7 6 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 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 -0.1258 -0.8250 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 1.6652 0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6652 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 3 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000879 > ALDRICH > 221066 > FLUKA > 14650 > - > - > 16245274 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8236 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00013478 > ALDRICH > 335150 > FLUKA > 79174 > - > - > 16245274 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2048 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 2 5 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009016 > ALDRICH > 281123 > - > - > - > - > 16245274 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 -0.0279 -0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.0279 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0279 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8529 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0486 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5674 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2818 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4597 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0486 1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2818 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4597 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2818 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0486 -1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 6 4 1 0 0 0 7 6 2 0 0 0 5 8 1 0 0 0 5 11 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00191711 > ALDRICH > 417157 > - > - > - > - > 16245274 $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 -2.0403 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0403 0.8398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0505 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0304 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.1693 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1893 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1893 0.8398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1793 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0304 -0.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0304 0.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1793 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 2 2 0 0 0 0 1 8 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00039832 > ALDRICH > 431117 > FLUKA > 40110 > - > - > 16245274 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 0.2062 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.2062 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6187 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0313 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2062 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0313 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 3 6 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008606 > ALDRICH > 494305 > FLUKA > 95100 > - > - > 16245274 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 0.2062 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.2062 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6187 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0313 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2062 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0313 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 3 6 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008606 > ALDRICH > 661724 > FLUKA > 95100 > - > - > 16245274 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.0370 0.0909 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 1.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9297 1.2273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4255 -0.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2107 -0.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2065 2.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1776 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2107 -1.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1940 -0.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1940 -2.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1776 -0.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1776 -1.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 2 0 0 0 0 10 12 2 0 0 0 0 11 12 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008343 > ALDRICH > 68663 > - > - > - > - > 16245274 $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 -0.0899 0.7924 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.0899 0.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7099 -0.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7099 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0899 -1.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8898 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8898 -0.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1098 0.7924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5748 1.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5048 1.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0899 1.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 0.7924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5748 1.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5048 1.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 7 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00048541 > ALDRICH > 448605 > - > - > - > - > 16245274 $$$$ 24 23 0 0 0 0 0 0 0 0 1 V2000 7.7333 -1.5625 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 8.1458 -0.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 -2.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0208 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4458 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9708 -0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3083 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3792 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6667 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7458 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4583 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1708 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8833 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5958 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9542 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2417 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5292 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8167 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1042 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6083 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3208 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0333 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0917 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 10 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 8 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 11 1 0 0 0 0 24 9 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01631675 > ALDRICH > 94394 > - > - > - > - > 16245274 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 0.4113 -0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.4137 -0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4113 0.8250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4113 -0.8250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1257 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8402 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1257 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1257 2.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1282 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8402 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1282 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1257 -2.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8377 -0.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 5 3 1 0 0 0 6 5 1 0 0 0 7 4 1 0 0 0 5 8 1 0 0 0 9 2 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 7 12 1 0 0 0 7 13 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00192562 > ALDRICH > 396761 > - > - > - > - > 16245274 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -0.4830 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5935 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 6 5 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000878 > ALDRICH > 18146 > FLUKA > 25300 > - > - > 16245274 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.4111 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 1 2 M SMT 1 SiH3CH3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00053655 > ALDRICH > 462993 > - > - > - > - > 16245274 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 5.7400 -3.1000 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 6.0316 -3.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6148 -3.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6148 -2.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0316 -2.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4481 -2.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8648 -2.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8648 -3.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4481 -3.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 9 1 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009019 > ALDRICH > 510874 > - > - > - > - > 16245274 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 2.7816 -2.5271 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 3.3013 -2.2271 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8209 -2.5271 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 2.1816 -2.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6263 -3.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6263 -1.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5459 -2.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9762 -1.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3013 -1.6292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9762 -3.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 2 9 1 0 0 0 0 3 10 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00054866 > ALDRICH > 361747 > FLUKA > 15221 > - > - > 16245274 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.3585 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4118 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 2 7 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008257 > ALDRICH > 235016 > FLUKA > 41418 > - > - > 16245274 $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 0.1428 0.3663 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.3427 -0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5427 0.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1428 1.4421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3427 0.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5427 1.4421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1428 -0.8591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3427 -1.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5427 -0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1457 -0.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2855 0.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 3 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 10 11 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00026755 > FLUKA > 36800 > - > - > - > - > 16245274 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 0.2418 -1.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0582 -0.3580 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.2955 -0.4995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6686 -1.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0582 1.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6686 0.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6686 -1.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009843 > ALDRICH > 277711 > FLUKA > 65097 > - > - > 16245274 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.3740 0.4310 0.0000 Se 0 0 0 0 0 0 0 0 0 0 0 0 0.9259 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6651 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2170 0.4310 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.6651 -1.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7507 0.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8364 -0.5041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2170 2.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8364 1.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7507 -2.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8364 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8364 -1.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 2 0 0 0 0 10 12 2 0 0 0 0 11 12 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00042834 > ALDRICH > 376248 > - > - > - > - > 16245274 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 0.6215 -0.6029 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.6215 0.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8411 0.2423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8024 -1.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8411 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5829 1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8025 -0.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7597 -0.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5400 0.8970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7597 0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 2 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009067 > ALDRICH > 259462 > - > - > - > - > 16245274 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.0371 0.0909 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.0371 1.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9298 1.2273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4256 -0.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2107 -0.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2065 2.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1776 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2107 -1.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1941 -0.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1941 -2.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1776 -0.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1776 -1.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 12 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00071752 > ALDRICH > 435635 > FLUKA > 29463 > - > - > 16245274 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 1.2074 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 1.2074 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2028 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.9181 0.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 3.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9181 2.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9181 0.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 2.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9181 2.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6190 -2.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6191 -2.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008273 > ALDRICH > 302600 > - > - > - > - > 16245274 $$$$ 23 22 0 0 0 0 0 0 0 0 1 V2000 -0.6180 2.9225 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 3.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4430 2.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9728 2.7162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2608 2.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0519 -3.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3399 -3.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6279 -3.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9159 -3.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 -3.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 -3.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -3.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -3.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -3.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -3.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -3.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 -3.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 -3.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2040 -3.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9159 -3.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6279 -3.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3399 -3.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0519 -3.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 4 5 1 0 0 0 1 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 4 5 M SBL 1 1 3 M SMT 1 OCH3 M SBV 1 3 -4.8381 6.4880 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 15 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 M SAL 2 3 21 22 23 M SBL 2 1 5 M SMT 2 CH2(CH2)16CH3 M SBV 2 5 2.1866 0.4354 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00042920 > ALDRICH > 40955 > - > - > - > - > 16245274 $$$$ 20 22 0 0 0 0 0 0 0 0 1 V2000 0.8250 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1105 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1105 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1105 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 2 6 1 0 0 0 6 7 2 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 2 2 0 0 0 4 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 4 1 0 0 0 3 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 3 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00192551 > ALDRICH > 422150 > FLUKA > 93132 > - > - > 16245274 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 -0.9358 -2.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2346 -2.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3629 -2.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5339 -1.5852 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.6618 -2.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4302 0.0847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3817 -3.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5339 1.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9607 -2.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4302 3.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2677 -2.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5665 -2.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4302 -1.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00043322 > ALDRICH > 375977 > - > - > - > - > 16245274 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -1.7862 -0.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.1922 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.6047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7697 0.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1437 0.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 3 7 1 0 0 0 3 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009070 > ALDRICH > 258180 > FLUKA > 41758 > - > - > 16245274 $$$$ 14 13 0 0 0 0 0 0 0 0 1 V2000 6.7226 -4.2341 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 4.6607 -3.6892 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 5.3322 -4.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0482 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3564 -3.6892 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.0269 -4.2341 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.2223 -5.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3306 -4.7978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1584 -2.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0527 -3.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1140 -3.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1795 -2.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2735 -3.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2080 -5.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010649 > ALDRICH > 324639 > - > - > - > - > 16245274 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 4.1000 2.6417 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 4.0917 3.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 2.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 2.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 3.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00026749 > ALDRICH > 66612 > - > - > - > - > 16245274 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 0.2062 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.2062 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6187 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0313 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2062 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0313 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 3 6 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008606 > ALDRICH > 213950 > FLUKA > 95100 > - > - > 16245274 $$$$ 22 24 0 0 0 0 0 0 0 0 1 V2000 -0.0152 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.0152 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0152 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8402 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6992 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6992 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0152 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7297 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7297 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2527 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0777 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4902 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0777 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2527 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7297 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7297 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0152 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6992 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6992 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0613 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7758 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4902 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 2 2 0 0 0 4 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 4 1 0 0 0 3 15 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 19 3 1 0 0 0 1 20 1 0 0 0 21 20 1 0 0 0 22 21 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00077644 > ALDRICH > 375853 > FLUKA > 06080 > - > - > 16245274 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -0.1258 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.1258 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9508 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1258 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9508 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6652 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3797 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6652 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3797 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 8 3 1 0 0 0 9 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009068 > ALDRICH > 175595 > FLUKA > 40120 > - > - > 16245274 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.6113 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.2995 1.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2995 1.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.7214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4047 0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4047 0.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1051 -1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008340 > ALDRICH > 282626 > - > - > - > - > 16245274 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 -1.2004 0.0003 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -2.3993 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2004 0.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1614 1.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2004 -0.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1614 -1.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0004 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5995 1.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7995 1.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3993 0.0003 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00053923 > ALDRICH > 446173 > - > - > - > - > 16245274 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 -1.2004 0.0003 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -2.3993 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2004 0.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1614 1.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2004 -0.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1614 -1.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0004 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5995 1.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7995 1.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3993 0.0003 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00053923 > ALDRICH > 63796 > - > - > - > - > 16245274 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 -1.4842 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7697 0.6187 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.0553 0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6592 0.6187 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7697 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4842 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6592 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0553 -0.6187 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.8522 -0.8323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0553 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7416 -0.8323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 2 6 1 0 0 0 2 7 1 0 0 0 4 8 1 0 0 0 4 9 1 0 0 0 3 10 1 0 0 0 10 11 1 0 0 0 10 12 1 0 0 0 10 13 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00047990 > ALDRICH > 360120 > FLUKA > 93438 > - > - > 16245274 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 0.2620 -0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 8 1 0 0 0 1 5 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 5 6 1 0 0 0 5 7 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009657 > ALDRICH > 233781 > FLUKA > 92095 > - > - > 16245274 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.1209 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9459 0.4125 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.9459 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9459 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0225 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5935 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0225 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0225 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5935 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 2 5 1 0 0 0 1 6 1 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 6 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00039796 > ALDRICH > 378283 > FLUKA > 14003 > - > - > 16245274 $$$$ 17 16 0 0 0 0 0 0 0 0 1 V2000 -0.2705 -0.0893 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -2.1895 -0.0604 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -2.1895 0.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0894 -0.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1895 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2705 1.3204 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.2705 2.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8094 1.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2595 1.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2705 -1.4993 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.2705 -2.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7794 -1.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3325 -1.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8594 -0.0593 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.8695 0.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8675 -0.9073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0894 -0.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 1 14 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00054859 > ALDRICH > 87642 > - > - > - > - > 16245274 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.5763 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 -1.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 -1.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0353 -0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0353 -0.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7364 1.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0918 -1.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0918 -1.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7928 0.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009358 > ALDRICH > 277568 > - > - > - > - > 16245274 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2062 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00053748 > ALDRICH > 46088 > - > - > - > - > 16245274 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 0.0957 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.0957 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7293 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0957 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7293 0.4196 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0173 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 5 6 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 5 6 M SBL 1 1 4 M SMT 1 SCH3 M SBV 1 4 -3.2269 3.8141 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00042843 > ALDRICH > 359491 > FLUKA > 92758 > - > - > 16245274 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -0.4403 -1.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8576 -0.5503 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.1832 -0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4856 -1.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8576 1.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4856 0.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4856 -1.6280 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.1832 0.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00043054 > ALDRICH > 333530 > FLUKA > 16185 > - > - > 16245274 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.3589 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 -1.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 -1.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6190 0.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0353 -0.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0353 -0.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0918 -1.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0918 -1.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008636 > ALDRICH > 326194 > - > - > - > - > 16245274 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2062 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00040079 > ALDRICH > 20591 > - > - > - > - > 16245274 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -1.4240 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.2055 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 1 2 3 4 5 M SMT 1 CH3CH2SiH2CH2CH3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00039877 > ALDRICH > 423815 > FLUKA > 32495 > - > - > 16245274 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.4536 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.9536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1768 -0.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1767 -0.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1768 -1.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1630 0.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1767 -1.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1629 0.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1630 -1.9536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1491 -0.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1629 -1.9536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1491 -0.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1491 -1.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1491 -1.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 9 13 2 0 0 0 0 10 13 1 0 0 0 0 11 14 2 0 0 0 0 12 14 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008255 > ALDRICH > 261688 > - > - > - > - > 16245274 $$$$ 19 18 0 0 0 0 0 0 0 0 1 V2000 -0.2138 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5127 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0931 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8115 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3919 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1104 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6908 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4174 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9897 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7162 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2886 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0151 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5955 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3140 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8945 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6129 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1932 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4845 -0.4194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4845 -0.6615 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00039874 > ALDRICH > 442291 > - > - > - > - > 16245274 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -0.4830 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5935 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 0.4125 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 6 5 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001077 > ALDRICH > 57903 > - > - > - > - > 16245274 $$$$ 17 18 0 0 0 0 0 0 0 0 1 V2000 7.4500 7.0625 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 6.0875 7.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4500 5.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 7.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4500 8.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 9.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1667 7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 9.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 7.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 10.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 3.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 3.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4500 2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 9.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 3 2 0 0 0 0 9 2 2 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 9 1 0 0 0 0 13 6 2 0 0 0 0 14 7 2 0 0 0 0 15 8 1 0 0 0 0 16 15 2 0 0 0 0 17 12 2 0 0 0 0 16 14 1 0 0 0 0 17 13 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00025690 > ALDRICH > 42940 > - > - > - > - > 16245274 $$$$ 19 20 0 0 0 0 0 0 0 0 1 V2000 0.1010 0.1560 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.1986 0.9049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 1.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1436 -0.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 -0.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0467 0.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9489 1.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1436 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0211 0.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8155 0.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8947 0.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8007 1.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0211 -1.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8947 -0.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8155 -1.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6892 -0.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8947 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6892 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 5 10 2 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 9 15 2 0 0 0 0 10 16 1 0 0 0 0 11 17 2 0 0 0 0 14 18 2 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 17 19 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00015126 > ALDRICH > D83532 > FLUKA > 42915 > - > - > 16245274 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 5.4815 -3.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9619 -3.2896 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 4.6619 -3.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9619 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4423 -2.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9993 -3.2906 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.5171 -3.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9993 -2.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5189 -2.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0367 -3.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 7 10 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00041346 > FLUKA > 32577 > - > - > - > - > 16245274 $$$$ 14 13 0 0 0 0 0 0 0 0 1 V2000 -2.5636 -0.8964 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.2635 -1.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5636 0.7549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2014 0.0479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1739 -1.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5291 -1.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2014 1.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2053 -1.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9396 -1.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6741 -1.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4131 -1.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1475 -1.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2014 -1.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00043052 > ALDRICH > 68215 > - > - > - > - > 16245274 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.3704 0.3773 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.9285 -0.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9896 -0.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3704 2.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9896 1.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9896 0.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9285 -2.0331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00134244 > ALDRICH > 362824 > FLUKA > 01515 > - > - > 16245274 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 0.0000 -1.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -0.6175 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 -0.6175 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -2.9181 -1.5505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 1.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9181 0.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9181 -1.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 1.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9181 0.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008275 > ALDRICH > 282138 > - > - > - > - > 16245274 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 0.0299 0.3544 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 -0.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7799 -0.9444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0299 1.8544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5299 0.3544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008274 > SIGMA-ALDRICH > T24007 > ALDRICH > 87921 > FLUKA > 87920 > 16245274 $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 -0.0574 1.6015 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.0574 -1.6015 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.0574 -0.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0574 0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6474 0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 -0.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6474 -0.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8193 2.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8193 2.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8193 -2.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8193 -2.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0574 2.4265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0574 -2.4265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 3 6 2 0 1 4 1 0 4 5 1 0 6 7 1 0 4 7 2 0 5 8 2 0 1 9 1 0 1 10 1 0 2 11 1 0 2 12 1 0 3 8 1 0 1 13 1 0 2 14 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00039790 > ALDRICH > 483192 > - > - > - > - > 16245274 $$$$ 6 6 0 0 0 0 0 0 0 0 1 V2000 0.0129 -0.3324 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.0129 1.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6747 0.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6747 0.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6747 -1.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6747 -1.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 1 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 2 3 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00039674 > ALDRICH > 41571 > - > - > - > - > 16245274 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.9173 0.4291 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.2296 -0.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9173 2.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 1.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3677 -0.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2296 -1.9458 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3677 -1.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4485 0.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4485 -2.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5292 -0.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5292 -1.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 2 0 0 0 0 9 11 2 0 0 0 0 10 11 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00040858 > ALDRICH > 347094 > - > - > - > - > 16245274 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.4551 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 1.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 1.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3555 0.5923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3555 0.5923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009017 > ALDRICH > 282588 > - > - > - > - > 16245274 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.2055 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 2 0 0 0 3 6 1 0 0 0 6 7 1 0 0 0 3 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00041344 > ALDRICH > 446335 > - > - > - > - > 16245274 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.8402 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.8402 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6652 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8402 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2363 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9508 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6652 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 6 5 1 0 0 0 7 6 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008635 > ALDRICH > 208264 > FLUKA > 06073 > - > - > 16245274 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -0.1258 -0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.9508 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9508 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3633 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1883 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6008 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1883 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3633 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3633 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1883 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6008 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1883 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3633 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 2 1 0 0 0 3 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 3 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003002 > ALDRICH > 148482 > FLUKA > 43290 > - > - > 16245274 $$$$ 19 21 0 0 0 0 0 0 0 0 1 V2000 0.8803 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.8803 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0553 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8803 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1822 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5947 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1822 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1658 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1658 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8803 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5947 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5947 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5947 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5947 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8803 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1658 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1658 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 3 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 3 1 0 0 0 4 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 4 1 0 0 0 2 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 2 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003003 > ALDRICH > 148504 > FLUKA > 93130 > - > - > 16245274 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 0.3505 -0.3664 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.6618 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9424 -1.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3505 1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6618 -2.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6755 -0.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0836 1.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7272 -3.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5963 -3.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7272 -1.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6755 0.9629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1352 1.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0836 3.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010340 > ALDRICH > 278785 > FLUKA > 92037 > - > - > 16245274 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -0.4111 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.2361 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4139 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4139 0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2361 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4139 -0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 2 5 1 0 0 0 5 6 1 0 0 0 5 7 1 0 0 0 5 8 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 5 6 7 8 M SBL 1 1 4 M SMT 1 CF3 M SBV 1 4 -8.2443 7.3133 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00145454 > ALDRICH > 488712 > - > - > - > - > 16245274 $$$$ 17 16 0 0 0 0 0 0 0 0 1 V2000 -0.0184 -0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.0184 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8434 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0184 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8434 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7328 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4473 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6961 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4106 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7328 2.0596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6961 -2.0596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5578 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2723 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5578 1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5578 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2723 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5578 -1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 6 2 1 0 7 6 1 0 8 4 1 0 9 8 1 0 6 10 2 0 8 11 2 0 1 5 1 0 12 5 1 0 13 12 1 0 12 14 2 0 15 3 1 0 16 15 1 0 15 17 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00026184 > FLUKA > 85369 > - > - > - > - > 16245274 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 0.8236 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.8236 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8236 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0014 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0014 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8236 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0014 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 4 5 1 0 0 0 4 6 1 0 0 0 4 7 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010754 > ALDRICH > 294764 > FLUKA > 19907 > - > - > 16245274 $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 7.0042 -6.0833 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 6.1792 -6.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 -6.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 -5.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2417 -6.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0708 -6.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -6.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -5.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -6.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 -6.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -6.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0042 -5.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0042 -6.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 -5.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 2 2 0 0 0 0 5 10 1 0 0 0 0 6 5 2 0 0 0 0 7 8 2 0 0 0 0 8 4 1 0 0 0 0 9 3 2 0 0 0 0 10 1 1 0 0 0 0 11 7 1 0 0 0 0 12 1 1 0 0 0 0 13 1 1 0 0 0 0 14 11 1 0 0 0 0 9 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01862880 > ALDRICH > 511048 > FLUKA > 05943 > - > - > 16245274 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8236 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008271 > ALDRICH > 197734 > FLUKA > 79268 > - > - > 16245274 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -1.0333 0.7208 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3750 0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9083 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4375 0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8458 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00027291 > ALDRICH > 53262 > - > - > - > - > 16245274 $$$$ 21 20 0 0 0 0 0 0 0 0 1 V2000 -2.9865 1.1453 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.6874 1.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2855 1.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9864 -0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6874 -1.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3884 -0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9105 -1.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2095 -0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5085 -1.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8075 -0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1065 -1.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1064 -2.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8074 -3.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5083 -2.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2977 -3.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9986 -2.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3003 -3.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5993 -2.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8984 -3.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1974 -2.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4964 -3.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010224 > ALDRICH > 276138 > - > - > - > - > 16245274 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 1.0625 -0.5667 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 1.6042 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 -1.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 2 2 0 0 0 0 8 3 1 0 0 0 0 9 8 1 0 0 0 0 10 7 1 0 0 0 0 11 6 2 0 0 0 0 12 10 2 0 0 0 0 11 12 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00053755 > ALDRICH > 41409 > - > - > - > - > 16245274 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 0.6591 -0.1205 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.6591 0.9511 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.7546 1.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4799 0.9033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1505 1.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6591 -0.1205 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.6591 -0.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4813 -0.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6591 0.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6591 -0.9455 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.4813 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6591 -1.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 6 1 0 0 0 1 10 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 2 5 1 0 0 0 6 7 1 0 0 0 6 8 1 0 0 0 6 9 1 0 0 0 10 11 1 0 0 0 10 12 1 0 0 0 10 13 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00077893 > ALDRICH > 360716 > FLUKA > 93411 > - > - > 16245274 $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 -0.9508 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1258 0.2062 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.1258 1.0313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1258 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9508 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6652 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3797 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5887 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3032 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6652 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3797 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 2 5 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 8 4 1 0 0 0 9 8 1 0 0 0 10 1 1 0 0 0 11 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009061 > ALDRICH > 390143 > - > - > - > - > 16245274 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.4522 0.3623 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8452 -0.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7497 -0.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4404 0.5308 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.7497 -1.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0921 0.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4289 -0.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4404 2.7269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4289 1.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0921 -2.7269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4289 -0.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4289 -1.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 2 0 0 0 0 10 12 2 0 0 0 0 11 12 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009838 > ALDRICH > 268585 > - > - > - > - > 16245274 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -2.4430 -0.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4430 -1.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1440 -2.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1549 -1.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1549 -0.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1440 0.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 0.4699 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.7530 -0.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 1.9699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4539 -1.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00039787 > ALDRICH > 483176 > FLUKA > 68741 > - > - > 16245274 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.4678 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 3 2 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 3 1 0 1 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 1 1 0 2 14 1 0 2 15 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00041326 > ALDRICH > 568007 > - > - > - > - > 16245274 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 0.0032 -0.0011 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.5787 0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3784 0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5942 -0.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3855 -0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5631 0.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3627 0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5858 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3855 -0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 1 4 1 0 0 0 4 5 1 0 0 0 6 7 1 0 0 0 1 6 1 0 0 0 8 9 1 0 0 0 8 1 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00041345 > ALDRICH > 348112 > - > - > - > - > 16245274 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -1.0765 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.0765 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9015 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0765 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9015 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 7 1 0 0 0 5 6 1 0 0 0 5 7 1 0 0 0 5 8 1 0 0 0 5 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00014851 > ALDRICH > 283134 > FLUKA > 52643 > - > - > 16245274 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 0.0082 -0.8142 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.0082 0.6858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4792 0.0435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4791 -1.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4585 -1.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2554 1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4792 1.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00025691 > ALDRICH > 104906 > FLUKA > 40160 > - > - > 16245274 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 0.0082 -0.8142 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.0082 0.6858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4792 0.0435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4791 -1.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4585 -1.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2554 1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4792 1.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00025691 > ALDRICH > 556688 > FLUKA > 40160 > - > - > 16245274 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.5763 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 -1.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 -1.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 0.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0353 -0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0353 -0.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7364 1.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0353 -0.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0918 -1.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0918 -1.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7928 0.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0918 0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 7 11 2 0 0 0 0 8 12 2 0 0 0 0 9 13 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00048161 > ALDRICH > 86717 > - > - > - > - > 16245274 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.0686 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 0.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3081 0.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.7289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -0.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3555 0.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3081 2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0565 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3555 -0.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 2 0 0 0 0 3 7 2 0 0 0 0 4 8 2 0 0 0 0 5 9 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008607 > ALDRICH > 318256 > FLUKA > 88160 > - > - > 16245274 $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 -0.2625 0.4333 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.1917 -0.2792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0083 -0.1917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7792 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0083 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 1.0167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3208 1.0167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 3 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 2 1 0 0 0 0 10 1 1 0 0 0 0 11 1 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00270996 > ALDRICH > 545236 > - > - > - > - > 16245274 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 0.4125 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5559 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7309 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 5 3 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 8 2 1 0 0 0 9 8 1 0 0 0 10 9 1 0 0 0 11 4 1 0 0 0 12 11 1 0 0 0 13 12 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009415 > ALDRICH > 278777 > - > - > - > - > 16245274 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -0.0000 -0.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.6032 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.9544 -1.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9587 -1.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4627 1.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4628 1.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008861 > ALDRICH > 248479 > - > - > - > - > 16245274 $$$$ 19 18 0 0 0 0 0 0 0 0 1 V2000 0.4125 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2704 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9849 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2704 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9849 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5559 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2704 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9849 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 14 1 0 0 0 1 3 1 0 0 0 4 2 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 8 7 1 0 0 0 9 3 1 0 0 0 10 9 1 0 0 0 11 10 1 0 0 0 12 11 1 0 0 0 13 12 1 0 0 0 15 14 1 0 0 0 16 15 1 0 0 0 17 16 1 0 0 0 18 17 1 0 0 0 19 18 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009519 > ALDRICH > 276146 > - > - > - > - > 16245274 $$$$ 26 25 0 0 0 0 0 0 0 0 1 V2000 7.0209 -3.7065 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 5.4019 -3.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8019 -2.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6019 -2.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0019 -1.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8019 -1.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2019 -0.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0019 -0.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 0.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7980 0.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3980 1.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5980 1.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1980 2.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3980 2.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9980 3.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1980 3.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7980 4.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9980 4.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5980 5.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0209 -2.8664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0599 -2.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0989 -2.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0209 -4.5465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0599 -5.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0989 -4.5465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2209 -3.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 23 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00026674 > ALDRICH > 452793 > - > - > - > - > 16245274 $$$$ 18 19 0 0 0 0 0 0 0 0 1 V2000 1.1849 0.0374 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.1849 0.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3549 1.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3549 2.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1849 2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0149 2.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0149 1.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1849 -0.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0149 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0149 -1.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1849 -2.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3549 -1.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3549 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7249 -0.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2449 0.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4349 0.0374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9149 0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 8 13 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00053753 > ALDRICH > 483419 > - > - > - > - > 16245274 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 6.2520 -3.2087 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.7614 -2.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7427 -2.9146 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 5.2333 -3.2087 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.7187 -2.9108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2333 -3.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2520 -3.7962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4486 -2.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0368 -2.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 1 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008296 > ALDRICH > 235660 > - > - > - > - > 16245274 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -0.3313 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.3313 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3313 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1563 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7452 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1563 -0.7120 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 5 6 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00000167 > ALDRICH > 249777 > FLUKA > 17622 > - > - > 16245274 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.4842 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4842 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7697 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0553 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0553 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7697 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 0.4125 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6592 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 9 5 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00039792 > ALDRICH > 483141 > - > - > - > - > 16245274 $$$$ 21 24 0 0 0 0 0 0 0 0 1 V2000 0.8958 -0.0292 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 0.6417 0.7542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6000 -0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0833 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1417 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1875 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1417 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1875 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8583 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8583 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6125 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6125 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 5 2 0 0 0 0 9 4 2 0 0 0 0 10 6 1 0 0 0 0 11 7 1 0 0 0 0 12 1 1 0 0 0 0 13 1 1 0 0 0 0 14 7 2 0 0 0 0 15 6 2 0 0 0 0 16 10 2 0 0 0 0 17 11 2 0 0 0 0 18 14 1 0 0 0 0 19 15 1 0 0 0 0 20 18 2 0 0 0 0 21 16 1 0 0 0 0 9 11 1 0 0 0 0 10 8 1 0 0 0 0 17 20 1 0 0 0 0 19 21 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00674015 > ALDRICH > 445622 > - > - > - > - > 16245274 $$$$ 21 23 0 0 0 0 0 0 0 0 1 V2000 -0.0001 0.1812 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.7143 0.5937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7143 0.5936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5835 -0.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7143 1.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4288 1.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1433 1.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1433 0.5936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4288 0.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7143 1.4184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4085 -0.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8210 -1.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4085 -1.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5835 -1.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 -1.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7143 -0.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7143 -1.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4288 -1.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1433 -1.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1433 -0.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4288 0.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 3 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 3 1 0 0 0 2 10 2 0 0 0 4 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 4 2 0 0 0 1 16 1 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 16 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00051542 > ALDRICH > 362689 > - > - > - > - > 16245274 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.9484 -0.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6494 -0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.6494 -0.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9484 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6494 1.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6494 -1.4999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00054835 > ALDRICH > 555878 > - > - > - > - > 16245274 $$$$ 26 25 0 0 0 0 0 0 0 0 1 V2000 0.0000 1.3495 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 1.3495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9839 1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2719 1.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5600 1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 1.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 1.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 0.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1360 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 0.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5600 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2719 0.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9839 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1100 -1.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 -1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6860 -1.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 -1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 -1.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1619 -1.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8739 -1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 3 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 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 1 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 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 8 3 4 5 6 7 8 9 10 M SBL 1 1 2 M SMT 1 CH2(CH2)6CH3 M SBV 1 2 -2.2778 7.5183 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 8 11 12 13 14 15 16 17 18 M SBL 2 1 10 M SMT 2 CH2(CH2)6CH3 M SBV 2 10 -7.2617 6.2823 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 8 19 20 21 22 23 24 25 26 M SBL 3 1 18 M SMT 3 CH2(CH2)6CH3 M SBV 3 18 -4.1517 4.4083 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00053812 > ALDRICH > 448923 > - > - > - > - > 16245274 $$$$ 15 14 0 0 0 0 0 0 0 0 1 V2000 0.6180 -0.5245 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 0.3005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -1.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 -1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 -1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 1.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 1.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 1.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 3 4 1 0 0 0 3 5 1 0 0 0 2 6 1 0 0 0 2 7 1 0 0 0 1 15 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 8 8 9 10 11 12 13 14 15 M SBL 1 1 7 M SMT 1 CH3(CH2)6CH^2 M SBV 1 7 -5.3713 7.4324 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00192057 > ALDRICH > 385557 > - > - > - > - > 16245274 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 -0.0899 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.0899 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0899 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7351 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9149 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4934 1.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3184 -0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3184 0.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3184 -0.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6245 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3184 0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6733 -1.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6733 1.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 2 6 1 0 4 7 1 0 5 8 1 0 9 5 1 0 3 10 1 0 4 11 1 0 3 12 1 0 2 13 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00014859 > ALDRICH > 590568 > - > - > - > - > 16245274 $$$$ 29 34 0 0 0 0 0 0 0 0 1 V2000 6.8750 -6.0375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5667 -6.0708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7000 -6.0458 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 6.3792 -6.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0417 -5.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0625 -6.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6083 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8333 -5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8417 -6.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7083 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 -6.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -7.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -4.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8625 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9042 -7.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -5.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4375 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4625 -7.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -6.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -3.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5250 -8.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4667 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3042 -7.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2542 -4.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1375 -7.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 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 2 1 0 0 0 0 7 2 1 0 0 0 0 8 5 2 0 0 0 0 9 6 2 0 0 0 0 10 7 2 0 0 0 0 11 4 2 0 0 0 0 12 3 1 0 0 0 0 13 3 1 0 0 0 0 14 4 1 0 0 0 0 15 5 1 0 0 0 0 16 6 1 0 0 0 0 17 7 1 0 0 0 0 18 8 1 0 0 0 0 19 9 1 0 0 0 0 20 10 1 0 0 0 0 21 11 1 0 0 0 0 22 14 2 0 0 0 0 23 15 2 0 0 0 0 24 17 2 0 0 0 0 25 16 2 0 0 0 0 26 23 1 0 0 0 0 27 24 1 0 0 0 0 28 25 1 0 0 0 0 29 21 2 0 0 0 0 11 8 1 0 0 0 0 22 29 1 0 0 0 0 18 26 2 0 0 0 0 10 9 1 0 0 0 0 27 20 2 0 0 0 0 19 28 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00674014 > ALDRICH > 445614 > - > - > - > - > 16245274 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.5935 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5935 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0225 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0225 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1209 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9459 0.4125 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.9459 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9459 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0225 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6579 -0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 7 2 1 0 0 0 8 7 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 10 12 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01863486 > ALDRICH > 409391 > - > - > - > - > 16245274 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 3.2375 -2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7463 -2.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2551 -2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7463 -1.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 -2.0125 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 5.2708 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7583 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2708 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 5 1 0 0 0 0 2 3 1 0 0 0 0 5 6 1 0 0 0 0 1 2 2 0 0 0 0 5 7 1 0 0 0 0 2 4 1 0 0 0 0 5 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00054404 > ALDRICH > 510262 > - > - > - > - > 16245274 $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 0.0798 0.2620 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.1563 0.2620 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0798 -0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7918 -0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6322 -0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7452 0.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1563 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1563 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0798 0.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7918 -0.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6322 -0.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 3 4 1 0 0 0 3 5 1 0 0 0 1 6 1 0 0 0 6 7 1 0 0 0 6 8 1 0 0 0 1 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 3 4 5 M SBL 1 1 2 M SMT 1 i-Pr M SBV 1 2 -7.8296 5.3667 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 6 7 8 M SBL 2 1 5 M SMT 2 ^i-Pr M SBV 2 5 -8.6546 6.1917 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 3 9 10 11 M SBL 3 1 8 M SMT 3 i-Pr M SBV 3 8 -7.8296 6.1917 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00216593 > ALDRICH > 429937 > - > - > - > - > 16245274 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -0.0132 -0.1038 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.0132 0.7212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8382 -0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5527 0.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 -0.3101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 -0.7212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8407 0.0148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5527 -0.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 4 3 2 0 0 0 1 5 1 0 0 0 5 6 1 0 0 0 1 7 1 0 0 0 7 8 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 5 6 M SBL 1 1 4 M SMT 1 OCH3 M SBV 1 4 -7.2891 6.3501 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 7 8 M SBL 2 1 6 M SMT 2 OCH3 M SBV 2 6 -6.0804 6.6750 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00129170 > ALDRICH > 446203 > - > - > - > - > 16245274 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 0.7404 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.7404 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0846 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7404 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8169 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7991 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5135 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2280 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 6 3 1 0 0 0 7 6 1 0 0 0 8 7 1 0 0 0 5 9 1 0 0 0 5 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00674106 > ALDRICH > 466824 > - > - > - > - > 16245274 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4118 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010670 > ALDRICH > 305359 > - > - > - > - > 16245274 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 -0.5089 -0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.3161 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0305 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7450 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5089 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2209 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2031 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5089 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2031 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2209 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3339 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 1 11 1 0 0 0 1 8 1 0 0 0 1 2 1 0 0 0 3 2 1 0 0 0 4 3 2 0 0 0 5 6 1 0 0 0 5 7 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00075115 > ALDRICH > 338060 > - > - > - > - > 16245274 $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 -0.7133 0.4555 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.7133 -0.4555 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.8680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7156 -0.4555 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.7156 0.4555 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.8680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7133 -1.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7133 1.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7156 1.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7922 0.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7156 -1.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7922 -0.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7922 0.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7922 -0.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 2 7 1 0 0 0 1 8 1 0 0 0 5 9 1 0 0 0 5 10 1 0 0 0 4 11 1 0 0 0 4 12 1 0 0 0 1 13 1 0 0 0 2 14 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00457421 > ALDRICH > 515167 > - > - > - > - > 16245274 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 -0.3313 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.3313 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1563 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3313 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5674 -0.7120 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.5674 0.7120 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7452 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7452 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5674 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7452 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 3 5 1 0 0 0 3 6 1 0 0 0 1 7 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 7 8 9 10 M SBL 1 1 6 M SMT 1 t-Bu M SBV 1 6 -5.4884 6.0156 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00799497 > ALDRICH > 410683 > - > - > - > - > 16245274 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.4125 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0164 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 0.2062 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 7 2 1 0 0 0 8 7 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00799522 > ALDRICH > 467146 > - > - > - > - > 16245274 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 -0.3625 -2.7167 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 -0.3625 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0792 -3.9542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1875 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8375 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4250 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6625 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 9 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00674506 > FLUKA > 25121 > - > - > - > - > 16245274 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.3313 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.1563 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3313 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3313 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7452 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1563 0.7120 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1563 -0.7120 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 5 6 1 0 0 0 5 7 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00051448 > ALDRICH > 220140 > - > - > - > - > 16245274 $$$$ 14 13 0 0 0 0 0 0 0 0 1 V2000 -1.1758 -0.7055 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.9623 -1.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4124 0.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9786 -0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1384 -0.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 -0.6474 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5509 -1.2664 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1384 0.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 1.3334 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6823 0.4691 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1910 0.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4722 -0.0701 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9786 0.9382 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0014 1.5024 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 5 6 1 0 0 0 5 7 1 0 0 0 5 8 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 11 14 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00216712 > ALDRICH > 431044 > - > - > - > - > 16245274 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -1.5395 0.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -0.1650 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 0.2475 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -0.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6115 -0.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 0.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 0.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 0.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 1 0 0 0 2 5 1 0 0 0 3 6 1 0 0 0 3 7 1 0 0 0 3 8 1 0 0 0 8 9 3 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03427185 > ALDRICH > 557293 > - > - > - > - > 16245274 $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 -1.0980 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.0980 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0980 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8465 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.8465 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1934 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8465 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9230 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1934 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1934 -0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 7 1 0 0 0 5 6 1 0 0 0 5 7 1 0 0 0 5 8 1 0 0 0 5 9 1 0 0 0 7 10 1 0 0 0 7 11 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00192003 > ALDRICH > 390577 > - > - > - > - > 16245274 $$$$ 12 11 0 0 0 0 0 0 0 0 1 V2000 -0.4125 0.0333 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.0000 0.9833 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 -0.9958 -0.9792 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 0.9958 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8208 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 1.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 3 1 0 0 0 0 11 3 1 0 0 0 0 12 2 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00545193 > ALDRICH > 578932 > - > - > - > - > 16245274 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 -0.4830 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5935 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0225 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7370 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0225 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7370 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 6 3 1 0 0 0 7 6 1 0 0 0 8 5 1 0 0 0 9 8 1 0 0 0 10 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00053947 > ALDRICH > 588857 > - > - > - > - > 16245274 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -0.6180 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4430 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 3 5 1 0 4 6 1 0 1 7 1 0 1 8 1 0 1 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00048523 > ALDRICH > 586242 > - > - > - > - > 16245274 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 6.6921 -7.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6921 -6.7208 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 7.5190 -6.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9312 -7.4347 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.6921 -5.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8688 -6.7221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4558 -6.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 1 1 0 0 0 0 6 7 1 0 0 0 0 G 6 2 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 6 7 M SBL 1 1 4 M SMT 1 OCH3 M SBV 1 4 0.8300 0.0100 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD05664349 > ALDRICH > 597759 > - > - > - > - > 16245274 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -1.7862 -0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.5635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.1510 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.1510 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7697 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0553 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 3 2 1 0 4 3 1 0 5 4 1 0 6 5 1 0 4 7 1 0 4 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00045263 > ALDRICH > 594008 > - > - > - > - > 16245274 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 -0.3313 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.3313 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1563 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3313 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5674 -0.7120 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.5674 0.7120 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7452 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7452 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5674 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7452 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 3 5 1 0 0 0 3 6 1 0 0 0 1 7 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 7 8 9 10 M SBL 1 1 6 M SMT 1 t-Bu M SBV 1 6 -5.4884 6.0156 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01863488 > ALDRICH > 410691 > - > - > - > - > 16245274 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.5370 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5370 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2515 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2515 -1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 0.4118 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2515 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 2 7 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 11 10 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00053857 > ALDRICH > 483435 > - > - > - > - > 16245274 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 3 6 1 0 0 0 6 7 1 0 0 0 6 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01321326 > ALDRICH > 476862 > - > - > - > - > 16245274 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -2.1974 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1974 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 -0.4132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7685 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7685 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0565 -0.4118 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.7685 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0565 -1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0565 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4830 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1974 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 11 8 1 0 0 0 12 11 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD09265157 > ALDRICH > 681482 > - > - > - > - > 16245274 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.0899 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -2.5499 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4998 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0899 -0.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0899 0.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1098 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5499 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 3 2 0 0 0 0 6 7 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00053855 > ALDRICH > 409197 > - > - > - > - > 16245274 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 1.6929 0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6929 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 -0.5750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7321 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7321 0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2517 -0.5750 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 3.4070 0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9892 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7713 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2910 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06797092 > ALDRICH > 682047 > - > - > - > - > 16245274 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 4.4819 -2.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4819 -3.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0015 -3.4033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5211 -3.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5211 -2.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0015 -2.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0407 -3.4033 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 6.5604 -3.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0407 -4.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06797091 > ALDRICH > 681490 > - > - > - > - > 16245274 $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 -2.3797 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6652 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1258 0.2062 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.1258 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9508 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1258 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9508 0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6652 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3797 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9508 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6652 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 5 2 1 0 0 0 3 4 1 0 0 0 3 5 1 0 0 0 3 6 1 0 0 0 3 7 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 10 7 1 0 0 0 11 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06798089 > ALDRICH > 641820 > - > - > - > - > 16245274 $$$$ 17 17 0 0 0 0 0 0 0 0 1 V2000 6.0167 -6.0750 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 5.0875 -6.9167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.8542 -6.8750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9292 -7.7167 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -4.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -6.9167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0250 -6.8750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6000 -4.1500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0250 -6.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8500 -6.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -7.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -6.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -6.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0250 -7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 5 1 0 0 0 0 9 7 1 0 0 0 0 10 7 1 0 0 0 0 11 6 1 0 0 0 0 12 6 1 0 0 0 0 13 6 1 0 0 0 0 14 7 1 0 0 0 0 15 8 1 0 0 0 0 16 8 1 0 0 0 0 17 8 1 0 0 0 0 2 4 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD02683494 > ALDRICH > 527262 > - > - > - > - > 16245274 $$$$ 12 11 0 0 0 0 0 0 0 0 1 V2000 -4.4215 -0.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1225 -1.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8235 -0.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5245 -1.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7744 -0.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0734 -1.0149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3724 -0.2649 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 4.6715 -1.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7744 1.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7744 -1.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3724 1.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3724 -1.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 3 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01863571 > ALDRICH > 495247 > - > - > - > - > 16245274 $$$$ 26 27 0 0 0 0 0 0 0 0 1 V2000 -2.1470 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9095 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5595 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0845 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.9095 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1470 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5595 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1470 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0845 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9109 1.4265 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5581 1.4265 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3816 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5581 -1.4265 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9109 -1.4265 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9109 -1.4265 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5581 -1.4265 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.3816 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5581 1.4265 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9109 1.4265 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0845 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6465 -0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 3 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 8 2 0 7 14 1 0 13 15 1 0 12 16 1 0 11 17 1 0 10 18 1 0 9 19 1 0 2 20 1 0 1 21 1 0 6 22 1 0 5 23 1 0 4 24 1 0 7 25 1 0 25 26 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00191925 > ALDRICH > 388769 > - > - > - > - > 16245274 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.5935 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0225 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0225 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5935 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9459 0.4125 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.9459 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1209 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9459 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0225 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1185 -1.2361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 2 1 1 0 0 0 3 2 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 7 11 1 0 0 0 6 12 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00799505 > ALDRICH > 470422 > - > - > - > - > 16245274 $$$$ 21 20 0 0 0 0 0 0 0 0 1 V2000 -0.1258 -0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.1258 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9508 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1258 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9508 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7758 -0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.7758 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5979 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7758 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7758 -0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.7758 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5979 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7758 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5862 1.2361 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.1751 1.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2982 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9973 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5862 -1.2361 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.9973 -0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2982 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1751 -1.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 3 10 1 0 0 0 2 14 1 0 0 0 5 6 1 0 0 0 4 18 1 0 0 0 6 7 1 0 0 0 6 8 1 0 0 0 6 9 1 0 0 0 10 11 1 0 0 0 10 12 1 0 0 0 10 13 1 0 0 0 14 15 1 0 0 0 14 16 1 0 0 0 14 17 1 0 0 0 18 19 1 0 0 0 18 20 1 0 0 0 18 21 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00051587 > ALDRICH > 454516 > - > - > - > - > 16245274 $$$$ 16 15 0 0 0 0 0 0 0 0 1 V2000 6.0698 -3.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5894 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1090 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5502 -3.1542 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 5.5502 -2.4604 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 5.5502 -3.9417 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 4.9706 -3.3095 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 4.9704 -3.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9704 -2.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0324 -2.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0680 -2.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5502 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0326 -4.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0681 -4.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3706 -3.3095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5502 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 1 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 6 16 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD11656064 > ALDRICH > 698180 > - > - > - > - > 16245274 $$$$