9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7132 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7105 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7105 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4267 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4267 -1.2362 0.0000 C 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 1 6 1 0 6 7 1 0 2 8 1 0 4 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008538 > ALDRICH > M7200 > - > - > - > - > 16260571 $$$$ 14 16 0 0 0 0 0 0 0 0 1 V2000 -0.4125 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 2 1 0 1 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 1 1 0 7 13 1 0 13 14 1 0 14 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001164 > ALDRICH > D106003 > FLUKA > 37349 > - > - > 16260571 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 0.0129 -0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0129 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6975 -0.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6975 -0.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6975 0.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6975 0.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6975 -1.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6975 -1.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6975 1.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6975 1.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0129 -2.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0129 2.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 1 4 1 0 2 5 1 0 2 6 1 0 3 7 1 0 4 8 2 0 5 9 1 0 6 10 1 0 8 11 1 0 10 12 1 0 7 11 2 0 9 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001451 > ALDRICH > C104809 > FLUKA > 78320 > - > - > 16260571 $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 -1.7862 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -0.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3508 0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0671 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7806 0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7806 1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0671 2.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3508 1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3596 -1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0758 -2.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0758 -0.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 5 7 1 0 4 8 1 0 7 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 7 13 1 0 8 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 8 18 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003055 > ALDRICH > T2800 > FLUKA > 86467 > - > - > 16260571 $$$$ 14 16 0 0 0 0 0 0 0 0 1 V2000 0.9367 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9367 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4562 -1.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9758 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9758 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4562 -0.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4954 -1.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0149 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0149 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4954 -0.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5345 -1.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0540 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5345 -0.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0433 -0.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 13 9 1 0 0 0 0 13 14 2 0 0 0 0 14 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001239 > ALDRICH > 126179 > FLUKA > 37280 > - > - > 16260571 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.7628 2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5379 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4572 1.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8308 2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4572 -1.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3684 2.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1237 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3684 -2.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2796 1.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4165 2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2796 -1.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2796 1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00009526 > ALDRICH > P25701 > FLUKA > 53160 > - > - > 16260571 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 6 7 1 0 0 0 5 8 1 0 0 0 4 9 1 0 0 0 3 10 1 0 0 0 2 11 1 0 0 0 1 12 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008523 > ALDRICH > 429082 > FLUKA > 52611 > - > - > 16260571 $$$$ 18 21 0 0 0 0 0 0 0 0 1 V2000 -2.5006 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 10 1 0 11 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003698 > ALDRICH > C80008 > - > - > - > - > 16260571 $$$$ 20 23 0 0 0 0 0 0 0 0 1 V2000 0.0572 0.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7247 0.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4697 1.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3553 1.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6102 0.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0572 -0.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6547 -0.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3692 -0.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0837 -0.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0837 -1.7642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3692 -2.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6547 -1.7642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5317 0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0837 1.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8287 2.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0218 2.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9073 2.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7143 2.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9692 1.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4172 0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 1 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 2 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 3 1 0 4 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 5 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00019092 > ALDRICH > 569623 > - > - > - > - > 16260571 $$$$ 16 18 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 2 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 10 15 1 0 7 16 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001262 > ALDRICH > D146706 > FLUKA > 39555 > - > - > 16260571 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.4265 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 4 10 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008888 > ALDRICH > 255270 > FLUKA > 30035 > - > - > 16260571 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.3581 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3467 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3581 1.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0629 -0.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3496 -1.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0658 1.4311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3438 1.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0629 -1.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 -1.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0658 -1.4311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 1 4 1 0 2 5 1 0 3 6 1 0 3 7 1 0 4 8 2 0 8 9 1 0 5 9 2 0 10 5 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008891 > ALDRICH > 255289 > - > - > - > - > 16260571 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -0.0101 -0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6889 -0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0101 0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 -0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6889 0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6891 -0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6891 0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 -0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 2 0 2 4 2 0 3 5 1 0 1 6 1 0 3 7 1 0 5 8 1 0 6 9 2 0 9 10 1 0 7 10 2 0 4 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001672 > ALDRICH > 430986 > FLUKA > 37340 > - > - > 16260571 $$$$ 15 15 0 0 0 0 0 0 0 0 1 V2000 -0.7117 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7117 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 1.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7117 1.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7149 1.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4282 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1415 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4282 -1.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4253 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1415 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4253 -1.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 4 10 1 0 10 11 1 0 10 12 1 0 2 13 1 0 13 14 1 0 13 15 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008890 > ALDRICH > 161004 > FLUKA > 92075 > - > - > 16260571 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 6 7 1 0 0 0 5 8 1 0 0 0 4 9 1 0 0 0 3 10 1 0 0 0 2 11 1 0 0 0 1 12 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008523 > ALDRICH > 322377 > FLUKA > 52611 > - > - > 16260571 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.0013 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0101 -0.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 0.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7035 -1.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6918 1.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3879 0.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6947 -1.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4081 -0.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7234 -1.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4081 -0.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3966 1.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 1.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 2 4 1 0 3 5 1 0 3 6 2 0 2 7 1 0 6 8 1 0 4 9 1 0 4 10 1 0 5 11 1 0 5 12 1 0 7 8 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008889 > ALDRICH > 113263 > FLUKA > 38350 > - > - > 16260571 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -0.0101 -0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6889 -0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0101 0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 -0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6889 0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6891 -0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6891 0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 -0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 2 0 2 4 2 0 3 5 1 0 1 6 1 0 3 7 1 0 5 8 1 0 6 9 2 0 9 10 1 0 7 10 2 0 4 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001672 > ALDRICH > D105937 > FLUKA > 37340 > - > - > 16260571 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.0013 -0.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0013 0.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6918 -0.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6918 0.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6918 0.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6918 -0.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0013 1.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0013 -1.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6918 2.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6918 2.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6918 -2.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6918 -2.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 1 3 2 0 3 4 1 0 5 6 2 0 1 6 1 0 2 7 1 0 1 8 1 0 7 9 1 0 7 10 1 0 8 11 1 0 8 12 1 0 2 5 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008892 > ALDRICH > 126276 > FLUKA > 38355 > - > - > 16260571 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.0087 1.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7162 0.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0143 1.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7046 0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7106 -0.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0027 -0.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7162 -0.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0029 -1.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7075 -1.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 1 3 1 0 1 4 1 0 2 5 1 0 6 7 1 0 4 7 2 0 5 6 2 0 8 6 1 0 8 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00009263 > ALDRICH > E49800 > FLUKA > 04943 > - > - > 16260571 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 0.4558 0.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4558 2.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6432 0.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6431 -0.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6432 -1.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9825 0.8610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6431 -2.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9824 0.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9825 -2.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3218 0.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9824 -2.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3218 -0.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3218 -1.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3218 -2.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 2 0 0 0 0 8 12 1 0 0 0 0 9 13 2 0 0 0 0 10 14 2 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 13 15 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008794 > ALDRICH > D211508 > FLUKA > 43181 > - > - > 16260571 $$$$ 22 26 0 0 0 0 0 0 0 0 1 V2000 -2.8579 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 6 1 0 7 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 8 1 0 12 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 13 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 18 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003708 > ALDRICH > D31400 > - > - > - > - > 16260571 $$$$ 22 26 0 0 0 0 0 0 0 0 1 V2000 -2.5006 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 14 1 0 11 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003603 > ALDRICH > D31206 > FLUKA > 33528 > - > - > 16260571 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 -1.4077 2.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1088 1.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1179 1.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1898 2.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1179 -1.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0380 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4887 1.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0380 -2.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9583 1.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7957 2.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9583 -1.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0947 1.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9583 2.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00009545 > ALDRICH > 113182 > - > - > - > - > 16260571 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 4.4008 -4.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4008 -3.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1141 -2.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8245 -3.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8245 -4.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1141 -4.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1141 -2.0957 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1141 -1.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9391 -2.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2888 -2.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1148 -5.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 6 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008837 > ALDRICH > 510025 > FLUKA > 20650 > - > - > 16260571 $$$$ 13 15 0 0 0 0 0 0 0 0 1 V2000 -1.7706 0.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0264 -0.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4751 -0.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6679 -0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4121 0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9635 0.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -0.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -0.4577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4129 0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4737 -0.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0264 -0.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7724 0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9656 0.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001111 > ALDRICH > 418196 > FLUKA > 46890 > - > - > 16260571 $$$$ 13 15 0 0 0 0 0 0 0 0 1 V2000 -1.7706 0.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0264 -0.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4751 -0.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6679 -0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4121 0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9635 0.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -0.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -0.4577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4129 0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4737 -0.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0264 -0.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7724 0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9656 0.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001111 > ALDRICH > 128333 > FLUKA > 46890 > - > - > 16260571 $$$$ 24 24 0 0 0 0 0 0 0 0 1 V2000 -5.1669 2.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1669 1.6921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4524 1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 1.6921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 2.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4524 2.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0519 -2.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3399 -2.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6279 -2.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9159 -2.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 -2.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 -2.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -2.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -2.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -2.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -2.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -2.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 -2.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 -2.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2040 -2.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9159 -2.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6279 -2.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3399 -2.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0519 -2.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 M SAL 1 3 22 23 24 M SBL 1 1 7 M SMT 1 CH2(CH2)16CH3 M SBV 1 7 2.0289 2.3542 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00048500 > FLUKA > 74755 > - > - > - > - > 16260571 $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 -2.6791 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2666 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4416 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0291 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4416 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2666 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2041 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2084 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2041 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0291 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2084 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0334 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4459 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0334 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6777 1.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2680 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6791 -1.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6791 0.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 7 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 8 1 0 6 15 1 0 13 16 1 0 16 17 1 0 16 18 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00016358 > ALDRICH > 393959 > - > - > - > - > 16260571 $$$$ 15 18 0 0 0 0 0 0 0 0 1 V2000 -1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0721 1.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 10 14 1 0 14 15 1 0 15 6 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003804 > ALDRICH > 261424 > - > - > - > - > 16260571 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7032 0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0043 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6976 1.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4166 -0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0013 -0.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7147 -1.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4282 -0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4282 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 1 3 1 0 1 4 1 0 2 5 1 0 6 7 1 0 4 7 2 0 5 6 2 0 8 5 1 0 8 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00009259 > ALDRICH > E49606 > FLUKA > 04942 > - > - > 16260571 $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 -1.7819 1.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7819 0.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0686 -0.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3582 0.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3582 1.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0686 1.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3551 1.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0713 1.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 1.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 2.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0713 2.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3551 2.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0686 -1.0257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -1.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0686 -2.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3553 -2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3553 -1.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 7 12 1 0 3 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 13 18 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003059 > ALDRICH > T3009 > FLUKA > 86468 > - > - > 16260571 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -0.4125 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0611 1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 1 1 0 0 0 2 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 2 2 0 0 0 11 13 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008533 > ALDRICH > P36401 > - > - > - > - > 16260571 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.4265 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008881 > ALDRICH > C87657 > FLUKA > 28230 > - > - > 16260571 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 3.7012 -2.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7012 -3.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -3.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7404 -3.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7404 -2.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -2.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2583 -2.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7779 -2.9031 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1725 -2.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7779 -3.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -3.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 8 10 1 0 0 0 0 1 2 2 0 0 0 0 8 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00038279 > ALDRICH > 359076 > FLUKA > 41532 > - > - > 16260571 $$$$ 16 16 0 0 0 0 0 0 0 0 1 V2000 -3.3601 2.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0612 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0623 1.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7623 2.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0623 -1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9825 2.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5444 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9825 -2.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9105 1.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8432 2.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9105 -1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1421 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4410 2.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7400 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 2.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9105 1.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008955 > ALDRICH > 113212 > FLUKA > 78368 > - > - > 16260571 $$$$ 16 18 0 0 0 0 0 0 0 0 1 V2000 -1.7887 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7887 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0742 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3597 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3597 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0742 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0742 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0742 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3597 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3597 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0742 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7887 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7887 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0742 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0742 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0742 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 3 8 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 14 15 1 0 11 16 1 0 7 15 1 0 8 16 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003707 > ALDRICH > P225 > FLUKA > 76225 > - > - > 16260571 $$$$ 18 18 0 0 0 0 0 0 0 0 1 V2000 6.1792 -2.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1787 -3.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -1.8836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7460 -3.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7477 -2.2970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4597 -3.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0308 -3.5330 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4426 -4.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3144 -3.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6189 -2.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9027 -3.5399 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3182 -2.8172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6253 -3.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4870 -4.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4688 -1.0586 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2917 -1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 -0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 3 5 2 0 0 0 0 2 6 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 2 11 1 0 0 0 0 3 15 1 0 0 0 0 1 2 2 0 0 0 0 15 16 1 0 0 0 0 1 3 1 0 0 0 0 15 17 1 0 0 0 0 4 5 1 0 0 0 0 15 18 1 0 0 0 0 G 7 4 t-Bu G 11 2 t-Bu M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 4 7 8 9 10 M SBL 1 1 7 M SDI 1 4 4.1600 -3.2100 4.3700 -3.5700 M SMT 1 t-Bu M SBV 1 7 0.7200 0.4000 M SAL 2 4 11 12 13 14 M SBL 2 1 11 M SDI 2 4 6.5500 -3.5700 6.7600 -3.2200 M SMT 2 t-Bu M SBV 2 11 -0.7300 0.4100 M SDS EXP 2 1 2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008831 > ALDRICH > 223778 > FLUKA > 90793 > - > - > 16260571 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7032 0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0043 0.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6833 0.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6976 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4166 -0.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0013 -0.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4282 0.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7147 -1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4282 -0.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 2 3 1 0 1 4 1 0 1 5 1 0 2 6 1 0 3 7 1 0 8 9 1 0 5 9 2 0 6 8 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00009257 > ALDRICH > E49401 > FLUKA > 04941 > - > - > 16260571 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 0.2689 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2689 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3761 0.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1805 0.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5384 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1805 -0.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3761 -0.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0535 -0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5384 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0535 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 1 2 0 0 0 1 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 2 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003810 > ALDRICH > A97203 > - > - > - > - > 16260571 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 4.4008 -4.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4008 -3.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1141 -2.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8245 -3.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8245 -4.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1141 -4.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1141 -2.0957 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1141 -1.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9391 -2.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2888 -2.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1148 -5.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 6 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008837 > ALDRICH > B102628 > FLUKA > 20650 > - > - > 16260571 $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 -2.9119 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9119 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1974 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1974 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7685 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7685 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6604 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3749 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3749 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6604 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0869 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0869 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9119 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0869 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 5 1 0 0 0 8 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 9 1 0 0 0 13 15 1 0 0 0 15 16 1 0 0 0 15 17 1 0 0 0 15 18 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003581 > ALDRICH > 222267 > - > - > - > - > 16260571 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -0.4125 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4139 1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 1 1 0 0 0 2 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 2 2 0 0 0 12 13 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008517 > ALDRICH > 292192 > - > - > - > - > 16260571 $$$$ 22 22 0 0 0 0 0 0 0 0 1 V2000 -0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5699 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2843 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9988 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5699 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2843 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9988 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 3 8 1 0 9 7 1 0 10 9 1 0 11 10 1 0 12 11 1 0 13 12 1 0 14 8 1 0 15 14 1 0 16 15 1 0 17 16 1 0 18 17 1 0 14 19 1 0 19 20 1 0 9 21 1 0 21 22 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD06200711 > ALDRICH > 636738 > - > - > - > - > 16260571 $$$$ 30 30 0 0 0 0 0 0 0 0 1 V2000 2.0563 -6.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0563 -6.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -7.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4853 -6.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4853 -6.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -5.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -4.8306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -8.1306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4833 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9083 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6208 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3333 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0458 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7583 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4708 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1833 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8958 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6083 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4833 -8.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9083 -8.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6208 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3333 -8.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0458 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7583 -8.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4708 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1833 -8.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8958 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6083 -8.5417 0.0000 C 0 0 0 0 0 0 0 0 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 6 7 1 0 0 0 0 16 17 1 0 0 0 0 1 2 2 0 0 0 0 17 18 1 0 0 0 0 3 8 1 0 0 0 0 18 19 1 0 0 0 0 2 3 1 0 0 0 0 8 20 1 0 0 0 0 7 9 1 0 0 0 0 20 21 1 0 0 0 0 3 4 2 0 0 0 0 21 22 1 0 0 0 0 9 10 1 0 0 0 0 22 23 1 0 0 0 0 4 5 1 0 0 0 0 23 24 1 0 0 0 0 10 11 1 0 0 0 0 24 25 1 0 0 0 0 5 6 2 0 0 0 0 25 26 1 0 0 0 0 11 12 1 0 0 0 0 26 27 1 0 0 0 0 6 1 1 0 0 0 0 27 28 1 0 0 0 0 12 13 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD05865207 > ALDRICH > 637041 > - > - > - > - > 16260571 $$$$ 20 24 0 0 0 0 0 0 0 0 1 V2000 -2.8579 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 10 1 0 11 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 15 1 0 8 16 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00010582 > ALDRICH > 275336 > - > - > - > - > 16260571 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 1.9321 1.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2296 0.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9321 3.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2296 2.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7413 0.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7413 -0.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5954 1.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5954 -1.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9321 0.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5954 -3.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9321 -0.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2296 -1.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00038277 > ALDRICH > 425141 > - > - > - > - > 16260571 $$$$ 24 27 0 0 0 0 0 0 0 0 1 V2000 -1.7849 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 2.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 2.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 2.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -2.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -2.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -2.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 6 7 1 0 0 0 5 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 8 1 0 0 0 7 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 7 2 0 0 0 4 19 1 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 23 24 1 0 0 0 24 19 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003056 > ALDRICH > 276774 > - > - > - > - > 16260571 $$$$ 18 21 0 0 0 0 0 0 0 0 1 V2000 -1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 6 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 14 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003599 > ALDRICH > B2209 > FLUKA > 12090 > - > - > 16260571 $$$$ 24 27 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 -2.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -2.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -2.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -2.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -2.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 -2.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 6 7 1 0 0 0 2 8 1 0 0 0 4 9 1 0 0 0 7 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 7 2 0 0 0 8 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 8 2 0 0 0 9 20 1 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 23 24 1 0 0 0 24 9 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003060 > ALDRICH > T82007 > - > - > - > - > 16260571 $$$$ 12 14 0 0 0 0 0 0 0 0 1 V2000 -0.4125 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 1 1 0 3 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 4 1 0 1 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 2 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001110 > ALDRICH > 321958 > - > - > - > - > 16260571 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 0.4500 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9333 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7583 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 4 2 0 0 0 0 9 7 1 0 0 0 0 10 9 2 0 0 0 0 5 4 1 0 0 0 0 8 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00274253 > ALDRICH > 449431 > - > - > - > - > 16260571 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -3.2156 -2.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5131 -1.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0248 -1.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 -2.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0248 -0.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6486 -1.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 0.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6486 -0.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8339 0.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1707 -0.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8339 1.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5131 0.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1707 2.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5131 1.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 2 0 0 0 0 6 8 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 13 14 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00010236 > ALDRICH > 246913 > - > - > - > - > 16260571 $$$$ 16 18 0 0 0 0 0 0 0 0 1 V2000 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 1 1 0 2 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 2 2 0 8 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001673 > ALDRICH > P22605 > - > - > - > - > 16260571 $$$$ 42 48 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -1.6486 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 1 7 1 0 0 0 6 8 1 0 0 0 5 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 14 2 0 0 0 14 9 1 0 0 0 8 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 8 2 0 0 0 7 20 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 24 7 1 0 0 0 2 25 1 0 0 0 3 26 1 0 0 0 4 27 1 0 0 0 27 28 1 0 0 0 28 29 2 0 0 0 29 30 1 0 0 0 30 31 2 0 0 0 31 32 1 0 0 0 32 27 2 0 0 0 26 33 2 0 0 0 33 34 1 0 0 0 34 35 2 0 0 0 35 36 1 0 0 0 36 37 2 0 0 0 37 26 1 0 0 0 25 38 1 0 0 0 38 39 2 0 0 0 39 40 1 0 0 0 40 41 2 0 0 0 41 42 1 0 0 0 42 25 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003057 > ALDRICH > 149454 > - > - > - > - > 16260571 $$$$ 14 16 0 0 0 0 0 0 0 0 1 V2000 -1.7968 0.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0253 0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4531 -0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6523 -0.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4237 0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 1.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -0.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6818 -0.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4008 0.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4941 -0.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0253 0.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7443 1.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 1.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7742 -1.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 9 1 0 10 14 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001131 > ALDRICH > M46594 > - > - > - > - > 16260571 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -2.5527 -3.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5527 -1.9027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2305 -1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8750 -1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2305 0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8750 0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5527 1.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0528 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2694 0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0528 2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2694 3.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 0.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 7 2 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 2 0 0 0 0 11 13 1 0 0 0 0 11 14 2 0 0 0 0 12 14 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008534 > ALDRICH > D151009 > - > - > - > - > 16260571 $$$$ 20 23 0 0 0 0 0 0 0 0 1 V2000 0.9325 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9325 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4521 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9717 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9717 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4521 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4913 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0109 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0109 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4913 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5305 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0502 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0502 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5305 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4913 -0.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0109 -0.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0109 0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4913 0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9717 0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9717 -0.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 9 1 0 0 0 0 10 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001252 > ALDRICH > P18004 > - > - > - > - > 16260571 $$$$ 22 26 0 0 0 0 0 0 0 0 1 V2000 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 2 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 12 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 13 1 0 16 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 17 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003710 > ALDRICH > 698423 > - > - > - > - > 16260571 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 6 7 1 0 5 8 1 0 3 9 1 0 2 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008528 > ALDRICH > T19607 > FLUKA > 44624 > - > - > 16260571 $$$$ 17 20 0 0 0 0 0 0 0 0 1 V2000 -1.0913 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3508 -0.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1588 -0.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7072 -0.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4477 0.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6397 0.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6862 -1.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2663 0.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0159 -0.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 -0.8505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3456 -0.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0953 0.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2893 0.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1516 -0.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7072 0.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4569 0.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6509 1.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 7 9 1 0 8 1 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 11 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003595 > ALDRICH > 123595 > FLUKA > 12495 > - > - > 16260571 $$$$ 22 22 0 0 0 0 0 0 0 0 1 V2000 -0.6941 0.7258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6941 -0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0204 -0.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7348 -0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7348 0.7258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0204 1.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4468 1.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2602 1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7704 0.6116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5838 0.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0939 0.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9074 0.2057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4175 -0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2309 -0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2309 -1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5828 -0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8762 -1.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2281 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5215 -1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8734 -0.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1668 -0.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5187 -0.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 2 22 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD05865209 > ALDRICH > 637076 > - > - > - > - > 16260571 $$$$ 17 18 0 0 0 0 0 0 0 0 1 V2000 -2.6622 -3.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9611 -2.8760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 -2.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2599 -3.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 -3.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 -0.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5588 -2.8760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8882 -2.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4306 -3.9491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8882 -0.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5903 0.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5104 -0.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5903 2.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4306 0.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5104 3.9491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4306 2.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 2 0 0 0 0 16 17 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00009503 > ALDRICH > 222151 > - > - > - > - > 16260571 $$$$ 14 16 0 0 0 0 0 0 0 0 1 V2000 -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001240 > SIGMA-ALDRICH > 141062 > ALDRICH > 331481 > FLUKA > 10590 > 16260571 $$$$ 31 33 0 0 0 0 0 0 0 0 1 V2000 5.9750 -5.3792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2542 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -5.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 -5.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -5.3792 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 8.8292 -5.3792 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -6.6042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9417 -6.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6000 -7.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7375 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7417 -7.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 -7.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -7.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 -7.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3833 -7.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5708 -8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 -7.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3292 -7.3042 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 2 2 0 0 0 0 5 3 2 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 1 1 0 0 0 0 9 1 1 0 0 0 0 10 3 1 0 0 0 0 11 2 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 13 1 0 0 0 0 17 12 1 0 0 0 0 18 8 1 0 0 0 0 19 9 1 0 0 0 0 20 18 1 0 0 0 0 21 19 1 0 0 0 0 22 19 1 0 0 0 0 23 18 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 26 23 1 0 0 0 0 27 22 1 0 0 0 0 28 20 1 0 0 0 0 29 21 1 0 0 0 0 30 25 1 0 0 0 0 31 24 1 0 0 0 0 4 5 1 0 0 0 0 7 14 2 0 0 0 0 6 15 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03427151 > ALDRICH > 554936 > - > - > - > - > 16260571 $$$$ 20 24 0 0 0 0 0 0 0 0 1 V2000 -2.5006 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 14 1 0 18 19 1 0 19 20 2 0 20 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003602 > FLUKA > 12780 > - > - > - > - > 16260571 $$$$ 24 27 0 0 0 0 0 0 0 0 1 V2000 -0.5057 -0.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8042 -0.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5026 -1.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0974 -1.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3958 -0.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0943 -0.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9938 -0.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2961 -1.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8961 -1.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1938 -0.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8961 -0.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2961 -0.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7897 -0.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0897 -1.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 -1.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9897 -0.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 -0.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0897 -0.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5877 -0.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8877 -1.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4877 -1.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7877 -0.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4877 -0.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8877 -0.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 7 1 0 0 0 0 10 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 16 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 19 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003062 > ALDRICH > Q205 > - > - > - > - > 16260571 $$$$ 28 31 0 0 0 0 0 0 0 0 1 V2000 -0.4958 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7917 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1375 -0.0542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0583 -0.1667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8292 0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6167 1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0917 -0.8750 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 0.9292 -0.9792 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 0.4792 1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3417 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6250 0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8292 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0917 -1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2083 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9958 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 13 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 8 10 2 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 5 1 0 0 0 0 12 6 1 0 0 0 0 13 14 1 0 0 0 0 14 4 1 0 0 0 0 15 7 1 0 0 0 0 16 8 1 0 0 0 0 17 9 1 0 0 0 0 18 10 1 0 0 0 0 19 11 1 0 0 0 0 20 11 1 0 0 0 0 21 11 1 0 0 0 0 22 12 1 0 0 0 0 23 12 1 0 0 0 0 24 12 1 0 0 0 0 25 27 1 0 0 0 0 26 15 2 0 0 0 0 27 18 2 0 0 0 0 28 17 2 0 0 0 0 7 9 2 0 0 0 0 26 28 1 0 0 0 0 8 6 1 0 0 0 0 25 16 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD01863508 > ALDRICH > 476587 > - > - > - > - > 16260571 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 1.3999 -0.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3999 -1.3624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6999 -1.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.3624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6999 -0.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6999 0.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6999 2.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3999 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3999 0.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9299 -0.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9199 0.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 14 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00048075 > ALDRICH > 474703 > - > - > - > - > 16260571 $$$$ 16 18 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 5 1 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 11 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003983 > ALDRICH > P27402 > - > - > - > - > 16260571 $$$$ 24 28 0 0 0 0 0 0 0 0 1 V2000 -0.9959 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9959 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9959 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9959 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 1.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 1.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7103 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7103 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -1.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7103 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4248 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4248 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7103 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 1 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 8 1 0 5 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 6 1 0 3 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 4 1 0 1 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 2 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00134492 > ALDRICH > 379328 > - > - > - > - > 16260571 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 6 11 1 0 7 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00128082 > ALDRICH > 528137 > - > - > - > - > 16260571 $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 1.2888 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2888 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4368 1.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2888 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7256 0.6633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4368 2.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2888 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0144 1.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7256 3.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4367 -1.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0144 2.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4367 -2.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7256 -0.6633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7256 -3.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0144 -1.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0144 -2.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 2 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 18 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001452 > ALDRICH > 179582 > - > - > - > - > 16260571 $$$$ 18 18 0 0 0 0 0 0 0 0 1 V2000 -0.7157 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7157 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0