9 9 0 0 0 0 0 0 0 0 1 V2000 -0.1884 0.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0139 0.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2668 -0.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5997 -0.5921 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0688 -0.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4978 1.3413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7833 -0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4978 -0.1067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7833 -1.3413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 1 5 2 0 2 6 1 0 5 7 1 0 7 8 1 0 7 9 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00089284 > ALDRICH > 633550 > - > - > - > - > 16272363 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.3027 0.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1282 0.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 -0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 -0.6170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0454 -0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -0.5441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 -0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -1.3662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1098 1.3662 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 1 5 2 0 5 6 1 0 6 7 1 0 6 8 2 0 1 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00794287 > ALDRICH > 633054 > - > - > - > - > 16272363 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.0546 1.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7709 1.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0238 0.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 -0.2598 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3118 0.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7383 -0.1869 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0263 -0.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7383 0.2242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0263 -1.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 1 5 2 0 3 6 1 0 5 7 1 0 7 8 1 0 7 9 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00041426 > ALDRICH > 633003 > - > - > - > - > 16272363 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.1745 0.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 0.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2544 0.0160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9995 0.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2544 -0.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 -1.2535 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0804 -0.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 1.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 1 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 1 2 0 0 0 2 8 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD05664206 > ALDRICH > 519502 > - > - > - > - > 16272363 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.3027 0.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1282 0.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 -0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 -0.6170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0454 -0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -0.5441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 -0.1330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -1.3662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1098 1.3662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 1 5 2 0 5 6 1 0 6 7 1 0 6 8 2 0 1 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00052593 > ALDRICH > 632813 > - > - > - > - > 16272363 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.2229 0.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0483 0.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3012 -0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6341 -0.6170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0344 -0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7489 -0.5441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4608 -0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7489 -1.3662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4608 1.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 1 5 2 0 5 6 1 0 6 7 1 0 6 8 2 0 2 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00027395 > ALDRICH > 633046 > - > - > - > - > 16272363 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.3027 0.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1282 0.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 -0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 -0.6170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0454 -0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -0.5441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 -0.1330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -1.3662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1098 1.3662 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 1 5 2 0 5 6 1 0 6 7 1 0 6 8 2 0 1 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00052291 > ALDRICH > 633011 > - > - > - > - > 16272363 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0799 0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.3377 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2549 0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8618 -0.1068 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0368 -0.1068 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0368 0.7182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0368 -0.9318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8618 -0.1068 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 1 2 0 0 0 3 6 1 0 0 0 5 7 1 0 0 0 7 8 2 0 0 0 7 9 2 0 0 0 7 10 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00084909 > ALDRICH > 636223 > - > - > - > - > 16272363 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.0781 -0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9036 -0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1565 -0.8622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4894 -1.3476 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1791 -0.8622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8936 -1.2747 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.3344 0.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0767 1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1565 0.6356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 1 5 2 0 5 6 1 0 1 7 1 0 7 8 2 0 7 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD05865213 > ALDRICH > 638129 > - > - > - > - > 16272363 $$$$ 13 14 0 0 0 1 V2000 -0.6401 -0.0035 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8332 0.6818 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6470 -1.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0.5357 0.6818 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8228 2.0558 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0159 -0.0104 0.0000 S 0 0 0 0 0 0 0 0 0 0.5357 -2.0628 0.0000 C 0 0 0 0 0 0 0 0 0 1.7219 0.0035 0.0000 C 0 0 0 0 0 0 0 0 0 -4.2021 2.0628 0.0000 C 0 0 0 0 0 0 0 0 0 -4.2091 0.6922 0.0000 C 0 0 0 0 0 0 0 0 0 1.7288 -1.3775 0.0000 C 0 0 0 0 0 0 0 0 0 2.9220 -2.0628 0.0000 C 0 0 0 0 0 0 0 0 0 4.1047 -1.3775 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 2 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 4 8 2 0 0 0 5 9 1 0 0 0 6 10 1 0 0 0 7 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 8 11 1 0 0 0 9 10 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD02682003 > ALDRICH > 597325 > - > - > - > - > 16272363 $$$$ 7 7 0 0 0 1 V2000 0.1552 0.2241 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3172 0.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0.5793 -1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 1.0241 1.3379 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7483 -1.1586 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6000 -1.9621 0.0000 S 0 0 0 0 0 0 0 0 0 1.9138 2.4621 0.0000 N 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 2 0 0 0 3 6 1 0 0 0 4 7 3 0 0 0 5 6 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00151852 > ALDRICH > 597449 > - > - > - > - > 16272363 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -0.7625 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -0.0500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0167 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8417 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -1.2125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 3 2 0 0 0 0 8 3 1 0 0 0 0 9 10 1 0 0 0 0 10 8 2 0 0 0 0 11 7 1 0 0 0 0 12 9 1 0 0 0 0 5 6 2 0 0 0 0 9 11 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD05664340 > ALDRICH > 596663 > - > - > - > - > 16272363 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7249 -0.6058 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0575 -0.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3124 0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1374 0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3924 -0.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1708 1.3289 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5955 -0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3924 -0.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5955 -1.3289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 3 6 1 0 2 7 1 0 7 8 1 0 7 9 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00043888 > ALDRICH > 586994 > - > - > - > - > 16272363 $$$$ 9 9 0 0 0 1 V2000 -0.7222 0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0.3450 -0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7093 1.6733 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7862 -0.1935 0.0000 S 0 0 0 0 0 0 0 0 0 1.4219 0.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0.3385 -1.4348 0.0000 O 0 0 0 0 0 0 0 0 0 -2.8534 1.6798 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8534 0.4385 0.0000 C 0 0 0 0 0 0 0 0 0 2.4891 -0.2031 0.0000 Br 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 2 0 0 0 3 7 1 0 0 0 4 8 1 0 0 0 5 9 1 0 0 0 7 8 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD02677721 > ALDRICH > 595594 > - > - > - > - > 16272363 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 6.2573 -6.7573 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9247 -6.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6698 -5.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8448 -5.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5898 -6.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6392 -6.6848 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8051 -6.5272 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1547 -4.8202 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.1901 -5.9768 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6316 -7.3359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9770 -4.9030 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.8210 -4.0630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 5 7 1 0 0 0 0 1 2 1 0 0 0 0 3 8 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 8 11 1 0 0 0 0 8 12 2 0 0 0 0 M CHG 4 7 1 8 1 9 -1 11 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00100126 > ALDRICH > 521620 > - > - > - > - > 16272363 $$$$ 9 9 0 0 0 1 V2000 -1.1621 -0.2483 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0034 -1.0655 0.0000 S 0 0 0 0 0 0 0 0 0 -0.7241 1.1345 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5069 -0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 1.1655 -0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0.7379 1.1345 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5793 0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 2.5310 -0.6172 0.0000 C 0 0 0 0 0 0 0 0 0 3.5517 0.3862 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 3 6 1 0 0 0 4 7 1 0 0 0 5 8 1 0 0 0 8 9 2 0 0 0 5 6 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00143457 > ALDRICH > 492809 > - > - > - > - > 16272363 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.3572 -0.2585 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3102 0.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0553 1.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7697 1.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0247 0.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0247 -0.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7391 0.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7391 -0.1861 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0247 -1.0111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 6 2 1 0 7 6 1 0 8 5 1 0 6 9 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00014528 > ALDRICH > 329738 > - > - > - > - > 16272363 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.0717 -0.6535 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4043 -0.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6592 0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4842 0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7391 -0.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3102 -0.5811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0247 -0.1686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7391 -0.5811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0247 0.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 6 2 1 0 7 6 1 0 8 7 1 0 7 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00010853 > ALDRICH > 283460 > - > - > - > - > 16272363 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.2308 -1.6715 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5634 -1.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8183 -0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6433 -0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8983 -1.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3351 0.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4899 0.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0733 0.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8983 0.8465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0733 1.6715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 0.9957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9024 -0.4513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 3 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 8 10 2 0 6 11 1 0 7 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00014535 > ALDRICH > 467987 > - > - > - > - > 16272363 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.7892 -1.3021 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1217 -0.8171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3767 -0.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2017 -0.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4566 -0.8171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6629 -1.0721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1082 0.6349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9717 0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4566 1.3021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3073 -0.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 2 6 2 0 3 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00005480 > ALDRICH > A16602 > - > - > - > - > 16272363 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -0.4130 0.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6676 -0.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -0.6349 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6673 -0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4493 -0.4047 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4493 -0.4033 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 1 1 0 2 6 1 0 4 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00005423 > ALDRICH > D75807 > - > - > - > - > 16272363 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.4830 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9046 0.0721 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2312 0.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5727 0.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3083 1.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4797 -0.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2917 0.1583 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 4 5 2 0 0 0 0 4 2 1 0 0 0 0 3 6 1 0 0 0 0 2 3 1 0 0 0 0 6 7 1 0 0 0 0 3 1 2 0 0 0 0 6 8 2 0 0 0 0 1 5 1 0 0 0 0 4 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD02093967 > ALDRICH > 579637 > - > - > - > - > 16272363 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0624 0.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3036 1.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1285 1.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3971 0.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7382 -0.2146 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3479 -0.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7103 0.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6826 -0.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3971 0.1727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6826 -1.0620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 1 1 0 6 1 1 0 7 6 2 0 8 7 1 0 9 8 1 0 8 10 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00005455 > ALDRICH > 130583 > - > - > - > - > 16272363 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0184 1.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8439 1.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0968 0.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4297 -0.2598 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7611 0.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0467 -0.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6678 0.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3823 -0.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0968 0.2256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3823 -1.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 1 5 2 0 6 5 1 0 7 6 1 0 8 7 1 0 9 8 1 0 8 10 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00047093 > ALDRICH > 595535 > - > - > - > - > 16272363 $$$$ 6 6 0 0 0 0 0 0 0 0 1 V2000 -0.3909 -0.6348 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2765 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0216 0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8034 0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0584 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0584 -0.4039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 1 1 0 2 6 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00074876 > ALDRICH > 322628 > - > - > - > - > 16272363 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 5.4010 -6.9773 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0685 -6.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8051 -5.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9926 -5.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7336 -6.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8664 -6.7443 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.0476 -7.5506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4747 -6.1817 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 2 6 1 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 G 6 2 NO2 M CHG 2 6 1 8 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 6 7 8 M SBL 1 1 4 M SDI 1 4 6.5300 -6.8500 6.6500 -6.4500 M SMT 1 NO2 M SBV 1 4 -0.8000 0.2600 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00005425 > ALDRICH > N27004 > - > - > - > - > 16272363 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.3015 -0.8410 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 -0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 0.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 0.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9689 -0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1745 0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 0.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2544 0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9689 0.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 6 3 1 0 7 6 1 0 8 7 1 0 9 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00143179 > ALDRICH > 510424 > - > - > - > - > 16272363 $$$$ 20 22 0 0 0 0 0 0 0 0 1 V2000 0.0167 -0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 0.4625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7292 0.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 0.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6833 -0.8417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 0.2333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8583 0.3625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4125 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4458 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5292 0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4458 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2708 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 11 1 0 0 0 0 7 10 1 0 0 0 0 8 7 1 0 0 0 0 9 6 1 0 0 0 0 10 4 2 0 0 0 0 11 3 2 0 0 0 0 12 1 2 0 0 0 0 13 5 1 0 0 0 0 14 8 1 0 0 0 0 15 9 1 0 0 0 0 16 6 2 0 0 0 0 17 7 2 0 0 0 0 18 12 1 0 0 0 0 19 16 1 0 0 0 0 20 17 1 0 0 0 0 13 18 2 0 0 0 0 15 19 2 0 0 0 0 14 20 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03701587 > ALDRICH > 568457 > - > - > - > - > 16272363 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.7849 -0.6550 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1175 -0.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3724 0.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1974 0.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4524 -0.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 -0.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3114 -0.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0259 -0.5825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7404 -0.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4524 -0.5811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3114 0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 6 2 1 0 7 6 1 0 8 7 1 0 9 8 1 0 9 10 1 0 7 11 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00005457 > ALDRICH > 257648 > - > - > - > - > 16272363 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.5936 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -0.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 0.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 0.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3819 -0.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 1.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 -0.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3819 -0.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 -1.3433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 3 6 1 0 7 2 1 0 8 7 1 0 7 9 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00005443 > ALDRICH > 249645 > - > - > - > - > 16272363 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 5.6226 -6.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7976 -6.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0351 -5.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6226 -4.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7976 -4.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3851 -5.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0337 -4.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3871 -7.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5583 -7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3007 -7.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9703 -8.3928 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6416 -7.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8583 -4.2583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6 2 1 0 0 0 0 4 7 1 0 0 0 0 2 8 1 0 0 0 0 8 9 1 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 8 2 0 0 0 0 5 6 2 0 0 0 0 7 13 3 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00115000 > ALDRICH > 646520 > - > - > - > - > 16272363 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -1.6806 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6806 -0.4125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8960 -0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8960 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 -0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6806 -0.4125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6806 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 1 2 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 6 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00041214 > ALDRICH > 472913 > - > - > - > - > 16272363 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -0.6316 1.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1934 1.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8866 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2191 -0.2599 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4483 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2332 1.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9806 0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6496 -0.2587 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3155 0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0582 1.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6010 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3155 0.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6010 -1.0096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 3 4 1 0 4 5 1 0 5 2 2 0 2 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 6 1 0 11 3 1 0 12 11 1 0 11 13 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD06802085 > ALDRICH > 657824 > - > - > - > - > 16272363 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 3.7152 -5.1022 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3827 -4.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1277 -3.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3027 -3.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0478 -4.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5402 -3.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -2.4062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3485 -3.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7379 -3.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 3 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 1 2 1 0 0 0 0 8 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD06203810 > ALDRICH > 645559 > - > - > - > - > 16272363 $$$$ 15 17 0 0 0 0 0 0 0 0 1 V2000 -0.4125 0.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.3579 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4493 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4493 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1168 0.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7842 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5293 -0.9116 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7043 -0.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7043 -0.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5293 -0.9116 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7842 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1168 0.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 2 2 0 0 0 3 6 1 0 0 0 5 7 1 0 0 0 6 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 6 2 0 0 0 7 12 2 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 7 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD01927451 > ALDRICH > 651389 > - > - > - > - > 16272363 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.8250 0.5993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.5993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0799 -0.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.6703 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2549 -0.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3082 1.2644 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0368 -0.4394 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8618 -0.4394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0368 -1.2644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8618 -0.4394 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0368 0.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 2 2 0 0 0 1 6 1 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 7 9 2 0 0 0 3 10 1 0 0 0 7 11 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00177161 > ALDRICH > 651893 > - > - > - > - > 16272363 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.9948 0.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1698 0.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2497 -0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5823 -0.6807 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0852 -0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4780 1.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8671 -0.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4780 0.1003 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0380 -1.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 2 2 0 0 0 1 6 1 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 7 9 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD02258421 > ALDRICH > 652040 > - > - > - > - > 16272363 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.2839 0.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1089 0.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3639 -0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6964 -0.6807 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7529 -0.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1993 1.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3639 0.1003 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9238 -1.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 1 2 0 5 6 1 0 1 7 1 0 6 8 1 0 6 9 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00130091 > ALDRICH > 654809 > - > - > - > - > 16272363 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -0.7150 -2.0433 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 -1.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3244 -0.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1492 -0.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3906 -1.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1531 -0.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9781 -0.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3906 0.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9781 1.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1531 1.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2594 0.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3892 2.0433 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 1 1 0 0 0 3 6 1 0 0 0 6 7 2 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 6 1 0 0 0 9 12 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD06740168 > ALDRICH > 650080 > - > - > - > - > 16272363 $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 1.7213 1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9367 1.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3236 0.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4951 0.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2798 -0.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8929 0.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4507 -0.9340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1158 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0551 -1.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8977 -0.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2326 -1.1881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8397 -1.4841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1527 0.6137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9777 0.6137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2326 -0.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5652 -0.6559 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 4 8 1 0 8 9 2 0 8 10 1 0 7 11 1 0 7 12 2 0 10 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00101021 > ALDRICH > 655287 > - > - > - > - > 16272363 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.7827 -0.7002 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1237 -0.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3921 0.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2170 0.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4584 -0.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6625 -0.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0854 1.2455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8472 -1.2455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4584 -0.4410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6643 -0.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 1 1 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 6 8 2 0 0 0 6 9 1 0 0 0 9 10 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 9 10 M SBL 1 1 9 M SMT 1 OCH3 M SBV 1 9 -5.2365 9.0156 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00156156 > ALDRICH > 650633 > - > - > - > - > 16272363 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.4125 0.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.3481 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4493 -0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4493 -0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6203 -0.9214 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6203 -0.9214 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.0603 0.4329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0603 0.4329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 2 2 0 0 0 3 6 1 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 6 9 1 0 0 0 6 10 2 0 0 0 7 11 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD06654886 > ALDRICH > 662941 > - > - > - > - > 16272363 $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 -0.4125 0.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 -0.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2518 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 -0.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4493 -1.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4493 -1.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0603 -0.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0603 -0.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6203 -1.8251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6203 -1.8251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9269 0.6628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7433 1.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7433 1.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9269 0.6628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 2 2 0 0 0 5 6 1 0 0 0 3 7 1 0 0 0 7 8 1 0 0 0 6 9 1 0 0 0 6 10 2 0 0 0 7 11 2 0 0 0 2 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 1 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD08276806 > ALDRICH > 660477 > - > - > - > - > 16272363 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 6.6033 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3365 -2.3699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5094 -2.3832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2693 -3.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9418 -3.6456 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8390 -1.7120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6363 -0.9067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8835 -0.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1549 -0.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9806 -1.7439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 2 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 3 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD08276807 > ALDRICH > 660485 > - > - > - > - > 16272363 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.8160 0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4035 -0.6348 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0709 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8555 -0.4048 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0486 -0.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8555 -0.5763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 1 2 0 5 6 1 0 3 7 1 0 7 8 3 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 7 8 M SBL 1 1 7 M SMT 1 CN M SBV 1 7 -0.7846 0.2549 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD09265032 > ALDRICH > 665983 > - > - > - > - > 16272363 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -2.4969 2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0969 2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2823 1.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7969 1.1142 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3115 1.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8509 1.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7428 1.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4483 2.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3185 1.7064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 3 6 1 0 0 0 0 5 7 1 0 0 0 0 2 8 1 0 0 0 0 7 9 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD02093897 > ALDRICH > 668354 > - > - > - > - > 16272363 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 0.2805 -0.0733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5445 -0.0733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7995 -0.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 -1.3429 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5354 -0.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3173 -1.1120 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.5814 -1.1120 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7637 0.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4293 1.3429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5814 0.5059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 1 2 0 5 6 1 0 3 7 1 0 1 8 1 0 8 9 2 0 8 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00082908 > ALDRICH > 654795 > - > - > - > - > 16272363 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 -2.0700 0.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 0.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3249 -0.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6575 -1.1373 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 -0.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5305 0.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 0.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8984 -1.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6129 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6129 0.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8984 0.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5305 1.3669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5775 -1.3669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -1.1038 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 3 4 1 0 4 5 1 0 5 2 2 0 6 2 1 0 7 6 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 7 2 0 6 13 2 0 5 14 1 0 10 15 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03118409 > ALDRICH > 649406 > - > - > - > - > 16272363 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -1.6562 -1.4598 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9888 -0.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2437 -0.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0687 -0.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3237 -0.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5293 0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1852 -0.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8997 0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8997 1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1852 1.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5293 1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6117 -0.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3237 -0.5999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 6 3 1 0 7 6 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 6 1 0 8 12 1 0 12 13 3 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 12 13 M SBL 1 1 13 M SMT 1 CN M SBV 1 13 -0.7120 0.4111 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD06409245 > ALDRICH > 646539 > - > - > - > - > 16272363 $$$$ 17 19 0 0 0 0 0 0 0 0 1 V2000 -0.5958 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 -0.0458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 1.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9083 1.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9125 -0.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 -0.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7417 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7417 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 9 1 0 0 0 0 9 3 1 0 0 0 0 10 6 2 0 0 0 0 11 7 2 0 0 0 0 12 7 1 0 0 0 0 13 12 1 0 0 0 0 14 6 1 0 0 0 0 15 10 1 0 0 0 0 16 14 2 0 0 0 0 17 15 2 0 0 0 0 5 4 2 0 0 0 0 10 8 1 0 0 0 0 16 17 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03701527 > ALDRICH > 555746 > - > - > - > - > 16272363 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 5.6226 -6.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7976 -6.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0351 -5.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6226 -4.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7976 -4.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3851 -5.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0337 -4.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6226 -3.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8612 -4.2770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 -4.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3871 -7.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5583 -7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3007 -7.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9703 -8.3928 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6416 -7.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 1 2 2 0 0 0 0 9 10 1 0 0 0 0 2 11 1 0 0 0 0 11 12 1 0 0 0 0 1 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 2 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 11 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD05863312 > ALDRICH > 646512 > - > - > - > - > 16272363 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -0.6893 0.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1357 0.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9442 -0.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2768 -0.9673 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3906 -0.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1725 0.9673 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.1725 -0.7365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 2 2 0 0 0 1 6 1 0 0 0 5 7 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD04116367 > ALDRICH > 648728 > - > - > - > - > 16272363 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -0.3909 -0.9673 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2765 -0.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0216 0.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8034 0.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0584 -0.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0584 -0.7365 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5048 0.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 1 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00130083 > ALDRICH > 648760 > - > - > - > - > 16272363 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -0.7150 -2.0433 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 -1.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3244 -0.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1492 -0.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3906 -1.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1531 -0.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9781 -0.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3906 0.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9781 1.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1531 1.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2594 0.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3892 2.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 1 1 0 0 0 3 6 1 0 0 0 6 7 2 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 6 1 0 0 0 9 12 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD06798133 > ALDRICH > 650072 > - > - > - > - > 16272363 $$$$ 20 21 0 0 0 0 0 0 0 0 1 V2000 0.1622 -0.0632 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8212 0.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5528 1.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2721 1.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5135 0.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2943 0.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6073 0.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0088 0.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7232 0.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7232 -0.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0088 -1.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2943 -0.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7921 -0.6085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2087 0.7532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0302 1.8825 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0308 0.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4352 0.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4352 -1.4715 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.4352 -0.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7232 -1.8825 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 1 1 0 0 0 5 6 1 0 0 0 2 7 1 0 0 0 6 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 6 2 0 0 0 7 13 2 0 0 0 7 14 1 0 0 0 3 15 1 0 0 0 14 16 1 0 0 0 16 17 1 0 0 0 10 18 1 0 0 0 18 19 2 0 0 0 18 20 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 18 19 20 M SBL 1 1 19 M SMT 1 ^NO2 M SBV 1 19 -5.9284 3.3700 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00428274 > ALDRICH > 649392 > - > - > - > - > 16272363 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -0.3125 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -0.0500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0208 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 -0.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7417 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4542 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7417 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4542 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 0.4333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 7 2 0 0 0 0 9 6 1 0 0 0 0 10 6 2 0 0 0 0 11 10 1 0 0 0 0 12 9 2 0 0 0 0 13 12 1 0 0 0 0 14 7 1 0 0 0 0 5 4 2 0 0 0 0 13 11 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD01151752 > ALDRICH > 565938 > - > - > - > - > 16272363 $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 0.6782 -0.1389 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3372 0.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0688 1.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2439 1.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7783 0.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1233 0.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4927 0.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2072 0.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2072 -0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4927 -1.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7783 -0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3081 -0.6842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9192 -1.1361 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9192 0.1203 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1251 0.3333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 1 1 0 0 0 5 6 1 0 0 0 2 7 1 0 0 0 6 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 6 2 0 0 0 7 13 2 0 0 0 10 14 1 0 0 0 7 15 1 0 0 0 15 16 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 15 16 M SBL 1 1 16 M SMT 1 NHNH2 M SBV 1 16 -3.9045 4.1198 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD06655315 > ALDRICH > 649422 > - > - > - > - > 16272363 $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 0.7754 -0.1389 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4344 0.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 1.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3411 1.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0997 0.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 0.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2206 0.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3955 0.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 0.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 -0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3955 -1.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 -0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4053 -0.6842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 0.6774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 -1.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8220 -0.7251 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 1 1 0 0 0 5 6 1 0 0 0 2 7 1 0 0 0 6 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 6 2 0 0 0 7 13 2 0 0 0 7 14 1 0 0 0 10 16 1 0 0 0 15 16 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 15 16 M SBL 1 1 16 M SMT 1 CH3^S M SBV 1 16 -5.3152 4.1164 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD06801936 > ALDRICH > 649414 > - > - > - > - > 16272363 $$$$ 18 19 0 0 0 0 0 0 0 0 1 V2000 0.1622 -0.4735 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8212 0.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5528 0.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2721 0.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5135 0.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2943 -0.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6073 -0.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0088 0.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7232 -0.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7232 -1.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0088 -1.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2943 -1.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7921 -1.0189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2087 0.3428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4352 -1.4708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0302 1.4722 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0308 0.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4352 -0.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 1 1 0 0 0 5 6 1 0 0 0 2 7 1 0 0 0 6 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 6 2 0 0 0 7 13 2 0 0 0 7 14 1 0 0 0 10 15 1 0 0 0 3 16 1 0 0 0 14 17 1 0 0 0 17 18 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD06336766 > ALDRICH > 649384 > - > - > - > - > 16272363 $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 0.7697 1.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0553 1.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3102 0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.0522 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0247 0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0247 0.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7391 0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4536 0.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4536 -0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7391 -1.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0247 -0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1656 -1.2159 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.7391 0.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7391 -0.8019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4536 0.4327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1656 0.0216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 1 2 0 0 0 6 3 1 0 0 0 7 6 1 0 0 0 8 7 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 6 2 0 0 0 9 12 1 0 0 0 13 5 1 0 0 0 13 14 2 0 0 0 13 15 1 0 0 0 15 16 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 15 16 M SBL 1 1 16 M SMT 1 NHNH2 M SBV 1 16 -5.5197 4.8525 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD07369733 > ALDRICH > 649430 > - > - > - > - > 16272363 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.4182 -0.6798 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0771 -0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8087 0.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0161 0.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2575 -0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2862 1.2659 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8633 -0.4240 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0383 -0.4409 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0383 -1.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0383 0.3841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8633 -0.4409 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 1 1 0 0 0 3 6 1 0 0 0 2 7 1 0 0 0 5 8 1 0 0 0 8 9 2 0 0 0 8 10 2 0 0 0 8 11 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00052092 > ALDRICH > 650285 > - > - > - > - > 16272363 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -0.3847 -0.9729 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2743 -0.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0059 0.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 0.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0604 -0.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4834 0.9729 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0604 -0.7171 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 1 1 0 0 0 3 6 1 0 0 0 2 7 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00043890 > ALDRICH > 650293 > - > - > - > - > 16272363 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 6.1534 -3.6531 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6326 -3.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4374 -2.7248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -2.7248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6620 -3.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0941 -3.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2044 -3.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5745 -3.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0549 -3.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0549 -4.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5745 -4.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0941 -4.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3388 -4.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6418 -3.0594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5371 -4.3784 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 5 6 1 0 0 0 0 2 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 6 2 0 0 0 0 7 13 2 0 0 0 0 7 14 1 0 0 0 0 10 15 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD01316570 > ALDRICH > 649341 > - > - > - > - > 16272363 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 5.4358 -7.0306 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1032 -6.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8483 -5.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0233 -5.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7684 -6.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8150 -6.9574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5470 -6.9324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 2 6 1 0 0 0 0 1 2 1 0 0 0 0 6 7 3 0 0 0 0 G 6 2 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 6 7 M SBL 1 1 5 M SDI 1 4 6.4700 -6.9900 6.6700 -6.6300 M SMT 1 CN M SBV 1 5 -0.7100 0.4100 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00005416 > ALDRICH > 154385 > - > - > - > - > 16272363 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.0498 1.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8748 1.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1355 0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4717 -0.2475 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 -0.1702 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.1993 0.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -0.2001 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -0.2001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 0.6249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -1.0251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6 1 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 6 1 0 3 5 1 0 6 7 1 0 7 8 1 0 7 9 2 0 7 10 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00067990 > ALDRICH > 542741 > - > - > - > - > 16272363 $$$$ 12 13 0 0 0 1 V2000 1.2207 -0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0069 -0.9724 0.0000 C 0 0 0 0 0 0 0 0 0 1.4276 1.1862 0.0000 C 0 0 0 0 0 0 0 0 0 2.5241 -0.8655 0.0000 S 0 0 0 0 0 0 0 0 0 -1.2345 -0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0069 -2.4069 0.0000 O 0 0 0 0 0 0 0 0 0 2.8207 1.4241 0.0000 C 0 0 0 0 0 0 0 0 0 3.5345 0.1966 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3690 1.1448 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5724 -0.8241 0.0000 S 0 0 0 0 0 0 0 0 0 -2.8241 1.4414 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5069 0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 2 0 0 0 3 7 1 0 0 0 4 8 1 0 0 0 5 9 2 0 0 0 5 10 1 0 0 0 9 11 1 0 0 0 10 12 1 0 0 0 7 8 2 0 0 0 11 12 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00052096 > ALDRICH > 449377 > - > - > - > - > 16272363 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 5.9582 -6.6474 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6215 -6.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3623 -5.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5498 -5.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2908 -6.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4192 -6.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0254 -5.8500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6026 -7.2221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5038 -6.4179 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8954 -5.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3283 -7.2207 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 6 8 2 0 0 0 0 5 9 1 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 G 9 5 NO2 M CHG 2 9 1 11 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 9 10 11 M SBL 1 1 7 M SDI 1 4 4.6900 -6.1300 4.8200 -6.5200 M SMT 1 NO2 M SBV 1 7 0.7800 0.2500 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00005433 > ALDRICH > 302295 > - > - > - > - > 16272363 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 2.1625 -6.6556 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4950 -6.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -5.3860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -5.3860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8299 -6.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0842 -4.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 -5.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -4.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8958 -5.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -5.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7083 -4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3125 -5.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 6 7 1 0 0 0 0 2 3 2 0 0 0 0 7 8 1 0 0 0 0 3 4 1 0 0 0 0 8 9 1 0 0 0 0 4 5 2 0 0 0 0 9 10 1 0 0 0 0 5 1 1 0 0 0 0 10 11 1 0 0 0 0 4 6 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00085281 > ALDRICH > 424285 > - > - > - > - > 16272363 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.9673 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 -0.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 -0.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8957 0.9673 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3819 -0.8949 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8957 0.9673 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3819 -0.8949 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 3 6 1 0 2 7 1 0 4 8 1 0 5 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00005422 > ALDRICH > 131873 > - > - > - > - > 16272363 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.6348 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3819 -0.5623 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.3819 -0.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 5 6 1 0 2 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00130103 > ALDRICH > 515485 > - > - > - > - > 16272363 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.1833 -0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 -0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6250 -0.2875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -0.1583 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 -2.2958 0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 3 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 3 2 0 0 0 0 8 7 1 0 0 0 0 9 5 1 0 0 0 0 10 5 1 0 0 0 0 11 5 1 0 0 0 0 6 8 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03427125 > ALDRICH > 552321 > - > - > - > - > 16272363 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -1.0717 -0.2599 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4043 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6592 1.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4842 1.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7391 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3102 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0247 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7391 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3102 -1.0096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7391 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 6 2 1 0 7 6 1 0 8 7 1 0 6 9 2 0 8 10 1 0 10 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00005427 > ALDRICH > C121207 > - > - > - > - > 16272363 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 0.0167 -0.3500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4667 -0.1042 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 1.4625 -0.0542 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 -2.0500 0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0458 0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4667 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2583 -0.2667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 -0.3167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 7 1 0 0 0 0 11 6 1 0 0 0 0 12 7 1 0 0 0 0 13 6 1 0 0 0 0 4 5 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03093971 > ALDRICH > 540412 > - > - > - > - > 16272363 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -0.4174 0.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6686 -0.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0011 -0.6357 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6662 -0.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4076 0.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4493 -0.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4493 -0.3980 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 1 1 0 2 6 1 0 4 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00022492 > ALDRICH > 460532 > - > - > - > - > 16272363 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.1357 -1.3798 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5317 -0.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2768 -0.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5482 -0.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8031 -0.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 0.5548 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3136 -1.1490 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.5850 -1.1490 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5850 0.5548 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 1.3798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -0.2702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 3 6 1 0 2 7 1 0 5 8 1 0 6 9 1 0 6 10 2 0 6 11 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00051665 > ALDRICH > 544280 > - > - > - > - > 16272363 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -0.6871 1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5121 1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4322 0.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0996 -0.0405 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7671 0.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3381 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3381 -0.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0526 -1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7671 -0.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7671 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0526 0.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 3 4 1 0 4 5 1 0 5 2 2 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 6 1 0 6 3 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00130080 > ALDRICH > 520578 > - > - > - > - > 16272363 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.3572 -0.2585 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3102 0.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0553 1.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7697 1.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0247 0.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7391 -0.1861 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0247 -0.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7391 0.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0247 -1.0111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 5 6 1 0 7 2 1 0 8 7 1 0 7 9 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00005444 > ALDRICH > 247073 > - > - > - > - > 16272363 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -0.4208 -0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 -0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6792 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 -1.3625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6583 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -2.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6583 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6583 2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -0.8083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 7 2 0 0 0 0 9 6 2 0 0 0 0 10 6 1 0 0 0 0 11 10 2 0 0 0 0 12 9 1 0 0 0 0 13 11 1 0 0 0 0 14 7 1 0 0 0 0 4 5 1 0 0 0 0 13 12 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03701610 > ALDRICH > 569526 > - > - > - > - > 16272363 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 -0.6580 0.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 0.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7379 -0.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8787 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 -0.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3114 -0.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3114 -1.6284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0565 0.8034 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0565 1.6284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0565 -0.0216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8815 0.8034 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0259 -0.3937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7379 -0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 1 2 0 6 5 1 0 6 7 2 0 1 8 1 0 8 9 2 0 8 10 2 0 8 11 1 0 6 12 1 0 12 13 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 12 13 M SBL 1 1 12 M SMT 1 OCH3 M SBV 1 12 -0.7145 -0.4125 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00068160 > ALDRICH > 540501 > - > - > - > - > 16272363 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 3.8632 -6.6724 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5307 -6.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2757 -5.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4507 -5.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1958 -6.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2451 -6.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2451 -7.4222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9596 -6.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6717 -6.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3837 -6.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0958 -6.5986 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 G 8 6 CH2CH2CH2Cl M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 8 9 10 11 M SBL 1 1 5 M SDI 1 4 5.8200 -6.5000 5.6100 -6.1400 M SMT 1 CH2CH2CH2Cl M SBV 1 5 -0.7100 -0.4100 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00005447 > ALDRICH > 125016 > - > - > - > - > 16272363 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 5.0847 -3.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8061 -2.3227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8936 -2.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6090 -3.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3429 -3.7264 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6741 -3.5324 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0153 -3.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4259 -3.1897 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 1 6 1 0 0 0 0 7 4 1 0 0 0 0 8 7 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00009764 > ALDRICH > 241822 > - > - > - > - > 16272363 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.2298 -1.2535 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4377 -0.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1827 0.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6423 0.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8972 -0.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1521 -1.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6117 -1.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8972 0.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6117 0.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8972 1.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 6 2 1 0 7 5 1 0 8 3 1 0 9 8 1 0 8 10 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00009763 > ALDRICH > 225797 > - > - > - > - > 16272363 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.0705 -0.2787 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 0.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 0.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7379 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3114 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0259 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0259 1.0284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3114 -1.0284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7379 -0.6159 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7379 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0259 -1.0270 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 6 2 1 0 7 6 2 0 7 8 1 0 6 9 1 0 7 10 1 0 10 11 2 0 10 12 1 0 M CHG 2 10 1 12 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 10 11 12 M SBL 1 1 10 M SMT 1 NO2 M SBV 1 10 -2.7432 1.3484 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00069434 > ALDRICH > 387584 > - > - > - > - > 16272363 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0717 -0.2787 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4043 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6592 0.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4842 0.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7391 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3102 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0247 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3102 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7391 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0247 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 2 6 1 0 6 7 1 0 6 8 2 0 7 9 1 0 7 10 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00005441 > ALDRICH > 222275 > - > - > - > - > 16272363 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.2599 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3819 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0964 0.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3819 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0964 0.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3819 -1.0096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3819 -1.0096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 6 2 1 0 7 6 1 0 8 5 1 0 9 8 1 0 8 10 2 0 6 11 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00016896 > ALDRICH > 405191 > - > - > - > - > 16272363 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.3016 0.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1266 0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3819 -0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7147 -0.6169 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1109 1.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 -0.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3819 -0.1323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 -1.3669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 1 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 1 6 1 0 7 5 1 0 8 7 1 0 7 9 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00005438 > ALDRICH > 248207 > - > - > - > - > 16272363 $$$$ 6 6 0 0 0 0 0 0 0 0 1 V2000 0.2787 -0.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 0.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7874 0.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -0.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3971 -0.6383 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 -0.4327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 1 6 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00005479 > ALDRICH > 105449 > - > - > - > - > 16272363 $$$$ 6 6 0 0 0 0 0 0 0 0 1 V2000 -0.0884 -0.9752 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5669 -0.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2926 0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5321 0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7676 -0.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7676 0.9752 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 3 6 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00043887 > ALDRICH > 341061 > - > - > - > - > 16272363 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -0.4233 0.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 -0.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0067 -0.6376 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 -0.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4016 0.6376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3818 -0.5559 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.3818 -0.5745 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 1 1 0 4 6 1 0 2 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00005420 > ALDRICH > 108472 > - > - > - > - > 16272363 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7162 0.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1088 0.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9712 0.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3066 -0.3437 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 0.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7561 -0.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1401 -0.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7561 0.4325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3093 -0.9254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 3 4 1 0 4 5 1 0 2 5 2 0 3 6 1 0 5 7 1 0 7 8 2 0 7 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00005434 > ALDRICH > M84410 > FLUKA > 69380 > - > - > 16272363 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.3901 -0.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2773 0.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9448 -0.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6898 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1352 -1.1261 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2773 0.9685 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5477 0.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1023 0.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2773 1.7935 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1747 -1.7935 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1747 -0.0865 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 1 5 1 0 6 7 2 0 6 8 2 0 6 9 1 0 2 6 1 0 4 10 1 0 1 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00767573 > ALDRICH > 542768 > - > - > - > - > 16272363 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.5438 0.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3688 0.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6238 -0.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9563 -0.5925 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2889 -0.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8521 1.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0606 1.3422 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4256 -0.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4256 -1.3422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1401 -0.1076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8521 -0.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 1 2 0 0 0 2 6 1 0 0 0 1 7 1 0 0 0 8 5 1 0 0 0 8 9 2 0 0 0 8 10 1 0 0 0 10 11 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 10 11 M SBL 1 1 10 M SMT 1 OCH3 M SBV 1 10 -5.1575 3.7966 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00051822 > ALDRICH > 546658 > - > - > - > - > 16272363 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.0716 0.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7539 0.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0068 -0.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3397 -0.5065 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3288 -0.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7886 -0.2756 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0766 -0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7886 -0.7623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 1 5 2 0 0 0 0 3 6 1 0 0 0 0 5 7 1 0 0 0 0 1 2 1 0 0 0 0 7 8 3 0 0 0 0 G 7 5 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 7 8 M SBL 1 1 6 M SMT 1 CN M SBV 1 6 -0.7500 0.3300 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD04974080 > ALDRICH > 574430 > - > - > - > - > 16272363 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 5.5668 -6.2346 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2355 -5.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9710 -4.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1585 -4.9655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9022 -5.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1159 -6.0069 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.0328 -6.0032 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 7.2828 -5.2115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7370 -6.0282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1120 -6.8073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 5 6 1 0 0 0 0 2 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00052584 > ALDRICH > 542695 > - > - > - > - > 16272363 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -1.4295 -0.3992 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4295 -1.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7153 -1.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2242 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4287 0.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7141 -1.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4295 -1.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4295 -0.3992 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4072 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0107 0.3665 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6567 0.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4018 1.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4232 1.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6782 0.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 1 5 1 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 10 1 0 5 14 1 0 9 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00134190 > ALDRICH > 361402 > - > - > - > - > 16272363 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 3.6372 -5.2489 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9698 -4.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2330 -3.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0455 -3.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3005 -4.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0908 -5.0181 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.1717 -5.0143 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.5637 -4.4576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9948 -5.8206 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 5 6 1 0 0 0 0 2 7 1 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 G 7 2 NO2 M CHG 2 7 1 9 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 7 8 9 M SBL 1 1 5 M SDI 1 4 2.3600 -4.7200 2.5000 -5.1200 M SMT 1 NO2 M SBV 1 5 0.7900 0.2600 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00022493 > ALDRICH > 544531 > - > - > - > - > 16272363 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.3064 -0.2943 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3611 0.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1061 0.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7189 0.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9738 0.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6883 -0.2219 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9738 -0.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9738 -0.9752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6883 0.2623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 5 6 1 0 2 7 1 0 7 8 2 0 7 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00047090 > ALDRICH > 443239 > - > - > - > - > 16272363 $$$$ 19 21 0 0 0 0 0 0 0 0 1 V2000 -0.8042 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0167 0.3625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8042 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5167 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0167 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 1.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5167 1.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5167 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 1.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 0.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 -1.8542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 10 1 0 0 0 0 9 5 2 0 0 0 0 10 3 1 0 0 0 0 11 5 1 0 0 0 0 12 7 2 0 0 0 0 13 9 1 0 0 0 0 14 11 2 0 0 0 0 15 7 1 0 0 0 0 16 13 2 0 0 0 0 17 14 1 0 0 0 0 18 15 1 0 0 0 0 19 18 1 0 0 0 0 6 4 2 0 0 0 0 9 8 1 0 0 0 0 14 16 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03070538 > ALDRICH > 555738 > - > - > - > - > 16272363 $$$$ 8 8 0 0 0 1 V2000 0.2034 0.2552 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1724 0.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0.7345 -1.0621 0.0000 C 0 0 0 0 0 0 0 0 0 1.3138 1.1690 0.0000 S 0 0 0 0 0 0 0 0 0 -2.1828 -0.3897 0.0000 C 0 0 0 0 0 0 0 0 0 2.1724 -0.9690 0.0000 C 0 0 0 0 0 0 0 0 0 2.5310 0.3931 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5897 -0.0207 0.0000 N 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 3 6 1 0 0 0 4 7 1 0 0 0 5 8 1 0 0 0 6 7 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00051495 > ALDRICH > 423270 > - > - > - > - > 16272363 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.3756 0.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2011 0.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4540 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7869 -0.2792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1184 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4039 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3106 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7395 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4540 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4039 -1.0285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7395 1.0285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 1 5 2 0 6 5 1 0 7 6 1 0 8 7 1 0 9 8 1 0 10