5 3 0 0 0 0 0 0 0 0 1 V2000 -1.5357 -0.6173 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8212 -0.2048 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1067 -0.6173 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8212 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5357 -0.2220 0.0000 Ag 0 3 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 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003414 > SIGMA-ALDRICH > 209139 > ALDRICH > 248762 > - > - > 16253080 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 3.7708 -5.3375 0.0000 Ag 0 0 0 0 0 0 0 0 0 0 0 0 4.4833 -4.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1958 -5.3333 0.0000 Ag 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003404 > ALDRICH > 221163 > - > - > - > - > 16253080 $$$$ 9 7 0 0 0 0 0 0 0 0 1 V2000 2.3996 -0.0458 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.3996 0.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3996 -0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0855 -0.0650 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2083 0.0000 0.0000 Ag 0 3 0 0 0 0 0 0 0 0 0 0 1.2746 -0.0625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2746 -0.8846 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4525 -0.0625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2746 0.7596 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 4 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 G 6 1 ^CF3 M CHG 2 4 -1 5 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 6 7 8 9 M SBL 1 1 3 M SMT 1 ^CF3 M SBV 1 3 1.1200 0.0200 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00013226 > ALDRICH > 483346 > FLUKA > 85325 > - > - > 16253080 $$$$ 7 4 0 0 0 0 0 0 0 0 1 V2000 -0.6651 0.0229 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0493 0.4354 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7638 0.0229 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0493 1.2576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0493 -0.3867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 -0.6130 0.0000 Ag 0 3 0 0 0 0 0 0 0 0 0 0 -1.9336 -1.2576 0.0000 Ag 0 3 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 2 0 0 0 2 5 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003407 > SIGMA-ALDRICH > 225673 > ALDRICH > 204412 > FLUKA > 85280 > 16253080 $$$$ 18 16 0 0 0 0 0 0 0 0 1 V2000 -1.9118 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0868 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0868 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9118 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3243 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6757 -0.0025 0.0000 Ag 0 0 0 0 0 0 0 0 0 0 0 0 -2.3228 1.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0348 1.0154 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.7339 2.1385 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6108 1.8375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3228 -1.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6108 -1.8375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.7339 -2.1385 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0348 -1.0154 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3203 -0.1911 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.0348 -0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6084 -0.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3203 0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 1 2 0 0 0 2 6 1 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 1 11 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 11 14 1 0 0 0 15 16 1 0 0 0 15 17 1 0 0 0 15 18 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 7 8 9 10 M SBL 1 1 6 M SMT 1 CF3 M SBV 1 6 -6.6197 3.3921 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 11 12 13 14 M SBL 2 1 10 M SMT 2 CF3 M SBV 2 10 -6.6197 1.9681 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00269843 > ALDRICH > 424293 > - > - > - > - > 16253080 $$$$ 6 4 0 0 0 0 0 0 0 0 1 V2000 0.5293 0.0000 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 0.5293 -0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1827 0.4111 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2413 0.4111 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5293 0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2413 0.0430 0.0000 Ag 0 3 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 1 2 3 4 5 M SMT 1 BF4 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003408 > ALDRICH > 483052 > - > - > - > - > 16253080 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.7500 0.0000 0.0000 Ag 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003398 > RIEDEL > 10448 > - > - > - > - > 16253080 $$$$ 12 11 0 0 0 0 0 0 0 0 1 V2000 0.0828 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0828 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6317 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3462 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3462 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6317 -1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7948 0.4118 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7948 1.2368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7948 -0.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0582 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6198 0.4118 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0582 -1.0742 0.0000 Ag 0 3 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 2 7 1 0 0 0 7 8 2 0 0 0 7 9 2 0 0 0 7 11 1 0 0 0 5 10 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00007511 > ALDRICH > 176427 > FLUKA > 85320 > - > - > 16253080 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 3.7708 -5.3375 0.0000 Ag 0 0 0 0 0 0 0 0 0 0 0 0 4.4833 -4.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1958 -5.3333 0.0000 Ag 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003404 > ALDRICH > 226831 > - > - > - > - > 16253080 $$$$ 7 4 0 0 0 0 0 0 0 0 1 V2000 -0.6651 0.0229 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0493 0.4354 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7638 0.0229 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0493 1.2576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0493 -0.3867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 -0.6130 0.0000 Ag 0 3 0 0 0 0 0 0 0 0 0 0 -1.9336 -1.2576 0.0000 Ag 0 3 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 2 0 0 0 2 5 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003407 > SIGMA-ALDRICH > 10229 > ALDRICH > 204412 > FLUKA > 85280 > 16253080 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -0.3560 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.0007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.2339 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 0.4104 0.0000 Ag 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.0007 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 2 4 1 0 2 5 1 0 4 6 1 0 5 7 1 0 1 9 1 0 8 9 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 8 9 M SBL 1 1 7 M SMT 1 ^SAg M SBV 1 7 0.7145 0.4125 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00004929 > SIGMA-ALDRICH > D93503 > - > - > - > - > 16253080 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.4111 0.0000 0.0000 Ag 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003399 > SIGMA-ALDRICH > 227927 > ALDRICH > 204382 > - > - > 16253080 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 0.3563 0.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3573 1.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0677 -0.2060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0666 -1.0281 0.0000 Ag 0 0 0 0 0 0 0 0 0 0 0 0 -0.3563 -0.2041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0677 0.2079 0.0000 Ag 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 3 4 1 0 1 5 1 0 5 6 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 3 4 M SBL 1 2 2 2 M SMT 1 OAg M SBV 1 2 -0.7115 0.4120 M SBV 1 2 -0.7115 0.4120 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 5 6 M SBL 2 1 4 M SMT 2 ^OAg M SBV 2 4 0.7125 0.4101 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 1 2 M SMT 3 Ag2CO3 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003403 > ALDRICH > 179647 > FLUKA > 85150 > - > - > 16253080 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 0.3563 0.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3573 1.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0677 -0.2060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0666 -1.0281 0.0000 Ag 0 0 0 0 0 0 0 0 0 0 0 0 -0.3563 -0.2041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0677 0.2079 0.0000 Ag 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 3 4 1 0 1 5 1 0 5 6 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 3 4 M SBL 1 2 2 2 M SMT 1 OAg M SBV 1 2 -0.7115 0.4120 M SBV 1 2 -0.7115 0.4120 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 5 6 M SBL 2 1 4 M SMT 2 ^OAg M SBV 2 4 0.7125 0.4101 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 1 2 M SMT 3 Ag2CO3 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003403 > ALDRICH > 438448 > FLUKA > 85150 > - > - > 16253080 $$$$ 6 4 0 0 0 0 0 0 0 0 1 V2000 0.5293 0.0000 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 0.5293 -0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1827 0.4111 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2413 0.4111 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5293 0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2413 0.0430 0.0000 Ag 0 3 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 1 2 3 4 5 M SMT 1 BF4 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003408 > ALDRICH > 208361 > - > - > - > - > 16253080 $$$$ 22 21 0 0 0 0 0 0 0 0 1 V2000 -1.1172 0.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1172 1.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1296 -0.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1172 -1.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8752 1.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8759 -0.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2045 -0.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2045 0.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3435 0.0000 0.0000 Ag 0 0 0 0 0 0 0 0 0 0 0 0 0.2554 -0.7082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0803 -0.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4821 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0803 0.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2582 0.7129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4941 1.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7837 1.8324 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9079 2.1291 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2045 1.0049 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4941 -1.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2045 -1.0049 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9079 -2.1291 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7837 -1.8324 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3 6 1 0 0 0 4 7 1 0 0 0 5 2 1 0 0 0 6 5 1 0 0 0 7 8 1 0 0 0 8 1 1 0 0 0 4 3 2 0 0 0 1 2 2 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 15 1 0 0 0 11 19 1 0 0 0 13 14 2 0 0 0 15 16 1 0 0 0 15 17 1 0 0 0 15 18 1 0 0 0 19 20 1 0 0 0 19 21 1 0 0 0 19 22 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00075413 > ALDRICH > 348198 > - > - > - > - > 16253080 $$$$ 16 15 0 0 0 0 0 0 0 0 1 V2000 6.3669 -0.4333 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.9017 0.3016 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.8392 -1.1057 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.5857 0.8490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4491 -0.0145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2339 -1.4069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4713 -1.1057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -0.4333 0.0000 Ag 0 0 0 0 0 0 0 0 0 0 0 0 7.4398 0.8396 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.8861 0.3932 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9934 0.3932 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9934 1.2860 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1592 -1.7771 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7059 -1.4615 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.4753 -2.3246 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6125 -2.0928 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 2 9 1 0 0 0 0 3 6 2 0 0 0 0 3 7 2 0 0 0 0 3 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 G 9 2 CF3 G 13 3 CF3 M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 4 9 10 11 12 M SBL 1 1 9 M SMT 1 CF3 M SBV 1 9 -0.5300 -0.5400 M SAL 2 4 13 14 15 16 M SBL 2 1 12 M SMT 2 CF3 M SBV 2 12 -0.3200 0.6700 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD08457644 > ALDRICH > 668001 > - > - > - > - > 16253080 $$$$ 1 0 0 0 0 0 0 0 0 0 1 V2000 2.8333 -2.3708 0.0000 Ag 0 0 0 0 0 15 0 0 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003397 > ALDRICH > 697729 > FLUKA > 85130 > - > - > 16253080 $$$$ 5 3 0 0 0 0 0 0 0 0 1 V2000 2.3123 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6110 -1.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3123 0.9416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0189 -1.3085 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9688 -0.1169 0.0000 Ag 0 3 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00012446 > SIGMA-ALDRICH > 216674 > ALDRICH > 204374 > RIEDEL > 63050 > 16253080 $$$$ 8 6 0 0 0 0 0 0 0 0 1 V2000 -3.1697 1.5331 0.0000 Ag 0 3 0 0 0 0 0 0 0 0 0 0 -0.6256 1.4042 0.0000 Sb 0 5 0 0 0 0 0 0 0 0 0 0 -0.6256 0.5821 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3376 1.8153 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0863 1.8153 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6256 2.2263 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0863 0.9931 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3376 0.9931 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 M CHG 2 1 1 2 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003401 > ALDRICH > 227730 > FLUKA > 85185 > RIEDEL > 10243 > 16253080 $$$$ 18 14 0 0 0 0 0 0 0 0 1 V2000 -2.6258 -0.0877 0.0000 Ag 0 3 0 0 0 0 0 0 0 0 0 0 -1.8559 -0.8576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2660 -1.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -1.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4058 0.6920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9558 1.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0558 1.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9738 -0.4376 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 2.8739 -0.4376 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0738 -0.4376 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9738 0.6620 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9738 -1.5376 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4258 -0.8876 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9738 -1.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0738 -1.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7358 0.7419 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 1.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0438 1.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 2 1 0 0 0 0 2 3 3 0 0 0 0 3 4 1 0 0 0 0 5 6 3 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 13 14 3 0 0 0 0 14 15 1 0 0 0 0 16 17 3 0 0 0 0 17 18 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00211432 > ALDRICH > 377163 > - > - > - > - > 16253080 $$$$ 8 6 0 0 0 0 0 0 0 0 1 V2000 -1.6280 0.1289 0.0000 Ag 0 3 0 0 0 0 0 0 0 0 0 0 0.9161 0.0000 0.0000 P 0 5 0 0 0 0 0 0 0 0 0 0 0.9161 -0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2041 0.4111 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6280 0.4111 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9161 0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6280 -0.4111 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2041 -0.4111 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 2 7 1 0 0 0 2 8 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003415 > ALDRICH > 227722 > FLUKA > 85186 > RIEDEL > 10244 > 16253080 $$$$ 8 6 0 0 0 0 0 0 0 0 1 V2000 -1.6280 0.1289 0.0000 Ag 0 3 0 0 0 0 0 0 0 0 0 0 0.9161 0.0000 0.0000 P 0 5 0 0 0 0 0 0 0 0 0 0 0.9161 -0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2041 0.4111 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6280 0.4111 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9161 0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6280 -0.4111 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2041 -0.4111 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 2 7 1 0 0 0 2 8 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003415 > ALDRICH > 450219 > FLUKA > 85186 > RIEDEL > 10244 > 16253080 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 0.0002 0.0000 0.0000 Ag 0 0 0 0 0 0 0 0 0 0 0 0 -1.2988 0.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2992 0.7499 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003411 > RIEDEL > 10212 > - > - > - > - > 16253080 $$$$ 8 4 0 0 0 0 0 0 0 0 1 V2000 6.9000 -1.6750 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.1458 -0.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1083 -2.3708 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.6875 -2.3708 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.6500 -0.3750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.1500 0.0000 0.0000 Ag 0 3 0 0 0 0 0 0 0 0 0 0 9.9917 -2.2167 0.0000 Ag 0 3 0 0 0 0 0 0 0 0 0 0 6.1208 -3.4333 0.0000 Ag 0 3 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 M CHG 6 3 -1 4 -1 5 -1 6 1 7 1 8 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00014148 > RIEDEL > 10245 > - > - > - > - > 16253080 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 5.9465 -5.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4269 -5.5771 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9465 -4.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9073 -5.2771 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4269 -6.1646 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 -5.8667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -5.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9625 -5.2708 0.0000 Ag 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 5 1 0 0 0 0 4 2 1 0 0 0 0 2 6 1 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00013199 > FLUKA > 85322 > - > - > - > - > 16253080 $$$$ 6 2 0 0 0 0 0 0 0 0 1 V2000 0.3660 -0.3750 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 1.6650 0.1949 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 2.9639 -0.5550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 -1.4549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -2.2049 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 3.0239 -1.4549 0.0000 Ag 0 3 0 0 0 0 0 0 0 0 0 0 2 3 3 0 0 0 0 4 5 3 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00036297 > ALDRICH > 379166 > RIEDEL > 10201 > - > - > 16253080 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.3745 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2996 -0.3744 0.0000 Ag 0 0 0 0 0 0 0 0 0 0 0 0 1.2995 -0.3744 0.0000 Ag 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003406 > FLUKA > 85290 > RIEDEL > 10230 > - > - > 16253080 $$$$ 6 4 0 0 0 0 0 0 0 0 1 V2000 -2.2249 -0.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 0.1850 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3729 -0.5649 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9260 1.6849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -1.3149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8149 0.3750 0.0000 Ag 0 3 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00064795 > ALDRICH > 550256 > - > - > - > - > 16253080 $$$$ 9 7 0 0 0 0 0 0 0 0 1 V2000 2.3996 -0.0458 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.3996 0.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3996 -0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0855 -0.0650 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2083 0.0000 0.0000 Ag 0 3 0 0 0 0 0 0 0 0 0 0 1.2746 -0.0625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2746 -0.8846 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4525 -0.0625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2746 0.7596 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 4 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 G 6 1 ^CF3 M CHG 2 4 -1 5 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 6 7 8 9 M SBL 1 1 3 M SMT 1 ^CF3 M SBV 1 3 1.1200 0.0200 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00013226 > ALDRICH > 176435 > FLUKA > 85325 > - > - > 16253080 $$$$ 5 3 0 0 0 0 0 0 0 0 1 V2000 -1.1355 -0.1208 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.1355 0.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 -0.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5521 -0.7042 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8500 0.5323 0.0000 Ag 0 3 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00046157 > RIEDEL > 10241 > - > - > - > - > 16253080 $$$$