 0 6 11 1 0 0 0 12 10 1 0 0 0 13 12 1 0 0 0 14 13 1 0 0 0 15 14 1 0 0 0 16 9 1 0 0 0 17 16 1 0 0 0 18 17 1 0 0 0 19 18 1 0 0 0 12 20 1 0 0 0 14 21 1 0 0 0 16 22 1 0 0 0 18 23 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00191935 > ALDRICH > 389382 > - > - > - > - > 16279657 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.2295 0.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 0.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1994 0.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9139 0.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9139 -0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1994 -0.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 -0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 0.3058 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.9139 0.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 -0.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8733 -0.2357 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 2 1 0 1 8 1 0 8 9 1 0 8 10 1 0 8 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00018089 > ALDRICH > 562378 > - > - > - > - > 16279657 $$$$ 20 22 0 0 0 0 0 0 0 0 1 V2000 0.6992 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.6992 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6992 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1258 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4137 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4137 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6992 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0152 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0152 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5383 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3633 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7758 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3633 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5383 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0152 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0152 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6992 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4137 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4137 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7758 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 2 2 0 0 0 4 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 4 1 0 0 0 3 15 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 19 3 1 0 0 0 1 20 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000496 > ALDRICH > 114162 > FLUKA > 93008 > - > - > 16279657 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.5834 0.5834 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5834 0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5834 -0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5834 -0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000502 > ALDRICH > 95541 > FLUKA > 92360 > - > - > 16279657 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 0.7400 0.4706 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.0406 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4251 1.6540 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0584 1.6540 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2967 -0.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2967 -1.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1687 0.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1687 -1.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0406 -0.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0406 -1.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 2 0 0 0 0 9 10 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000490 > ALDRICH > 440116 > - > - > - > - > 16279657 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.2878 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.2981 -1.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 -1.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 0.4602 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001028 > ALDRICH > 195529 > FLUKA > 58118 > - > - > 16279657 $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 -0.5383 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.5383 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3633 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5383 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5383 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2527 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9672 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2527 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9672 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2527 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9672 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 8 4 1 0 0 0 9 8 1 0 0 0 10 2 1 0 0 0 11 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00015124 > ALDRICH > 409243 > - > - > - > - > 16279657 $$$$ 20 18 0 0 0 0 0 0 0 0 1 V2000 -0.7166 -0.0645 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.7166 0.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5416 -0.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7166 -0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1849 -0.0645 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.1849 0.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3599 -0.0645 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1849 -0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2615 -0.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1517 0.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1517 -0.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8662 -0.7605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5807 -0.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5807 0.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8662 0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7557 -0.0645 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -4.7557 0.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5807 -0.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7557 -0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6791 -0.0645 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 7 1 0 0 0 5 6 1 0 0 0 5 7 1 0 0 0 5 8 1 0 0 0 5 9 1 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 10 2 0 0 0 16 17 1 0 0 0 16 18 1 0 0 0 16 19 1 0 0 0 16 20 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00080961 > ALDRICH > 394629 > - > - > - > - > 16279657 $$$$ 14 13 0 0 0 0 0 0 0 0 1 V2000 0.5313 -0.1077 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.6056 -0.1765 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6619 0.9560 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.1243 1.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8561 1.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4707 0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7852 -0.1767 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.7804 0.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6056 -0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8854 -0.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5265 -0.9327 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.3486 -0.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5265 -1.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2956 -0.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 1 11 1 0 0 0 1 2 1 0 0 0 1 7 1 0 0 0 3 4 1 0 0 0 3 5 1 0 0 0 3 6 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 11 14 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01321222 > ALDRICH > 409405 > - > - > - > - > 16279657 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -0.3313 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3313 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.3313 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1563 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7452 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1563 0.7120 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 2 5 1 0 0 0 5 6 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000874 > ALDRICH > 70750 > - > - > - > - > 16279657 $$$$ 6 6 0 0 0 0 0 0 0 0 1 V2000 5.3604 -5.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5729 -6.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3687 -6.1104 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 6.1562 -5.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0082 -6.6374 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.0628 -5.6649 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00053537 > ALDRICH > 411094 > - > - > - > - > 16279657 $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 0.5887 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5887 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1258 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8402 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8402 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1258 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3007 0.8236 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.5522 -0.8236 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.3007 1.6486 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3007 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5522 0.0014 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.5522 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3772 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3772 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 2 7 1 0 0 0 5 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 8 11 1 0 0 0 8 12 1 0 0 0 8 13 1 0 0 0 7 14 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00039299 > ALDRICH > 549445 > - > - > - > - > 16279657 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -0.2509 -0.2029 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.0491 -0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 -1.2704 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 1.2704 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0994 1.2704 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1030 -0.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000485 > ALDRICH > 679216 > FLUKA > 04970 > - > - > 16279657 $$$$ 15 14 0 0 0 0 0 0 0 0 1 V2000 -1.7910 -0.6159 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 0.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6160 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.6159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -0.6159 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 0.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.6159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6160 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8221 0.6187 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.4409 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 0.6187 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 6 5 2 0 0 0 9 6 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 7 11 1 0 0 0 6 12 1 0 0 0 12 13 1 0 0 0 12 14 1 0 0 0 12 15 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 12 13 14 15 M SBL 1 1 11 M SMT 1 CF3 M SBV 1 11 -6.1340 5.1047 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008269 > ALDRICH > 441104 > FLUKA > 15243 > SIGMA > T5634 > 16279657 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 -0.7120 -0.2055 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.2055 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2055 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 2 3 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 1 2 3 M SMT 1 I2SiH2 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00075171 > ALDRICH > 339873 > - > - > - > - > 16279657 $$$$ 28 27 0 0 0 0 0 0 0 0 1 V2000 -0.7438 2.7805 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.7438 3.6055 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.5688 2.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7438 1.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 3.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9977 2.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0293 1.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6851 1.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0293 0.7209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 4.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0519 -3.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3399 -4.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6279 -3.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9159 -4.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 -3.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 -4.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -3.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -4.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -3.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -4.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -3.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 -4.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 -3.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2040 -4.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9159 -3.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6279 -4.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3399 -3.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0519 -4.0152 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 5 3 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 8 7 1 0 0 0 7 9 1 0 0 0 5 10 1 0 0 0 1 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 M SAL 1 3 26 27 28 M SBL 1 1 10 M SMT 1 CH2(CH2)16CH3 M SBV 1 10 -1.3387 2.4545 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00191911 > ALDRICH > 404713 > - > - > - > - > 16279657 $$$$ 22 21 0 0 0 0 0 0 0 0 1 V2000 0.7232 -2.4674 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.7232 -1.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7232 -3.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5482 -2.4674 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.0707 2.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3565 3.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6423 2.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9281 3.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2139 2.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4997 3.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7855 2.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0713 3.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3571 2.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3571 3.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0713 2.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7855 3.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4997 2.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2139 3.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9281 2.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6423 3.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3565 2.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0707 3.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 22 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 M SAL 1 3 20 21 22 M SBL 1 1 4 M SMT 1 CH3(CH2)16CH^2 M SBV 1 4 -5.3475 -5.7598 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000504 > ALDRICH > 289108 > FLUKA > 40950 > - > - > 16279657 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 1.3080 -0.2062 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1330 -0.2062 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0565 0.2062 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.0565 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2315 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0565 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1330 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 8 5 1 0 0 0 6 7 1 0 0 0 6 8 1 0 0 0 6 9 1 0 0 0 6 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD09265153 > ALDRICH > 681334 > - > - > - > - > 16279657 $$$$ 15 14 0 0 0 0 0 0 0 0 1 V2000 -1.7910 -0.6159 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 0.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6160 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.6159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -0.6159 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 0.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.6159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6160 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8221 0.6187 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.4409 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 0.6187 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 6 5 2 0 0 0 9 6 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 7 11 1 0 0 0 6 12 1 0 0 0 12 13 1 0 0 0 12 14 1 0 0 0 12 15 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 12 13 14 15 M SBL 1 1 11 M SMT 1 CF3 M SBV 1 11 -6.1340 5.1047 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008269 > ALDRICH > 155195 > FLUKA > 15243 > SIGMA > T5634 > 16279657 $$$$ 15 14 0 0 0 0 0 0 0 0 1 V2000 -1.7910 -0.6159 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 0.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6160 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.6159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -0.6159 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 0.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.6159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6160 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8221 0.6187 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.4409 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 0.6187 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 6 5 2 0 0 0 9 6 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 7 11 1 0 0 0 6 12 1 0 0 0 12 13 1 0 0 0 12 14 1 0 0 0 12 15 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 12 13 14 15 M SBL 1 1 11 M SMT 1 CF3 M SBV 1 11 -6.1340 5.1047 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008269 > ALDRICH > 394858 > FLUKA > 15243 > SIGMA > T5634 > 16279657 $$$$ 15 14 0 0 0 0 0 0 0 0 1 V2000 -1.7910 -0.6159 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 0.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6160 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.6159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -0.6159 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 0.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.6159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6160 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8221 0.6187 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.4409 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 0.6187 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 6 5 2 0 0 0 9 6 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 7 11 1 0 0 0 6 12 1 0 0 0 12 13 1 0 0 0 12 14 1 0 0 0 12 15 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 12 13 14 15 M SBL 1 1 11 M SMT 1 CF3 M SBV 1 11 -6.1340 5.1047 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008269 > ALDRICH > 394653 > FLUKA > 15243 > SIGMA > T5634 > 16279657 $$$$ 17 16 0 0 0 0 0 0 0 0 1 V2000 -1.0765 0.2055 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.0765 -0.6195 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.2055 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 1.0305 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9015 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3126 0.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3126 -0.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5370 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9015 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3126 -0.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3126 0.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0765 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3646 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7885 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 5 1 0 0 0 3 4 1 0 0 0 3 5 1 0 0 0 3 6 1 0 0 0 6 7 1 0 0 0 6 8 1 0 0 0 3 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 1 12 1 0 0 0 12 13 1 0 0 0 12 14 1 0 0 0 1 15 1 0 0 0 15 16 1 0 0 0 15 17 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 6 7 8 M SBL 1 1 5 M SMT 1 i-Pr M SBV 1 5 -5.2024 4.8462 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 9 10 11 M SBL 2 1 8 M SMT 2 i-Pr M SBV 2 8 -6.2789 4.0212 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 3 12 13 14 M SBL 3 1 11 M SMT 3 ^i-Pr M SBV 3 11 -7.1039 4.8462 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 3 15 16 17 M SBL 4 1 14 M SMT 4 i-Pr M SBV 4 14 -6.2789 4.8462 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009655 > ALDRICH > 337005 > FLUKA > 36508 > - > - > 16279657 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.6087 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6087 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8943 -1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1798 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1798 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8943 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5322 0.4118 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.5322 1.2368 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5322 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6087 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010669 > ALDRICH > 323012 > - > - > - > - > 16279657 $$$$