25 24 0 0 0 0 0 0 0 0 1 V2000 -8.5737 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 0.2062 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 -1.4289 -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 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 2.8579 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SAL 1 10 16 17 18 19 20 21 22 23 24 25 M SMT 1 CH3(CH2)23CH3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009353 > ALDRICH > 286931 > FLUKA > 76495 > - > - > 16273492 $$$$ 15 14 0 0 0 0 0 0 0 0 1 V2000 -5.0013 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SMT 1 CH3(CH2)13CH3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008990 > ALDRICH > 76510 > - > - > - > - > 16273492 $$$$ 15 14 0 0 0 0 0 0 0 0 1 V2000 -5.0013 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SMT 1 CH3(CH2)13CH3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008990 > ALDRICH > P3406 > - > - > - > - > 16273492 $$$$ 30 29 0 0 0 0 0 0 0 0 1 V2000 2.8764 0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4405 0.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8764 -0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4405 -0.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0880 -0.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0907 0.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2546 0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8187 -0.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5266 0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8187 0.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 -0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5239 -0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1712 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1685 0.1576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7382 -0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5843 0.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6071 -0.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 0.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9397 -0.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2922 0.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3123 -0.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3828 -0.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7469 0.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3828 0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7496 -0.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6015 -0.9197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5785 0.9197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1656 -0.9109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1627 0.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 3 7 1 0 4 10 1 0 2 5 1 0 4 6 1 0 7 18 1 0 8 14 1 0 3 9 1 0 10 13 1 0 1 11 1 0 1 12 1 0 9 13 1 0 12 14 1 0 5 15 1 0 6 16 1 0 11 17 1 0 18 19 1 0 19 22 1 0 17 20 1 0 20 21 1 0 21 22 1 0 15 23 1 0 15 24 1 0 16 25 1 0 16 26 1 0 18 27 1 0 17 28 1 0 13 29 1 0 14 30 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008953 > ALDRICH > 234311 > - > - > - > - > 16273492 $$$$ 40 39 0 0 0 0 0 0 0 0 1 V2000 -13.9322 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2177 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5032 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7888 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0743 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3598 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6454 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9309 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2164 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5019 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7875 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0730 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3585 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6441 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 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 -1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3585 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7875 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5019 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2164 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9309 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6454 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3598 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0743 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7888 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5032 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2177 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9322 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SAL 1 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 M SAL 1 10 31 32 33 34 35 36 37 38 39 40 M SMT 1 CH3(CH2)38CH3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00015267 > ALDRICH > 87087 > - > - > - > - > 16273492 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 3 6 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009342 > ALDRICH > M66005 > FLUKA > 68322 > - > - > 16273492 $$$$ 24 23 0 0 0 0 0 0 0 0 1 V2000 -8.2164 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5019 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7875 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0730 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3585 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6441 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3585 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7875 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5019 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2164 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SAL 1 9 16 17 18 19 20 21 22 23 24 M SMT 1 CH3(CH2)22CH3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009352 > ALDRICH > T8752 > FLUKA > 87090 > - > - > 16273492 $$$$ 30 29 0 0 0 0 0 0 0 0 1 V2000 2.8764 0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4405 0.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8764 -0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4405 -0.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0880 -0.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0907 0.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2546 0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8187 -0.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5266 0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8187 0.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 -0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5239 -0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1712 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1685 0.1576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7382 -0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5843 0.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6071 -0.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 0.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9397 -0.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2922 0.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3123 -0.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3828 -0.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7469 0.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3828 0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7496 -0.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6015 -0.9197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5785 0.9197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1656 -0.9109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1627 0.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 3 7 1 0 4 10 1 0 2 5 1 0 4 6 1 0 7 18 1 0 8 14 1 0 3 9 1 0 10 13 1 0 1 11 1 0 1 12 1 0 9 13 1 0 12 14 1 0 5 15 1 0 6 16 1 0 11 17 1 0 18 19 1 0 19 22 1 0 17 20 1 0 20 21 1 0 21 22 1 0 15 23 1 0 15 24 1 0 16 25 1 0 16 26 1 0 18 27 1 0 17 28 1 0 13 29 1 0 14 30 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008953 > ALDRICH > 85630 > - > - > - > - > 16273492 $$$$ 44 43 0 0 0 0 0 0 0 0 1 V2000 -15.3078 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5958 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8838 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1718 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4598 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7478 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0359 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3239 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6119 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8999 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1879 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4759 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7639 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0519 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3399 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6279 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9159 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2040 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -0.2055 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 0.3560 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9159 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6279 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3399 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0519 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7639 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4759 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1879 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8999 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6119 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3239 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0359 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7478 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4598 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1718 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8838 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5958 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3078 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SAL 1 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 M SAL 1 14 31 32 33 34 35 36 37 38 39 40 41 42 43 44 M SMT 1 CH3(CH2)42CH3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00015268 > ALDRICH > 358746 > FLUKA > 88143 > - > - > 16273492 $$$$ 29 28 0 0 0 0 0 0 0 0 1 V2000 -10.0026 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SAL 1 14 16 17 18 19 20 21 22 23 24 25 26 27 28 29 M SMT 1 CH3(CH2)27CH3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009356 > ALDRICH > 284246 > - > - > - > - > 16273492 $$$$ 56 55 0 0 0 0 0 0 0 0 1 V2000 7.9167 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -3.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2042 2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0583 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4917 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9083 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1958 2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9125 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6292 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6333 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9208 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2083 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4958 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7833 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9042 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6167 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3292 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3250 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6042 -2.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8875 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1750 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4583 -3.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7458 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -2.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4833 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7708 2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6292 2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 52 1 0 0 0 0 4 1 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 4 1 0 0 0 0 18 19 1 0 0 0 0 19 53 1 0 0 0 0 20 18 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 24 23 1 0 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 28 27 1 0 0 0 0 29 28 1 0 0 0 0 30 29 1 0 0 0 0 31 30 1 0 0 0 0 32 31 1 0 0 0 0 33 32 1 0 0 0 0 34 33 1 0 0 0 0 35 34 1 0 0 0 0 36 35 1 0 0 0 0 37 36 1 0 0 0 0 38 37 1 0 0 0 0 39 38 1 0 0 0 0 40 39 1 0 0 0 0 41 40 1 0 0 0 0 42 41 1 0 0 0 0 43 42 1 0 0 0 0 44 43 1 0 0 0 0 45 44 1 0 0 0 0 46 45 1 0 0 0 0 47 46 1 0 0 0 0 48 47 1 0 0 0 0 49 48 1 0 0 0 0 50 49 1 0 0 0 0 51 50 1 0 0 0 0 52 51 1 0 0 0 0 53 54 1 0 0 0 0 54 5 1 0 0 0 0 55 1 1 0 0 0 0 56 2 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01863073 > FLUKA > 52908 > - > - > - > - > 16273492 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 1.4277 -0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7107 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7107 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0037 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7157 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009406 > ALDRICH > 68312 > - > - > - > - > 16273492 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -0.3498 0.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3597 0.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 0.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7738 0.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3597 -0.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0618 0.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6507 -0.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7738 -0.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4729 0.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 2 5 1 0 0 0 6 7 1 0 0 0 6 8 1 0 0 0 6 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00039928 > ALDRICH > 92470 > - > - > - > - > 16273492 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 0.0000 -1.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 -0.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 -0.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1623 -2.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 2.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1623 0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1623 -2.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009404 > ALDRICH > 110671 > FLUKA > 41060 > - > - > 16273492 $$$$ 14 13 0 0 0 0 0 0 0 0 1 V2000 -4.6441 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14 M SMT 1 CH3(CH2)12CH3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008986 > ALDRICH > 87140 > - > - > - > - > 16273492 $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 -3.5724 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 11 1 2 3 4 5 6 7 8 9 10 11 M SMT 1 CH3(CH2)9CH3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008959 > ALDRICH > U407 > FLUKA > 94002 > - > - > 16273492 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 1.4277 -0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7107 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7107 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0037 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7157 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009406 > ALDRICH > M65807 > - > - > - > - > 16273492 $$$$ 17 16 0 0 0 0 0 0 0 0 1 V2000 -5.7158 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SAL 1 2 16 17 M SMT 1 CH3(CH2)15CH3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009002 > ALDRICH > 128503 > FLUKA > 51580 > - > - > 16273492 $$$$ 16 15 0 0 0 0 0 0 0 0 1 V2000 -5.3585 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6441 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3585 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SAL 1 1 16 M SMT 1 CH3(CH2)14CH3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008998 > FLUKA > 52210 > - > - > - > - > 16273492 $$$$ 36 35 0 0 0 0 0 0 0 0 1 V2000 -12.5032 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7888 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0743 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3598 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6454 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9309 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2164 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5019 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7875 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0730 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3585 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6441 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 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 -1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3585 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7875 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5019 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2164 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9309 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6454 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3598 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0743 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7888 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5032 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SAL 1 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 M SAL 1 6 31 32 33 34 35 36 M SMT 1 CH3(CH2)34CH3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009413 > ALDRICH > H12552 > FLUKA > 52920 > - > - > 16273492 $$$$ 14 13 0 0 0 0 0 0 0 0 1 V2000 -4.6441 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14 M SMT 1 CH3(CH2)12CH3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008986 > ALDRICH > 172456 > - > - > - > - > 16273492 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 -4.2868 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13 M SMT 1 CH3(CH2)11CH3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008979 > ALDRICH > T57401 > FLUKA > 91492 > - > - > 16273492 $$$$ 39 38 0 0 0 0 0 0 0 0 1 V2000 9.3292 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3250 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6167 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9042 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7833 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7875 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 -1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 -1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 -1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7625 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1875 -1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9000 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6125 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0417 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7500 -1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 35 1 0 0 0 0 4 1 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 4 1 0 0 0 0 17 18 1 0 0 0 0 18 36 1 0 0 0 0 19 17 1 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 24 23 1 0 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 28 27 1 0 0 0 0 29 28 1 0 0 0 0 30 29 1 0 0 0 0 31 30 1 0 0 0 0 32 31 1 0 0 0 0 33 32 1 0 0 0 0 34 33 1 0 0 0 0 35 34 1 0 0 0 0 36 37 1 0 0 0 0 37 5 1 0 0 0 0 38 1 1 0 0 0 0 39 2 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00210073 > FLUKA > 12341 > - > - > - > - > 16273492 $$$$ 23 22 0 0 0 0 0 0 0 0 1 V2000 -7.8592 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SAL 1 8 16 17 18 19 20 21 22 23 M SMT 1 CH3(CH2)21CH3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009350 > ALDRICH > 263850 > FLUKA > 91449 > - > - > 16273492 $$$$ 30 29 0 0 0 0 0 0 0 0 1 V2000 -10.3598 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6454 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9309 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2164 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5019 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7875 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0730 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3585 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6441 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 -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 -1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3585 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7875 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5019 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2164 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9309 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6454 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3598 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SAL 1 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 M SMT 1 CH3(CH2)28CH3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009410 > ALDRICH > 263842 > FLUKA > 90272 > - > - > 16273492 $$$$ 34 33 0 0 0 0 0 0 0 0 1 V2000 -11.7888 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0743 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3598 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6454 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9309 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2164 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5019 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7875 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0730 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3585 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6441 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 -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 -1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3585 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7875 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5019 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2164 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9309 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6454 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3598 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0743 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7888 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SAL 1 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 M SAL 1 4 31 32 33 34 M SMT 1 CH3(CH2)32CH3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009412 > ALDRICH > 287261 > FLUKA > 88153 > - > - > 16273492 $$$$ 38 37 0 0 0 0 0 0 0 0 1 V2000 -13.1718 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4598 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7478 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0359 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3239 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6119 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8999 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1879 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4759 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7639 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0519 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3399 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6279 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9159 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2040 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 0.2055 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 0.3560 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9159 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6279 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3399 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0519 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7639 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4759 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1879 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8999 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6119 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3239 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0359 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7478 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4598 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1718 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 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SAL 1 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 M SAL 1 8 31 32 33 34 35 36 37 38 M SMT 1 CH3(CH2)36CH3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00042899 > ALDRICH > 74893 > SIGMA > O1751 > - > - > 16273492 $$$$ 46 45 0 0 0 0 0 0 0 0 1 V2000 9.1417 6.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7417 3.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7792 6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4042 6.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7667 5.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1542 5.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2000 5.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5292 5.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9042 5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2792 5.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6667 5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0417 5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4292 5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8000 5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8875 6.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2667 6.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5250 6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6500 6.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1417 6.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 5.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 4.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3500 3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2167 4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5792 4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9750 4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3417 4.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7167 4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1000 4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4542 4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8417 4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2167 4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6000 4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2042 3.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5792 3.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8292 3.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9792 3.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8292 4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6917 3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9917 3.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3917 3.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0375 6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7917 6.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5292 6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 3.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 42 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 44 1 0 0 0 0 7 9 1 0 0 0 0 8 6 1 0 0 0 0 9 16 1 0 0 0 0 10 8 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 17 18 1 0 0 0 0 18 20 1 0 0 0 0 19 17 1 0 0 0 0 20 43 1 0 0 0 0 21 19 1 0 0 0 0 22 7 1 0 0 0 0 23 22 1 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 23 1 0 0 0 0 35 37 1 0 0 0 0 36 35 1 0 0 0 0 37 39 1 0 0 0 0 38 36 1 0 0 0 0 39 25 1 0 0 0 0 40 24 1 0 0 0 0 41 40 1 0 0 0 0 42 41 1 0 0 0 0 43 5 1 0 0 0 0 44 21 1 0 0 0 0 45 1 1 0 0 0 0 46 2 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00042946 > FLUKA > 52915 > - > - > - > - > 16273492 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 1.0717 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 2 5 1 0 0 0 3 6 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008925 > ALDRICH > D151602 > FLUKA > 39770 > - > - > 16273492 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1624 -0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 3.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1624 -0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009337 > ALDRICH > D173207 > - > - > - > - > 16273492 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -0.6535 -1.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9522 -0.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6533 -0.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8159 -2.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9522 2.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8159 0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9522 -1.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8159 -0.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009485 > ALDRICH > 111457 > FLUKA > 40490 > - > - > 16273492 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 -2.7333 -1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 -1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3125 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2250 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 8 1 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 4 1 0 0 0 0 8 5 1 0 0 0 0 9 2 1 0 0 0 0 10 1 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00146635 > ALDRICH > 30570 > - > - > - > - > 16273492 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 0.6503 -0.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6503 -1.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9432 -1.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 1.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9432 -0.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7981 -0.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7981 -1.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9432 1.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00039929 > ALDRICH > 110574 > FLUKA > 40500 > - > - > 16273492 $$$$ 16 15 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2539 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2539 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2539 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0789 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 3 2 1 0 4 3 1 0 5 4 1 0 5 6 1 0 1 7 1 0 6 8 1 0 6 9 1 0 6 10 1 0 7 11 1 0 7 12 1 0 7 13 1 0 2 14 1 0 4 15 1 0 4 16 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008856 > ALDRICH > 128511 > - > - > - > - > 16273492 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1437 -0.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9386 -0.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009321 > ALDRICH > D151408 > - > - > - > - > 16273492 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 2.8517 -0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1347 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1347 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8517 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1397 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7157 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0037 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7083 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4203 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 10 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 4 5 6 7 8 9 10 M SBL 1 1 3 M SMT 1 CH3(CH2)5CH^2 M SBV 1 3 0.7145 0.4125 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00027321 > ALDRICH > 68070 > - > - > - > - > 16273492 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 -0.8981 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1811 0.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1811 1.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6150 0.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -1.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 -1.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 5 6 7 8 9 10 M SBL 1 1 4 M SMT 1 CH2(CH2)4CH3 M SBV 1 4 -3.7078 2.1964 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00027308 > ALDRICH > 68080 > - > - > - > - > 16273492 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 -1.4178 -0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7008 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7008 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0136 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1347 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7256 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4351 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8492 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1422 -0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8492 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 1 5 1 0 0 0 4 6 1 0 0 0 6 7 1 0 0 0 5 8 1 0 0 0 7 9 1 0 0 0 9 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00027289 > ALDRICH > 68090 > - > - > - > - > 16273492 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 1.4277 1.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7107 1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7107 2.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -2.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7157 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7157 -0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0037 0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0037 1.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 9 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 4 5 6 7 8 9 M SBL 1 1 3 M SMT 1 CH3(CH2)4CH^2 M SBV 1 3 0.7145 0.4125 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00027307 > ALDRICH > 68170 > - > - > - > - > 16273492 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 0.6503 0.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6503 -0.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9432 -0.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 3.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9432 0.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6503 -3.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7981 0.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7981 -0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 5 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00039927 > ALDRICH > 118419 > - > - > - > - > 16273492 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -2.1184 0.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8195 0.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4794 0.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7785 0.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4794 -1.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4794 1.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8195 2.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8195 -0.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008849 > ALDRICH > 540846 > - > - > - > - > 16273492 $$$$ 27 26 0 0 0 0 0 0 0 0 1 V2000 -9.2881 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SAL 1 12 16 17 18 19 20 21 22 23 24 25 26 27 M SMT 1 CH3(CH2)25CH3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009862 > ALDRICH > 51560 > - > - > - > - > 16273492 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 0.6503 0.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6503 -0.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9432 -0.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9432 0.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7981 0.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9432 -3.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7981 -0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9432 3.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008951 > ALDRICH > 110582 > FLUKA > 40510 > - > - > 16273492 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.6535 -1.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9522 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6534 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8159 -2.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9522 2.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 -1.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8160 -0.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009487 > ALDRICH > M49704 > FLUKA > 67360 > - > - > 16273492 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.6503 -0.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 0.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9352 0.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6503 -3.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5053 -1.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5053 -0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9352 3.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009322 > ALDRICH > 118451 > - > - > - > - > 16273492 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -1.2988 -1.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5978 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 -1.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4693 -2.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5978 2.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5977 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4693 -2.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009518 > ALDRICH > M47949 > FLUKA > 67120 > - > - > 16273492 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 2 6 1 0 3 7 1 0 4 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008924 > ALDRICH > 257508 > FLUKA > 92613 > - > - > 16273492 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -1.2988 1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5978 1.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2988 -1.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4693 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5977 1.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4693 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00027244 > ALDRICH > M47957 > FLUKA > 67130 > - > - > 16273492 $$$$ 33 32 0 0 0 0 0 0 0 0 1 V2000 -11.4315 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7171 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0026 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 0.2062 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 -1.4289 -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 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 2.8579 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SAL 1 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 M SAL 1 3 31 32 33 M SMT 1 CH3(CH2)31CH3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010187 > ALDRICH > 282634 > FLUKA > 93430 > - > - > 16273492 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1437 -0.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9386 -0.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009321 > ALDRICH > 39740 > - > - > - > - > 16273492 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 0.0000 -1.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1624 -2.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 2.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1624 -2.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 2.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008945 > ALDRICH > D173401 > - > - > - > - > 16273492 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 0.6503 -0.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6504 0.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5053 0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 -3.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5053 -1.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5054 -0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6504 3.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00039846 > ALDRICH > 132187 > FLUKA > 92340 > - > - > 16273492 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.6504 0.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 1.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9433 1.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6504 -1.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9432 0.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7982 0.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7981 1.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 5 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009408 > ALDRICH > M49801 > FLUKA > 67370 > - > - > 16273492 $$$$ 37 36 0 0 0 0 0 0 0 0 1 V2000 -12.8158 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1038 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3918 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6799 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9679 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2559 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5439 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8319 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1199 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4079 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6959 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9839 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2719 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5600 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1360 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 -0.7120 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5600 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2719 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9839 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6959 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4079 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1199 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8319 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5439 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2559 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9679 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6799 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3918 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1038 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8158 -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 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SAL 1 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 M SAL 1 7 31 32 33 34 35 36 37 M SMT 1 CH3(CH2)35CH3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00042945 > ALDRICH > 51850 > - > - > - > - > 16273492 $$$$ 60 59 0 0 0 0 0 0 0 0 1 V2000 -21.0037 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.2917 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.5797 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.8677 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.1558 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4438 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7318 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0198 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3078 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5958 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8838 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1718 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4598 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7478 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0359 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3239 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6119 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8999 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1879 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4759 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7639 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0519 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3399 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6279 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9159 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2040 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -0.2055 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 0.3560 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9159 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6279 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3399 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0519 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7639 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4759 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1879 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8999 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6119 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3239 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0359 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7478 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4598 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1718 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8838 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5958 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3078 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0198 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7318 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4438 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1558 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8677 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5797 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2917 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0037 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 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SAL 1 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 M SAL 1 15 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 M SAL 1 15 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 M SMT 1 CH3(CH2)58CH3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00042948 > ALDRICH > 443832 > FLUKA > 52180 > - > - > 16273492 $$$$ 26 25 0 0 0 0 0 0 0 0 1 V2000 -8.9309 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2164 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5019 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7875 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0730 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3585 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6441 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3585 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7875 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5019 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2164 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9309 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SAL 1 11 16 17 18 19 20 21 22 23 24 25 26 M SMT 1 CH3(CH2)24CH3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009354 > ALDRICH > 241687 > FLUKA > 52185 > - > - > 16273492 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 -1.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2987 -1.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5977 -0.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5978 -0.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4692 -2.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4692 -2.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009409 > ALDRICH > 111023 > FLUKA > 67140 > - > - > 16273492 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -2.1434 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 6 8 1 0 0 0 5 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00048819 > ALDRICH > 422630 > - > - > - > - > 16273492 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 2.4920 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 8 1 2 3 4 5 6 7 8 M SMT 1 CH3(CH2)6CH3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009556 > ALDRICH > 657042 > - > - > - > - > 16273492 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.6173 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 3 2 1 0 4 3 1 0 2 5 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD09265077 > ALDRICH > 674524 > - > - > - > - > 16273492 $$$$ 12 11 0 0 0 0 0 0 0 0 1 V2000 -0.2068 -0.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5077 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2222 -0.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5077 0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9212 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3323 -0.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6332 0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5102 0.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2222 -0.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6332 -0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5102 -0.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8111 0.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 1 0 0 0 1 5 1 0 0 0 5 6 1 0 0 0 5 7 1 0 0 0 5 8 1 0 0 0 3 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 5 6 7 8 M SBL 1 1 4 M SMT 1 ^t-Bu M SBV 1 4 -6.6900 3.8035 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 9 10 11 12 M SBL 2 1 8 M SMT 2 t-Bu M SBV 2 8 -5.9756 3.3910 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00026334 > FLUKA > 06753 > - > - > - > - > 16273492 $$$$ 20 19 0 0 0 0 0 0 0 0 1 V2000 -6.7875 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0730 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3585 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6441 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3585 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7875 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SAL 1 5 16 17 18 19 20 M SMT 1 CH3(CH2)18CH3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009344 > ALDRICH > 219274 > FLUKA > 44820 > - > - > 16273492 $$$$ 41 40 0 0 0 0 0 0 0 0 1 V2000 13.2542 2.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8792 4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6292 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2542 3.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 2.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 3.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 2.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 3.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 2.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 3.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0042 2.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6292 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6292 4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0042 3.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2542 2.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8792 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8792 4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2542 3.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5042 2.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1292 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1292 4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5042 3.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7542 2.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3792 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3792 4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7542 3.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0042 2.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6292 4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0042 3.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8792 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5125 3.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 12 7 1 0 0 0 0 13 14 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 16 11 1 0 0 0 0 17 18 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 20 15 1 0 0 0 0 21 22 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 25 26 1 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 29 30 1 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 32 27 1 0 0 0 0 33 3 1 0 0 0 0 34 37 1 0 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 37 38 1 0 0 0 0 38 5 1 0 0 0 0 39 34 1 0 0 0 0 40 1 1 0 0 0 0 41 2 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00015551 > FLUKA > 51540 > - > - > - > - > 16273492 $$$$ 18 17 0 0 0 0 0 0 0 0 1 V2000 -6.0730 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3585 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6441 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3585 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SAL 1 3 16 17 18 M SMT 1 CH3(CH2)16CH3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009007 > ALDRICH > O652 > FLUKA > 74710 > - > - > 16273492 $$$$ 28 27 0 0 0 0 0 0 0 0 1 V2000 -9.6454 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9309 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2164 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5019 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7875 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0730 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3585 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6441 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3585 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7875 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5019 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2164 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9309 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6454 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SAL 1 13 16 17 18 19 20 21 22 23 24 25 26 27 28 M SMT 1 CH3(CH2)26CH3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009355 > ALDRICH > O504 > FLUKA > 74690 > - > - > 16273492 $$$$ 50 49 0 0 0 0 0 0 0 0 1 V2000 -17.4438 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7318 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0198 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3078 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5958 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8838 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1718 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4598 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7478 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0359 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3239 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6119 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8999 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1879 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4759 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7639 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0519 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3399 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6279 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9159 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2040 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 0.2055 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 0.3560 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9159 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6279 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3399 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0519 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7639 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4759 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1879 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8999 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6119 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3239 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0359 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7478 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4598 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1718 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8838 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5958 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3078 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0198 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7318 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4438 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SAL 1 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 M SAL 1 15 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 M SAL 1 5 46 47 48 49 50 M SMT 1 CH3(CH2)48CH3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00042907 > ALDRICH > 76491 > SIGMA > P0559 > - > - > 16273492 $$$$ 21 20 0 0 0 0 0 0 0 0 1 V2000 -7.1447 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SAL 1 6 16 17 18 19 20 21 M SMT 1 CH3(CH2)19CH3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009346 > ALDRICH > 286052 > FLUKA > 51525 > - > - > 16273492 $$$$ 12 11 0 0 0 0 0 0 0 0 1 V2000 -3.9296 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12 M SMT 1 CH3(CH2)10CH3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008969 > SIGMA-ALDRICH > 44030 > FLUKA > 44020 > - > - > 16273492 $$$$ 22 21 0 0 0 0 0 0 0 0 1 V2000 -7.5019 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7875 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0730 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3585 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6441 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3585 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7875 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5019 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SAL 1 7 16 17 18 19 20 21 22 M SMT 1 CH3(CH2)20CH3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009348 > ALDRICH > 134457 > FLUKA > 43940 > - > - > 16273492 $$$$ 19 18 0 0 0 0 0 0 0 0 1 V2000 -6.4302 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SAL 1 4 16 17 18 19 M SMT 1 CH3(CH2)17CH3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009012 > ALDRICH > N28906 > FLUKA > 74160 > - > - > 16273492 $$$$ 32 31 0 0 0 0 0 0 0 0 1 V2000 -11.0743 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3598 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6454 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9309 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2164 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5019 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7875 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0730 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3585 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6441 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 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 -1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3585 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7875 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5019 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2164 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9309 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6454 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3598 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0743 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SAL 1 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 M SAL 1 2 31 32 M SMT 1 CH3(CH2)30CH3 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009411 > ALDRICH > D223107 > FLUKA > 44260 > - > - > 16273492 $$$$