17 18 0 0 0 0 0 0 0 0 1 V2000 -2.5006 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2261 -0.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.0298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3597 -1.4409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.4423 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 9 2 0 0 0 9 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 1 2 0 0 0 6 4 1 0 0 0 7 6 1 0 0 0 6 8 2 0 0 0 3 10 1 0 0 0 11 8 1 0 0 0 12 11 1 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 12 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00799468 > ALDRICH > 458163 > - > - > - > - > 16251605 $$$$ 17 18 0 0 0 0 0 0 0 0 1 V2000 -2.4994 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.0291 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.0277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 1.4402 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 7 5 1 0 0 0 8 7 1 0 0 0 7 9 2 0 0 0 8 10 1 0 0 0 8 11 2 0 0 0 10 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 10 1 0 0 0 9 17 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00007625 > ALDRICH > B5224 > - > - > - > - > 16251605 $$$$ 15 12 0 0 0 0 0 0 0 0 1 V2000 -4.8448 -0.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7148 -0.1949 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7848 -0.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3749 -0.1949 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4749 -0.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8049 -0.1949 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8448 0.5849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0349 -0.1949 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7848 0.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9450 -0.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1849 -0.1949 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4749 0.5849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4349 -0.1949 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8049 -0.5849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8049 0.2549 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 1 8 1 0 0 0 0 2 3 2 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 10 2 0 0 0 0 4 11 1 0 0 0 0 5 11 1 0 0 0 0 5 12 2 0 0 0 0 5 13 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00012581 > ALDRICH > 139491 > - > - > - > - > 16251605 $$$$ 18 19 0 0 0 0 0 0 0 0 1 V2000 -3.2139 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2139 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 -0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 1.2354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7874 -0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5019 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5019 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7874 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2139 -0.8243 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2139 -0.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5019 -1.2354 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 7 5 1 0 0 0 8 7 2 0 0 0 9 8 1 0 0 0 10 9 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 10 1 0 0 0 13 16 1 0 0 0 16 17 2 0 0 0 16 18 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 16 17 18 M SBL 1 1 17 M SMT 1 NO2 M SBV 1 17 -4.5804 4.5296 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00024596 > SIGMA > B2625 > - > - > - > - > 16251605 $$$$ 23 24 0 0 0 0 0 0 0 0 1 V2000 -3.7895 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7895 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0750 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3606 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3606 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0750 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6486 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9366 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6486 1.6457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2221 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4924 0.4125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4924 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4924 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3174 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7299 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5549 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9674 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5549 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7299 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7895 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6486 -1.2346 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6486 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3606 -1.6457 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 7 8 2 0 0 0 7 9 1 0 0 0 8 10 1 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 11 13 2 0 0 0 11 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 19 14 1 0 0 0 17 20 1 0 0 0 4 21 1 0 0 0 21 22 2 0 0 0 21 23 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 21 22 23 M SBL 1 1 22 M SMT 1 NO2 M SBV 1 22 -4.8123 3.3458 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009790 > SIGMA > N3509 > - > - > - > - > 16251605 $$$$ 25 27 0 0 0 0 0 0 0 0 1 V2000 0.2875 -0.8375 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.5333 -0.8375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1167 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9375 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -0.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -1.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 -0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7625 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9375 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1750 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9375 1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1750 -0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5833 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5875 1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5875 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1750 2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1750 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 2 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 1 0 0 0 0 9 4 1 0 0 0 0 10 5 2 0 0 0 0 11 5 1 0 0 0 0 12 11 2 0 0 0 0 13 10 1 0 0 0 0 14 12 1 0 0 0 0 15 9 1 0 0 0 0 16 8 1 0 0 0 0 17 8 2 0 0 0 0 18 9 2 0 0 0 0 19 14 1 0 0 0 0 20 16 2 0 0 0 0 21 18 1 0 0 0 0 22 15 2 0 0 0 0 23 17 1 0 0 0 0 24 23 2 0 0 0 0 25 22 1 0 0 0 0 14 13 2 0 0 0 0 25 21 2 0 0 0 0 20 24 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00381345 > ALDRICH > 566799 > - > - > - > - > 16251605 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.7225 -0.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7201 -0.6274 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4346 -1.0399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1490 -0.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8635 -1.0399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1490 0.1949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4346 -0.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4346 0.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1490 1.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8635 0.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8635 -0.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1490 -0.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 3 2 1 0 4 3 1 0 5 4 1 0 4 6 2 0 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00025400 > ALDRICH > 568449 > - > - > - > - > 16251605 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.5061 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8718 -0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8719 -0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2437 2.2210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8718 -1.6466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8594 0.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8719 -1.6466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8595 0.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8594 -2.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8430 -0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8595 -2.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8430 -0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8430 -1.6466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8430 -1.6466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 2 0 0 0 0 8 12 1 0 0 0 0 9 13 2 0 0 0 0 10 14 2 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 13 15 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00007624 > ALDRICH > B9602 > FLUKA > 12755 > - > - > 16251605 $$$$ 21 22 0 0 0 0 0 0 0 0 1 V2000 0.4167 0.4917 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.4208 0.7458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 0.3375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 1.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 -0.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5583 0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5583 1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4167 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5625 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2708 2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4167 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5625 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 3 2 0 0 0 0 8 7 1 0 0 0 0 9 4 1 0 0 0 0 10 4 2 0 0 0 0 11 10 1 0 0 0 0 12 9 2 0 0 0 0 13 12 1 0 0 0 0 14 7 1 0 0 0 0 15 8 1 0 0 0 0 16 8 2 0 0 0 0 17 13 1 0 0 0 0 18 14 1 0 0 0 0 19 16 1 0 0 0 0 20 15 2 0 0 0 0 21 20 1 0 0 0 0 13 11 2 0 0 0 0 21 19 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00159336 > ALDRICH > 566810 > - > - > - > - > 16251605 $$$$ 23 24 0 0 0 0 0 0 0 0 1 V2000 0.6167 0.6583 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.2083 0.6583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 0.6583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 1.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -0.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2667 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6792 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6792 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5042 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5042 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9167 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 3 2 0 0 0 0 8 7 1 0 0 0 0 9 4 2 0 0 0 0 10 4 1 0 0 0 0 11 10 2 0 0 0 0 12 9 1 0 0 0 0 13 11 1 0 0 0 0 14 7 1 0 0 0 0 15 8 2 0 0 0 0 16 8 1 0 0 0 0 17 13 1 0 0 0 0 18 14 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 15 1 0 0 0 0 22 16 2 0 0 0 0 23 21 2 0 0 0 0 13 12 2 0 0 0 0 22 23 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00159338 > ALDRICH > 566837 > - > - > - > - > 16251605 $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 -2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 -0.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 7 5 1 0 0 0 4 8 1 0 0 0 9 7 2 0 0 0 10 9 1 0 0 0 11 10 1 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 16 11 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00136159 > ALDRICH > 695696 > - > - > - > - > 16251605 $$$$ 15 17 0 0 0 0 0 0 0 0 1 V2000 0.4063 0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6752 -0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4851 -0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0261 0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7572 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9473 1.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4186 0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6594 -0.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0166 -0.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9815 1.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7853 1.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0261 0.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4632 -0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3248 -0.8470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3872 -1.2581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 1 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 2 1 0 0 0 7 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 8 1 0 0 0 9 14 2 0 0 0 14 15 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 14 15 M SBL 1 1 16 M SMT 1 NNH2 M SBV 1 16 -4.8268 2.4720 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00016357 > ALDRICH > F1573 > - > - > - > - > 16251605 $$$$ 22 23 0 0 0 0 0 0 0 0 1 V2000 0.7125 1.0875 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 0.6750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 1.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 1.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 1.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8583 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8583 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5708 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8583 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5750 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 3 2 0 0 0 0 8 7 1 0 0 0 0 9 4 1 0 0 0 0 10 4 2 0 0 0 0 11 10 1 0 0 0 0 12 9 2 0 0 0 0 13 12 1 0 0 0 0 14 7 1 0 0 0 0 15 8 2 0 0 0 0 16 8 1 0 0 0 0 17 13 1 0 0 0 0 18 14 1 0 0 0 0 19 18 1 0 0 0 0 20 16 2 0 0 0 0 21 15 1 0 0 0 0 22 20 1 0 0 0 0 13 11 2 0 0 0 0 22 21 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01230699 > ALDRICH > 566829 > - > - > - > - > 16251605 $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 3.2294 -2.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2294 -3.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9438 -3.8063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6583 -3.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6583 -2.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9438 -2.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3828 -3.8131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3782 -4.6438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0902 -5.0548 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0897 -5.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3766 -6.2964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8063 -6.2966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5109 -2.1521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7937 -2.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 1 13 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 13 14 1 0 0 0 0 G 13 1 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 13 14 M SBL 1 1 11 M SDI 1 4 2.8500 -2.1000 2.6400 -2.4600 M SMT 1 OCH3 M SBV 1 11 0.7200 -0.4100 M SDS EXP 1 1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00456389 > ALDRICH > 575577 > - > - > - > - > 16251605 $$$$ 20 21 0 0 0 0 0 0 0 0 1 V2000 -1.4817 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4817 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1962 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9107 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9107 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1962 -1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7697 0.4118 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0553 0.4118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7697 1.2368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7697 -0.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7697 -0.0007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1987 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 1.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9107 0.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1987 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9107 -1.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6227 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6227 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6227 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 2 7 1 0 0 0 7 8 1 0 0 0 7 9 2 0 0 0 7 10 2 0 0 0 11 8 1 0 0 0 12 11 2 0 0 0 13 12 1 0 0 0 12 14 1 0 0 0 13 15 2 0 0 0 13 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 19 15 1 0 0 0 5 20 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01140191 > ALDRICH > 558087 > - > - > - > - > 16251605 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 1.2613 0.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2613 1.2210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5494 -0.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1626 0.3989 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2613 -0.3989 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9733 -0.0122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2613 -1.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9733 0.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 3 4 2 0 4 5 1 0 1 6 1 0 5 7 1 0 5 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD11656047 > ALDRICH > 690201 > - > - > - > - > 16251605 $$$$