13 13 0 0 0 0 0 0 0 0 1 V2000 3.2708 -1.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8583 -1.1250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7879 -0.3353 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2121 -0.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8553 -1.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4311 -0.9725 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4578 0.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9958 -1.1208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8406 -0.2701 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2403 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8999 -2.1339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8252 -1.7104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 3 1 0 0 0 0 4 5 2 0 0 0 0 3 8 1 0 0 0 0 1 2 1 0 0 0 0 6 9 1 0 0 0 0 9 8 1 0 0 0 0 3 4 1 0 0 0 0 8 10 1 1 0 0 0 9 11 1 1 0 0 0 5 6 1 0 0 0 0 11 12 1 0 0 0 0 6 7 1 0 0 0 0 11 13 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD07783734 > F > 94927 > - > - > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.6961 -1.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6961 1.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0058 -1.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6876 -0.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0143 0.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 2.2404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0058 1.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7048 -0.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7077 -0.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 -1.4383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 1.0515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0143 -2.2404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 3 1 2 0 1 4 1 0 4 5 2 0 2 6 2 0 5 7 1 0 3 8 1 0 5 9 1 0 1 10 1 0 2 11 1 0 3 12 1 0 8 9 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00004338 > A > 850217 > F > 37860 > - > - $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 -3.9042 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 -0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9417 1.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 -1.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2333 -0.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2083 0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 -0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4583 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 7 1 0 0 0 0 11 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00042721 > F > 75940 > - > - > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.3509 1.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3509 0.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3509 1.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3509 -0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3509 2.2504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0528 1.0129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0528 -0.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3509 -1.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0528 -1.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3509 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3883 -2.2504 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 1 3 1 0 2 4 1 0 1 5 2 0 1 6 1 0 2 7 2 0 4 8 2 0 7 9 1 0 8 10 1 0 9 10 2 0 11 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00004343 > A > F13304 > F > 47350 > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.0714 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0714 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3581 -1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3523 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3523 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3581 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3581 1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3581 -2.2676 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0714 1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0714 1.0299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 2.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 3 8 1 0 7 9 1 0 7 10 1 0 10 11 1 0 10 12 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00042724 > F > 24990 > - > - > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 5.1815 -4.9810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1815 -5.8063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8834 -6.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8834 -7.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1815 -7.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4796 -4.5656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4796 -6.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4796 -7.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8834 -4.6086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1815 -8.2844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5958 -7.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3083 -7.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 5 8 1 0 0 0 0 1 6 2 0 0 0 0 2 7 1 0 0 0 0 7 8 2 0 0 0 0 1 9 1 0 0 0 0 5 10 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 1 2 1 0 0 0 0 11 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00002551 > A > H36001 > F > 94770 > - > - $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 1.6100 -0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8956 -0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1811 -0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8956 0.6692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1811 -1.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 0.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 0.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 2 0 0 0 3 5 1 0 0 0 3 11 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 6 7 8 9 10 11 M SBL 1 1 5 M SMT 1 CH3(CH2)4CH^2 M SBV 1 5 -5.3848 3.7508 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00014410 > F > 56060 > - > - > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.4266 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4266 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7133 -1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0029 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0029 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7133 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7133 1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4266 1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7104 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4266 -0.2049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7104 1.0328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 5 10 1 0 10 11 1 0 10 12 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00002467 > 1 > 402915 > F > 80011 > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -2.7054 -0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7054 -1.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9921 -1.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2817 -1.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2817 -0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9921 -0.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9921 0.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7054 1.0091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2788 1.0091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5946 -1.8424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3067 -2.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 4 10 1 0 0 0 0 1 2 2 0 0 0 0 10 11 1 0 0 0 0 G 10 4 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 10 11 M SBL 1 1 9 M SMT 1 OCH3 M SBV 1 9 -0.6900 0.3800 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00002499 > A > 117714 > F > 64800 > - > - $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 -0.8631 -1.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4376 -0.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 -0.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7304 -1.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4488 -1.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0233 -0.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7417 -0.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3162 -1.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7417 1.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5966 -1.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5966 -0.3532 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00004430 > A > 257583 > F > 17865 > - > - $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 1.1940 2.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4929 1.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 1.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4929 -1.6658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3564 2.3356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -1.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4364 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4364 -2.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3564 1.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3564 -1.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 2 0 0 0 0 9 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00004313 > A > P16621 > F > 78490 > R > 60254 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 4.4588 -6.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4588 -7.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1721 -7.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8825 -7.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8825 -6.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1721 -6.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1721 -5.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4588 -5.0493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8825 -5.0493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5958 -6.2841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3083 -6.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 5 10 1 0 0 0 0 1 2 2 0 0 0 0 10 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00002431 > A > 169978 > F > 64790 > - > - $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 7.5956 -3.3104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0760 -3.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5582 -3.3094 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0760 -2.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5582 -3.9052 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.4531 -3.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9709 -3.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4888 -3.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0066 -3.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5244 -3.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0422 -3.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 11 1 0 0 0 0 3 5 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 G 11 3 CH3(CH2)4CH^2 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 6 7 8 9 10 11 M SBL 1 1 4 M SMT 1 CH3(CH2)4CH^2 M SBV 1 4 0.5100 -0.3000 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00004219 > A > 280348 > F > 17860 > - > - $$$$ 16 15 0 0 0 0 0 0 0 0 1 V2000 0.6503 -0.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6503 0.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9433 0.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 -4.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9432 -0.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6503 4.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2360 -0.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5214 -5.2718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2285 -5.2718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 0.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5053 5.2718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 5.2718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2360 -3.2802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0910 0.7107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 3.2963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0910 -0.6946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 2 0 0 0 0 6 12 1 0 0 0 0 7 13 2 0 0 0 0 7 14 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00002722 > F > 19035 > - > - > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.0700 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 -1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 -2.2676 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0671 0.2076 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3567 1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3567 2.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 1.0299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 3 8 1 0 5 9 1 0 7 10 1 0 10 11 2 0 10 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00004318 > A > 259233 > F > 36213 > - > - $$$$ 15 15 0 0 0 0 0 0 0 0 1 V2000 5.2336 -6.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2336 -7.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9469 -7.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6656 -7.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6656 -6.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9469 -5.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9469 -4.9617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2294 -4.5492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6602 -4.5492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3860 -7.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0994 -7.0340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3818 -8.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5131 -7.4520 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7881 -7.0423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5252 -8.2798 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 4 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 2 13 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 G 13 2 NO2 M CHG 2 13 1 15 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 13 14 15 M SBL 1 1 11 M SDI 1 4 4.6400 -7.1300 4.8500 -7.4800 M SMT 1 NO2 M SBV 1 11 0.7200 0.4300 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00007254 > A > N18005 > F > 73450 > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 5.7542 -6.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -7.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4675 -7.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1779 -7.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1779 -6.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4675 -6.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4675 -5.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -5.0493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1808 -5.0493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8913 -6.2841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0395 -7.9338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3208 -7.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 5 10 1 0 0 0 0 2 11 1 0 0 0 0 1 2 2 0 0 0 0 11 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00002459 > A > 146188 > F > 55547 > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 4.4588 -6.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4588 -7.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1721 -7.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8825 -7.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8825 -6.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1721 -6.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1721 -5.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4588 -5.0493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8825 -5.0493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5958 -6.2841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -7.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3042 -7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 5 10 1 0 0 0 0 1 2 2 0 0 0 0 4 11 1 0 0 0 0 2 3 1 0 0 0 0 11 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00002445 > A > 196495 > F > 55546 > - > - $$$$ 15 15 0 0 0 0 0 0 0 0 1 V2000 4.5484 -6.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5484 -7.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2617 -7.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9721 -7.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9721 -6.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2617 -5.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2617 -4.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6854 -5.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5484 -4.5754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9177 -4.4035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4016 -6.2227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7284 -5.0136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2617 -8.2854 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9738 -8.6965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5496 -8.6965 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 5 8 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 2 0 0 0 0 3 13 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 G 13 3 NO2 M CHG 2 13 1 15 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 13 14 15 M SBL 1 1 11 M SDI 1 4 5.0500 -8.0000 5.4600 -8.0000 M SMT 1 NO2 M SBV 1 11 0.0000 0.8300 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00007252 > A > 274755 > F > 73770 > - > - $$$$ 15 15 0 0 0 0 0 0 0 0 1 V2000 4.5359 -5.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5359 -6.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2492 -7.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9596 -6.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9596 -5.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2492 -5.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6729 -5.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3891 -5.9361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6729 -4.6984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6758 -7.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3891 -6.7611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6758 -7.9989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2492 -7.9989 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9613 -8.4100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5371 -8.4100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 4 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 3 13 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 G 13 3 NO2 M CHG 2 13 1 15 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 13 14 15 M SBL 1 1 11 M SDI 1 4 5.0400 -7.7200 5.4500 -7.7200 M SMT 1 NO2 M SBV 1 11 0.0000 0.8200 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00007138 > A > 137820 > F > 73760 > - > - $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 3.8167 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -1.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 -0.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 -1.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 5 1 0 0 0 0 8 10 1 0 0 0 0 9 7 1 0 0 0 0 10 11 1 0 0 0 0 11 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00792446 > F > 55999 > - > - > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.0215 -0.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7234 0.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6804 0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7234 0.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4253 1.3393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6804 0.9038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4253 -0.1907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0215 1.5112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4253 -0.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0215 -1.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7234 -1.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4253 -1.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 6 2 4 1 1 4 5 2 0 3 6 2 0 3 7 1 0 4 8 1 0 2 9 1 0 1 10 1 0 10 11 1 0 9 12 1 0 11 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00001464 > F > 28975 > - > - > - > - $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 -1.0685 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0685 -0.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 -0.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 -1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0685 2.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3581 2.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0685 -2.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3581 -2.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0685 0.8265 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 3 8 1 0 7 9 2 0 7 10 1 0 8 11 2 0 8 12 1 0 5 13 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00002403 > F > 18385 > - > - > - > - $$$$ 15 14 0 0 0 0 0 0 0 0 1 V2000 7.1833 -6.6583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8958 -6.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -6.6583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -5.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6167 -5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -3.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0458 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -7.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -4.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -8.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 4 2 0 0 0 0 8 6 1 0 0 0 0 9 6 2 0 0 0 0 10 4 1 0 0 0 0 11 14 1 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 8 2 0 0 0 0 15 11 1 0 0 0 0 13 11 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00149283 > A > 168327 > F > 55530 > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 0.3568 1.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3451 -0.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3539 0.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3653 -0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 1.8163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0385 0.6101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3767 -1.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0528 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0558 -1.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0558 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0356 -1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3337 -1.8163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 1 3 1 0 2 4 2 0 1 5 2 0 1 6 1 0 4 7 1 0 3 8 1 0 7 9 1 0 2 10 1 0 10 11 2 0 11 12 1 0 7 12 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00042723 > F > 55520 > - > - > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.7117 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7117 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 -1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7117 1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7149 1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4253 0.2076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4253 -1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 5 10 1 0 2 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00002461 > A > 146161 > F > 61110 > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.0700 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 -1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3567 1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0671 0.2076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 5 10 1 0 4 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00002448 > A > 167037 > F > 61100 > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 5.2626 -7.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2626 -6.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9759 -5.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6864 -6.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6864 -7.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9759 -7.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9759 -4.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2626 -4.5707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6893 -4.5707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9850 -8.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5465 -9.0867 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 3 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 6 10 1 0 0 0 0 1 2 2 0 0 0 0 10 11 3 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00002528 > A > C89803 > F > 28370 > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 4.7361 -7.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7361 -6.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4494 -6.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1598 -6.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1598 -7.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4494 -7.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4494 -5.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7361 -4.9650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1598 -4.9650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8723 -7.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5852 -8.2654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 3 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 5 10 1 0 0 0 0 1 2 2 0 0 0 0 10 11 3 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00002486 > A > 157163 > F > 28365 > - > - $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 4.8096 -3.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3172 -3.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8247 -3.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3323 -3.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8398 -3.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3474 -3.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8549 -3.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3474 -2.6799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3021 -3.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7945 -3.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 6 8 2 0 0 0 0 9 1 1 0 0 0 0 10 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00004429 > A > O3907 > F > 21650 > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.4277 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 1.4423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 0.2091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 6 1 0 0 0 7 10 2 0 0 0 7 11 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00004296 > A > 158518 > F > 77740 > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.3568 1.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3568 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3624 -1.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0672 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 -0.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0701 -1.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3509 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3565 1.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3565 2.2390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0701 1.0013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3597 -2.2390 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 7 1 0 2 4 2 0 2 5 1 0 4 6 1 0 5 7 2 0 3 6 2 0 8 1 1 0 8 9 2 0 8 10 1 0 11 3 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00004344 > A > 139262 > F > 25931 > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.0705 -0.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.8512 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 0.6195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.8527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 9 11 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00004332 > A > C63359 > F > 25930 > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.3811 0.5886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3811 -0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3866 -1.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0915 -0.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3238 -0.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0944 -1.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3267 -1.4168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0944 -0.4313 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3323 1.0011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3323 1.8264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0458 0.5886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 7 1 0 2 4 2 0 2 5 1 0 4 6 1 0 5 7 2 0 3 6 2 0 8 5 1 0 9 1 1 0 9 10 2 0 9 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00004317 > A > 190632 > F > 25929 > - > - $$$$ 12 11 0 0 0 0 0 0 0 0 1 V2000 -2.5503 -1.5597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5503 -0.7798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5493 1.5597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5493 0.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4504 -1.5597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7404 -1.5597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2904 -0.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3904 -0.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0594 -0.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9593 -0.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4093 0.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4504 0.7788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 3 4 2 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00004428 > A > S5200 > F > 60930 > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.0499 -0.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3624 0.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0587 -1.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3337 1.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3624 0.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3395 2.2461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3539 -0.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 -1.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 1.0342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3682 -1.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3854 -2.2461 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0587 0.2407 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 4 5 1 0 2 5 1 0 4 6 2 0 2 7 1 0 3 8 2 0 4 9 1 0 8 10 1 0 8 11 1 0 7 10 2 0 7 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00009999 > A > 264474 > F > 36948 > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.7133 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7133 -0.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7104 -0.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7104 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7133 2.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7133 2.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7133 -2.0613 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 3 10 1 0 10 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00002568 > A > 270792 > F > 26559 > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.7167 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0042 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 1.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0042 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -1.0292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 10 1 0 0 0 0 8 2 1 0 0 0 0 9 8 2 0 0 0 0 10 6 1 0 0 0 0 11 9 1 0 0 0 0 6 11 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00191922 > A > 424315 > F > 26557 > - > - $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 6.3184 -6.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3184 -7.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6051 -7.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8947 -7.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8947 -6.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6051 -6.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6051 -5.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3184 -4.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3184 -4.0976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0320 -5.3353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6051 -8.6329 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3172 -9.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8930 -9.0440 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 3 11 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 G 11 3 NO2 M CHG 2 11 1 13 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 11 12 13 M SBL 1 1 9 M SDI 1 4 5.4000 -8.3500 5.8000 -8.3500 M SMT 1 NO2 M SBV 1 9 0.0000 0.8200 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00007383 > A > N20204 > F > 73650 > - > - $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 4.6156 -7.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6156 -7.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3289 -6.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0436 -7.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0436 -7.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3289 -8.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3289 -5.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7640 -6.6744 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.7598 -5.8480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4844 -7.0855 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6144 -5.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6144 -4.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8999 -5.8575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 3 4 2 0 0 0 0 7 11 1 0 0 0 0 4 5 1 0 0 0 0 11 12 2 0 0 0 0 5 6 2 0 0 0 0 11 13 1 0 0 0 0 G 8 4 NO2 M CHG 2 8 1 10 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 8 9 10 M SBL 1 1 3 M SDI 1 4 6.6200 -6.9800 6.4100 -6.6200 M SMT 1 NO2 M SBV 1 3 -0.7200 -0.4200 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00007190 > A > 130249 > F > 73648 > - > - $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 6.0259 -6.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0259 -7.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3126 -7.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -7.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3126 -6.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3126 -5.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0259 -5.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0259 -4.2721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7436 -5.5140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7464 -8.0043 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.4589 -7.5946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7384 -8.8404 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 2 11 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 G 11 2 NO2 M CHG 2 11 1 13 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 11 12 13 M SBL 1 1 9 M SDI 1 4 6.4000 -8.0300 6.6000 -7.6800 M SMT 1 NO2 M SBV 1 9 -0.7200 0.4300 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00007278 > A > 103608 > F > 73647 > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.7132 -0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -1.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -1.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7105 -1.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7105 -0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4238 -0.2050 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4267 -0.2050 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7134 1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7134 1.8550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4267 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 5 8 1 0 1 9 1 0 7 10 1 0 10 11 2 0 10 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00004319 > A > 24660 > - > - > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 0.3495 2.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0686 2.4466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3609 0.8107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3582 1.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3553 -0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3811 -1.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3294 2.4495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3781 -2.4495 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0686 -0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3238 -0.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3323 -1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0628 -1.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 4 1 0 1 4 1 0 3 5 1 0 6 11 1 0 1 7 2 0 6 8 1 0 5 9 2 0 5 10 1 0 10 11 2 0 9 12 1 0 6 12 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00004305 > F > 25890 > - > - > - > - $$$$ 16 15 0 0 0 0 0 0 0 0 1 V2000 0.3458 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0458 0.3750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.3458 -1.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 0.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 1.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0458 -0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -0.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -0.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1417 0.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 0.7917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3458 0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 9 1 0 0 0 0 3 14 1 0 0 0 0 4 8 1 0 0 0 0 5 1 2 0 0 0 0 6 2 2 0 0 0 0 7 3 2 0 0 0 0 8 1 1 0 0 0 0 9 4 1 0 0 0 0 10 2 1 0 0 0 0 11 1 1 0 0 0 0 12 3 1 0 0 0 0 13 16 1 0 0 0 0 14 13 1 0 0 0 0 15 4 1 0 0 0 0 16 15 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD01862973 > F > 21925 > - > - > - > - $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 4.3034 -3.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8109 -2.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3185 -3.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8260 -2.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3336 -3.1187 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8411 -2.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3487 -3.1187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8411 -2.2403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3336 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8260 -3.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 6 8 2 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00002675 > A > 240737 > F > 03300 > R > 15061 $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 -1.0679 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0679 -0.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3546 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3558 -0.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3558 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3546 0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3546 1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0679 2.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3587 2.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3546 -1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0679 -2.0613 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0679 -1.2333 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0679 -0.4110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3558 -1.6444 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 3 10 1 0 0 0 0 10 11 1 0 0 0 0 4 12 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 G 12 4 NO2 M CHG 2 12 1 14 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 12 13 14 M SBL 1 1 10 M SMT 1 NO2 M SBV 1 10 -0.7100 0.8200 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00216575 > A > 423564 > F > 17604 > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 5.1815 -4.9810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1815 -5.8063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8834 -6.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8834 -7.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1815 -7.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4796 -4.5656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4796 -6.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4796 -7.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8834 -4.6086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1815 -8.2844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4670 -8.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 5 8 1 0 0 0 0 1 6 2 0 0 0 0 2 7 1 0 0 0 0 7 8 2 0 0 0 0 1 9 1 0 0 0 0 5 10 1 0 0 0 0 4 5 2 0 0 0 0 10 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00002542 > A > 117390 > F > 10550 > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.6962 1.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7105 -1.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0171 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6875 0.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 1.8364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 -1.8364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4153 -0.6218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0086 1.8134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6875 -1.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4153 0.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 -0.6245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0171 0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 1 4 1 0 1 5 2 0 2 6 2 0 2 7 1 0 1 8 1 0 9 11 2 0 4 10 2 0 10 11 1 0 3 9 1 0 3 12 2 0 4 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00002516 > A > I19209 > F > 59200 > - > - $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 1.1940 2.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4928 1.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 1.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4928 -1.6658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3564 2.3356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -1.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4364 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4364 -2.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3564 1.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3564 -1.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00001518 > A > C104507 > F > 29382 > - > - $$$$ 16 16 0 0 0 0 0 0 0 0 1 V2000 7.0078 -6.5536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0078 -7.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2945 -7.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5841 -7.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5841 -6.5536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2945 -6.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2945 -5.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8708 -6.1411 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.8708 -5.3188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1588 -6.5522 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.2945 -8.6163 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.5825 -9.0274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0066 -9.0274 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.0125 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0167 -4.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 -5.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 11 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 1 6 1 0 0 0 0 7 14 1 0 0 0 0 6 7 1 0 0 0 0 14 15 2 0 0 0 0 5 8 1 0 0 0 0 14 16 1 0 0 0 0 G 8 5 NO2 G 11 3 NO2 M CHG 4 8 1 10 -1 11 1 13 -1 M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 3 8 9 10 M SBL 1 1 15 M SDI 1 4 5.2100 -6.0900 5.0000 -6.4500 M SMT 1 NO2 M SBV 1 15 0.7100 -0.4200 M SAL 2 3 11 12 13 M SBL 2 1 1 M SDI 2 4 6.0800 -8.3300 6.4900 -8.3300 M SMT 2 NO2 M SBV 2 1 0.0000 0.8300 M SDS EXP 2 1 2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00007227 > A > 209562 > F > 42200 > - > - $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 1.8527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.8527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.4402 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0705 -0.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.8512 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 7 8 2 0 7 9 1 0 3 10 1 0 4 11 1 0 11 12 2 0 11 13 1 0 M CHG 2 11 1 13 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 11 12 13 M SBL 1 1 11 M SMT 1 NO2 M SBV 1 11 -7.6362 5.6755 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00007174 > A > 151408 > F > 68026 > - > - $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 4.8099 -4.3826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5285 -8.0979 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5285 -4.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5285 -5.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5285 -7.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2441 -6.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8141 -6.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8141 -6.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2441 -6.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2447 -8.5116 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -4.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8083 -8.5042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5208 -8.9208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 5 8 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 6 9 1 0 0 0 0 5 9 2 0 0 0 0 2 10 1 0 0 0 0 3 11 1 0 0 0 0 2 5 1 0 0 0 0 2 12 1 0 0 0 0 1 3 2 0 0 0 0 2 13 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00002562 > A > 196894 > F > 91780 > - > - $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 3.6976 -2.5549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3796 -5.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3796 -2.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3796 -3.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6976 -4.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0958 -4.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6976 -4.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0958 -4.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0786 -2.5491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -5.4046 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8000 -4.4625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 -6.2000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -4.9875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 2 0 0 0 0 4 7 2 0 0 0 0 9 3 1 0 0 0 0 6 10 1 0 0 0 0 1 3 2 0 0 0 0 10 11 1 0 0 0 0 3 4 1 0 0 0 0 10 12 1 0 0 0 0 4 8 1 0 0 0 0 10 13 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00002519 > A > 188344 > F > 91770 > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 0.3637 1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3382 1.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3382 0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3666 2.2247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0571 -0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 1.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3839 -1.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0314 1.4310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 -1.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3668 -2.2247 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 2 0 3 5 2 0 3 6 1 0 1 7 1 0 8 11 1 0 2 9 1 0 5 10 1 0 6 11 2 0 8 12 1 0 8 10 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00004232 > A > B71209 > F > 17520 > - > - $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 4.6297 -6.6799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6297 -7.5049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3430 -7.9174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0534 -7.5049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0534 -6.6799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3430 -6.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3430 -5.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6297 -5.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0563 -5.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7696 -7.9174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 -6.2674 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.7667 -5.4452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4787 -6.6785 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 G 11 5 NO2 M CHG 2 11 1 13 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 11 12 13 M SBL 1 1 9 M SDI 1 4 6.6200 -6.5800 6.4200 -6.2200 M SMT 1 NO2 M SBV 1 9 -0.7100 -0.4100 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00007180 > A > M60406 > F > 68018 > - > - $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 4.6190 -6.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6190 -7.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3323 -7.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0469 -7.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0469 -6.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3323 -5.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3323 -5.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6148 -4.6889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0456 -4.6889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7685 -5.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7673 -7.5875 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.4798 -7.1778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7635 -8.4195 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 5 10 1 0 0 0 0 4 11 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 G 11 4 NO2 M CHG 2 11 1 13 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 11 12 13 M SBL 1 1 9 M SDI 1 4 6.4200 -7.6200 6.6200 -7.2700 M SMT 1 NO2 M SBV 1 9 -0.7200 0.4200 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00007160 > A > 137847 > F > 68010 > - > - $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 2.8083 -6.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5208 -5.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2333 -6.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3037 -3.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3311 -5.0623 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0195 -5.4632 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3041 -4.8371 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6147 -4.3713 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5292 -5.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 -4.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 -4.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2699 -6.2492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6891 -5.1888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3011 -3.8135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 4 1 0 0 0 0 5 9 1 0 0 0 0 1 2 1 0 0 0 0 8 10 1 0 0 0 0 9 10 1 0 0 0 0 7 11 1 6 0 0 0 2 3 1 0 0 0 0 6 12 1 6 0 0 0 4 5 1 0 0 0 0 11 13 1 0 0 0 0 5 6 1 0 0 0 0 11 14 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00149386 > F > 07105 > - > - > - > - $$$$ 12 11 0 0 0 0 0 0 0 0 1 V2000 -0.7155 -0.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7155 1.0953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -0.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1376 -0.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4221 -0.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1578 -1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1376 1.0953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1332 -0.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1332 1.0953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1578 -1.0953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 2 0 0 0 2 5 1 0 0 0 3 6 1 0 0 0 5 7 1 0 0 0 6 8 1 0 0 0 6 9 2 0 0 0 7 10 1 0 0 0 10 11 2 0 0 0 10 12 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00083300 > S > D5913 > - > - > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.7132 -0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -1.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -1.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7105 -1.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7105 -0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7134 1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7134 1.8550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4267 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4238 -0.2050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4267 -1.8550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 5 11 1 0 2 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00004324 > F > 53560 > S > H0751 > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 6 7 2 0 4 8 2 0 2 9 1 0 5 10 1 0 10 11 1 0 10 12 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00066709 > A > D2900 > F > 30740 > S > D3375 $$$$ 15 15 0 0 0 0 0 0 0 0 1 V2000 0.7873 1.4114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2692 1.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1556 1.0462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2692 0.0464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9636 1.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1556 0.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5568 1.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5568 -0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2692 1.0462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5568 -1.0103 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2692 0.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9636 1.4443 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3442 -1.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4608 -1.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9636 -0.1871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2 4 2 0 0 0 2 5 1 0 0 0 3 6 2 0 0 0 3 7 1 0 0 0 6 8 1 0 0 0 7 9 2 0 0 0 8 10 1 0 0 0 8 11 2 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 10 13 2 0 0 0 10 14 2 0 0 0 11 15 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00057590 > S > H1132 > - > - > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 3.4277 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4266 -2.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9456 -3.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4662 -2.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4633 -2.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9438 -2.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9079 -2.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9413 -1.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9815 -2.0064 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.4597 -1.1101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4204 -1.1143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 2 2 0 0 0 0 1 7 1 0 0 0 0 3 4 2 0 0 0 0 6 8 1 0 0 0 0 5 9 1 0 0 0 0 4 5 1 0 0 0 0 8 10 1 0 0 0 0 2 3 1 0 0 0 0 8 11 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD01310788 > A > 665673 > - > - > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.0701 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0713 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3565 -1.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 -0.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3571 0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 0.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 0.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7861 0.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0669 1.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7861 -1.2411 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0751 -1.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 7 9 2 0 0 0 2 10 1 0 0 0 4 11 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00040905 > A > 665126 > - > - > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 5.1960 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -6.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9115 -6.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6269 -6.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6269 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9115 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3489 -5.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 -5.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3447 -4.4323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9115 -7.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4782 -6.9323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 3 10 1 0 0 0 0 2 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00270105 > A > 659282 > - > - > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.4265 0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.9256 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.3104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.5437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -1.1326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 4 8 1 0 7 9 1 0 7 10 2 0 3 11 1 0 11 12 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 11 12 M SBL 1 1 11 M SMT 1 OCH3 M SBV 1 11 -3.4835 3.0218 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD07784399 > A > 657905 > - > - > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -1.2339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 2 8 1 0 7 9 1 0 7 10 2 0 4 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD02182261 > A > 653160 > - > - > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.2663 -1.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2663 -1.8493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5518 -2.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1627 -1.8493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1627 -1.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5518 -0.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8747 -0.6132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5867 -1.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8747 0.2089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5518 -3.0839 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.9808 -2.2618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6953 -1.8493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 3 10 1 0 0 0 0 2 11 1 0 0 0 0 1 2 2 0 0 0 0 11 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00016512 > A > 653179 > - > - > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.4265 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2354 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.1385 1.2339 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1385 -0.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 7 9 1 0 1 10 1 0 8 11 1 0 8 12 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD08276759 > A > 638668 > - > - > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.0717 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -2.2659 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 2.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0692 1.4423 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 3 7 1 0 8 9 1 0 9 10 1 0 10 6 1 0 9 11 2 0 10 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD08276760 > A > 638676 > - > - > - > - $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 6.1062 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1062 -6.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -4.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6772 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6772 -6.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -6.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -3.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6797 -3.5751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1037 -3.5751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8206 -4.8083 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.5369 -5.2147 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.8224 -3.9772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -7.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3962 -8.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5 6 2 0 0 0 0 6 2 1 0 0 0 0 3 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 6 13 1 0 0 0 0 1 10 1 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 13 14 1 0 0 0 0 G 13 6 OMe M CHG 2 10 1 11 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 13 14 M SBL 1 1 6 M SMT 1 OMe M SBV 1 6 0.0000 0.8200 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD04972109 > A > 638722 > - > - > - > - $$$$ 16 16 0 0 0 0 0 0 0 0 1 V2000 7.5154 -5.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5154 -6.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8010 -4.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0865 -5.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0865 -6.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8010 -6.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8010 -3.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0890 -3.5876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5130 -3.5876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8010 -7.2958 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.0877 -7.7129 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.5166 -7.7129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2299 -4.8208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4417 -4.0208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.0250 -4.6042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.8125 -5.4042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 6 10 1 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 3 4 2 0 0 0 0 1 13 1 0 0 0 0 4 5 1 0 0 0 0 13 14 1 0 0 0 0 5 6 2 0 0 0 0 13 15 1 0 0 0 0 6 2 1 0 0 0 0 13 16 1 0 0 0 0 M CHG 2 10 1 11 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD04039246 > A > 638706 > - > - > - > - $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 6.0567 -6.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0567 -7.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3422 -5.8722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6277 -6.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6277 -7.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3422 -7.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3422 -5.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6302 -4.6390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -4.6390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3422 -8.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7711 -5.8722 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.4867 -6.2836 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.7722 -5.0461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 2 1 0 0 0 0 3 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 6 10 1 0 0 0 0 1 11 1 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 M CHG 2 11 1 12 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00033899 > A > 638293 > - > - > - > - $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 7.0395 -6.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0395 -7.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -5.9438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6105 -6.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6105 -7.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -7.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7515 -5.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -5.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6130 -4.7105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0370 -4.7105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8960 -7.5938 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.1796 -7.1827 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.8941 -8.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 2 1 0 0 0 0 1 7 1 0 0 0 0 3 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 5 11 1 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 M CHG 2 11 1 12 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00007371 > A > 638307 > - > - > - > - $$$$ 16 16 0 0 0 0 0 0 0 0 1 V2000 7.5154 -5.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5154 -6.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8010 -4.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0865 -5.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0865 -6.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8010 -6.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8010 -3.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0890 -3.5876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5130 -3.5876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8010 -7.2958 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.2299 -6.4708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0250 -6.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -7.2625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.9450 -6.8823 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0877 -7.7129 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.5166 -7.7129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 6 10 1 0 0 0 0 1 2 2 0 0 0 0 2 11 1 0 0 0 0 1 3 1 0 0 0 0 11 12 1 0 0 0 0 3 4 2 0 0 0 0 11 13 1 0 0 0 0 4 5 1 0 0 0 0 11 14 1 0 0 0 0 5 6 2 0 0 0 0 6 2 1 0 0 0 0 10 15 1 0 0 0 0 10 16 2 0 0 0 0 M CHG 2 10 1 15 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD06200716 > A > 638714 > - > - > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.3585 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 1.8527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.8527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.8527 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 2 1 0 1 7 1 0 3 8 1 0 8 9 2 0 8 10 1 0 6 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD04115880 > A > 638323 > - > - > - > - $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 6.3460 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3460 -6.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6315 -5.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9170 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9170 -6.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6315 -7.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0580 -5.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6315 -4.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9195 -4.5085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3435 -4.5085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -8.2167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.9073 -8.6235 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.3362 -8.6348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 2 1 0 0 0 0 1 7 1 0 0 0 0 3 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 6 11 1 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 M CHG 2 11 1 12 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00210697 > A > 638315 > - > - > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.8527 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 1.8527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.8527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 3 8 1 0 6 9 1 0 9 10 2 0 9 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00045852 > A > 634034 > - > - > - > - $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 5.3438 -6.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3438 -7.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0583 -7.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7728 -7.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7728 -6.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0583 -6.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0583 -5.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7728 -4.8494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3463 -4.8508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -7.7326 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.4848 -6.0854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -8.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 -9.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 2 10 1 0 0 0 0 5 11 1 0 0 0 0 3 12 1 0 0 0 0 1 2 2 0 0 0 0 12 13 1 0 0 0 0 G 12 3 OMe M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 12 13 M SBL 1 1 11 M SMT 1 OMe M SBV 1 11 0.0000 0.8200 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD05865173 > A > 593893 > - > - > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.0717 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 -1.8548 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 4 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00046548 > A > 587001 > - > - > - > - $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 -0.3546 -1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3599 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3599 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3546 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0691 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0691 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3546 1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0691 1.4423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7811 -1.4409 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3599 1.4423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0718 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0691 0.2077 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0691 1.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7811 -0.2034 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 3 12 1 0 0 0 0 1 2 2 0 0 0 0 10 11 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 G 10 7 OCH3 G 12 3 NO2 M CHG 2 12 1 14 -1 M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 2 10 11 M SBL 1 1 6 M SMT 1 OCH3 M SBV 1 6 -0.7100 -0.4100 M SAL 2 3 12 13 14 M SBL 2 1 7 M SMT 2 NO2 M SBV 2 7 -0.7100 -0.4100 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00272139 > A > 579823 > - > - > - > - $$$$ 13 13 0 0 0 1 V2000 -0.9345 -0.5379 0.0000 C 0 0 3 0 0 0 0 0 0 0.3138 -1.2552 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9345 0.8966 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1724 -1.2552 0.0000 C 0 0 3 0 0 0 0 0 0 1.5448 -0.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0.3138 1.6103 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3000 -1.9069 0.0000 F 0 0 0 0 0 0 0 0 0 -3.5690 -0.7241 0.0000 F 0 0 0 0 0 0 0 0 0 -2.4103 -2.7310 0.0000 F 0 0 0 0 0 0 0 0 0 1.5448 0.8966 0.0000 C 0 0 3 0 0 0 0 0 0 2.7828 1.6069 0.0000 C 0 0 0 0 0 0 0 0 0 4.0310 0.8966 0.0000 O 0 0 0 0 0 0 0 0 0 2.7759 3.0483 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 3 6 1 0 0 0 4 7 1 0 0 0 4 8 1 0 0 0 4 9 1 0 0 0 5 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 11 13 2 0 0 0 6 10 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00220049 > A > 579122 > - > - > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 1.8541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.8541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.6195 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 3 7 1 0 6 8 1 0 8 9 1 0 8 10 2 0 5 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00045797 > A > 560170 > - > - > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.3583 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -1.4375 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 8 2 0 0 0 0 11 10 1 0 0 0 0 4 11 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00270097 > A > 560162 > - > - > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.9785 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9785 -1.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3204 -2.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6194 -1.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6194 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3204 0.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9184 0.5450 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3204 2.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6194 2.7949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9785 2.7949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2774 0.5450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5764 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 11 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00671764 > A > 547891 > - > - > - > - $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 -2.1824 -0.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1824 0.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8835 1.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4154 0.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4154 -0.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8835 -1.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4814 1.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7804 0.6850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7145 -1.5649 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0134 -0.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3125 -1.5649 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0134 0.6850 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0134 -2.3150 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4814 2.9349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 7 8 1 0 0 0 0 7 14 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00040906 > A > 555487 > - > - > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.0705 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 1.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.2070 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 7 8 2 0 7 9 1 0 5 10 1 0 4 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00079764 > A > 560499 > - > - > - > - $$$$ 11 11 0 0 0 1 V2000 -0.4517 0.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0.7931 -0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4517 1.9690 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7000 -0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0.7931 -1.6345 0.0000 C 0 0 0 0 0 0 0 0 0 2.0276 0.5172 0.0000 Br 0 0 0 0 0 0 0 0 0 0.7793 2.6448 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6828 2.6621 0.0000 O 0 0 0 0 0 0 0 0 0 -1.7000 -1.6345 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4517 -2.3586 0.0000 C 0 0 0 0 0 0 0 0 0 2.0276 -2.3414 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 2 0 0 0 2 5 2 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 3 8 2 0 0 0 4 9 1 0 0 0 5 10 1 0 0 0 5 11 1 0 0 0 9 10 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00079721 > A > 560219 > - > - > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -2.9229 1.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9229 -0.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6239 -1.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3249 -0.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3249 1.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6239 1.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 1.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2729 1.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 -1.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2729 -0.3400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 -2.5899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 3.4099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00025476 > A > 556998 > - > - > - > - $$$$ 12 11 0 0 0 0 0 0 0 0 1 V2000 -3.2324 -0.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9335 -1.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6345 -0.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6645 -1.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9634 -0.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6345 0.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6345 -2.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9335 1.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2324 0.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9335 3.1399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9634 0.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2624 -1.3600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 5 11 2 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00020494 > A > 555835 > - > - > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 4.5726 -3.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5726 -3.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0896 -4.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6066 -3.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6066 -3.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0896 -2.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1236 -2.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6407 -3.1765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1236 -2.2822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1226 -4.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7185 -4.0714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 7 1 0 0 0 0 7 9 2 0 0 0 0 4 10 1 0 0 0 0 1 2 2 0 0 0 0 10 11 3 0 0 0 0 G 10 4 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 10 11 M SBL 1 1 9 M SMT 1 CN M SBV 1 9 -0.5200 0.3000 M END > (C) 2008 SIGMA-ALDRICH CO. > 16353353 > MFCD00045796 > A > 527742 > - > - > - > - $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 1.42