16 18 0 0 0 0 0 0 0 0 1 V2000 2.1137 -0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1137 -0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6333 -0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1529 -0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1529 -0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6333 0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6726 -0.9333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1922 -0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1922 -0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6726 0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5431 0.1521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1904 -0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5431 -0.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 0.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 -0.9323 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7070 0.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 1 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 2 1 0 0 0 0 9 14 1 0 0 0 0 8 15 1 0 0 0 0 14 16 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD02049248 > A > 683728 > - > - > - > - $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 4.7012 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7012 -3.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7404 -3.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7404 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2601 -4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7797 -3.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7797 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2601 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2975 -3.9990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8142 -4.2969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1834 -2.8010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6638 -3.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 0 0 0 11 12 3 0 0 0 0 1 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00023938 > A > 673528 > - > - > - > - $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.0729 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.2361 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -1.2346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 5 1 0 0 0 10 11 1 0 0 0 2 12 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD06798120 > A > 647381 > - > - > - > - $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 1 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00079724 > A > 649279 > - > - > - > - $$$$ 12 13 0 0 0 1 V2000 0.1690 -0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1483 0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 1.5241 -1.1069 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8793 -1.6759 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5345 1.1069 0.0000 N 0 0 0 0 0 0 0 0 0 0.8724 1.6759 0.0000 C 0 0 0 0 0 0 0 0 0 2.5862 -0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2517 -1.2552 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5793 0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 2.2517 1.2552 0.0000 C 0 0 0 0 0 0 0 0 0 3.9621 -0.5379 0.0000 Cl 0 0 0 0 0 0 0 0 0 -3.9655 0.5379 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 2 0 0 0 2 5 2 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 4 8 1 0 0 0 5 9 1 0 0 0 6 10 2 0 0 0 7 11 1 0 0 0 9 12 1 0 0 0 7 10 1 0 0 0 8 9 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00051735 > A > 649260 > - > - > - > - $$$$ 19 20 0 0 0 0 0 0 0 0 1 V2000 5.9750 -5.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -6.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6895 -6.6871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4039 -6.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4039 -5.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6895 -5.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2605 -5.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5461 -5.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5461 -6.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2605 -6.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2605 -4.2150 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2605 -7.5093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9725 -7.9203 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.3836 -7.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5615 -8.6323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6845 -8.3314 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2734 -9.0434 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0956 -7.6194 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -8.5417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 2 1 0 0 0 0 7 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 3 4 2 0 0 0 0 16 19 1 0 0 0 0 G 16 13 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 16 17 18 19 M SBL 1 1 14 M SDI 1 4 6.3400 -8.3700 6.5500 -8.0100 M SMT 1 CF3 M SBV 1 14 -0.7100 0.4100 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD07369729 > A > 648507 > - > - > - > - $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -0.0014 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0014 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -0.8257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7158 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4288 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4288 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7158 -0.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1408 0.8235 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1408 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 1 6 2 0 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 2 10 1 0 8 11 1 0 4 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00041233 > A > 640484 > - > - > - > - $$$$ 18 19 0 0 0 0 0 0 0 0 1 V2000 6.3314 -5.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3314 -6.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0458 -6.5480 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7603 -6.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7603 -5.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0458 -4.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6169 -4.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9024 -5.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9024 -6.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6169 -6.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1904 -4.8994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4784 -5.3105 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.4784 -6.1326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4784 -4.4854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6534 -5.3105 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4333 -4.5083 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2333 -6.0208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -5.0917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 2 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 1 2 2 0 0 0 0 15 16 1 0 0 0 0 2 3 1 0 0 0 0 15 17 1 0 0 0 0 3 4 2 0 0 0 0 15 18 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD05865187 > A > 633445 > - > - > - > - $$$$ 18 18 0 0 0 0 0 0 0 0 1 V2000 8.1708 -6.4333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8833 -6.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5958 -6.4333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2750 -4.7292 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.2750 -5.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -5.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -6.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5625 -5.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0708 -4.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6875 -4.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 -7.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2750 -7.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5625 -4.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5625 -6.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2750 -8.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 -5.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -6.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -5.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 1 2 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 6 2 0 0 0 0 8 5 2 0 0 0 0 9 4 2 0 0 0 0 10 4 2 0 0 0 0 11 7 1 0 0 0 0 12 14 2 0 0 0 0 13 4 1 0 0 0 0 14 8 1 0 0 0 0 15 12 1 0 0 0 0 16 6 1 0 0 0 0 17 18 1 0 0 0 0 18 16 2 0 0 0 0 7 12 1 0 0 0 0 17 11 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00149482 > A > H58757 > F > 55110 > - > - $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 4.2949 -2.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2949 -3.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0093 -3.8063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7238 -3.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7238 -2.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0093 -2.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4342 -3.8063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1527 -3.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1527 -2.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4342 -2.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 -2.1479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5759 -1.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 1 11 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 11 12 1 0 0 0 0 G 11 1 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 11 12 M SBL 1 1 10 M SDI 1 4 3.9100 -2.1000 3.7000 -2.4600 M SMT 1 OCH3 M SBV 1 10 0.7200 -0.4200 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00090494 > A > 596140 > - > - > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 5.6917 -6.8417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -5.1917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -6.0333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4083 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -6.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4083 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -6.0292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 6 1 2 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 9 4 1 0 0 0 0 10 9 2 0 0 0 0 11 6 1 0 0 0 0 12 5 1 0 0 0 0 3 8 1 0 0 0 0 7 2 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD05664315 > A > 594164 > - > - > - > - $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 2 1 0 8 11 1 0 6 12 1 0 4 13 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00041442 > A > 586501 > - > - > - > - $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -0.3560 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -1.2346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 2 1 0 10 11 2 0 8 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD06200689 > A > 576255 > - > - > - > - $$$$ 12 13 0 0 0 1 V2000 -0.1002 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1002 -0.7197 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4321 1.5953 0.0000 C 0 0 0 0 0 0 0 0 0 1.2243 1.5953 0.0000 C 0 0 0 0 0 0 0 0 0 1.2243 -1.4951 0.0000 N 0 0 0 0 0 0 0 0 0 -1.4321 -1.4951 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7788 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 2.5525 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 2.5525 -0.7197 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7788 -0.7197 0.0000 C 0 0 0 0 0 0 0 0 0 -4.1069 1.5953 0.0000 Cl 0 0 0 0 0 0 0 0 0 3.8843 -1.4951 0.0000 Cl 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 4 8 2 0 0 0 5 9 2 0 0 0 6 10 2 0 0 0 7 11 1 0 0 0 9 12 1 0 0 0 7 10 1 0 0 0 8 9 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD03427194 > A > 557803 > - > - > - > - $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 0.7125 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1375 -0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1417 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 4 1 0 0 0 0 6 2 1 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 9 3 1 0 0 0 0 10 6 2 0 0 0 0 11 3 1 0 0 0 0 12 8 1 0 0 0 0 4 7 1 0 0 0 0 8 5 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD03427192 > A > 557773 > - > - > - > - $$$$ 19 20 0 0 0 0 0 0 0 0 1 V2000 -1.9366 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9366 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2222 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5077 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5077 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2222 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2068 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9212 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9212 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2068 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2068 1.6471 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2222 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0443 -1.6471 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2222 -0.8250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -1.6471 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6332 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2222 -1.5356 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9212 -0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0443 -0.1116 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 10 11 1 0 3 12 1 0 12 13 1 0 12 14 1 0 12 15 1 0 8 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 12 13 14 15 M SBL 1 1 13 M SMT 1 CF3 M SBV 1 13 -3.8647 2.7443 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 16 17 18 19 M SBL 2 1 17 M SMT 2 CF3 M SBV 2 17 -3.1528 3.1553 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00075104 > A > 337633 > - > - > - > - $$$$ 12 13 0 0 0 1 V2000 -0.7276 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7276 1.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0.5207 -1.1241 0.0000 N 0 0 0 0 0 0 0 0 0 -1.9759 -1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0.5207 1.7172 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9759 1.7172 0.0000 C 0 0 0 0 0 0 0 0 0 1.7690 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2241 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 1.7690 1.0069 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2241 1.0069 0.0000 C 0 0 0 0 0 0 0 0 0 3.0172 -1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 4.2655 -1.8345 0.0000 N 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 2 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 4 8 2 0 0 0 5 9 1 0 0 0 6 10 2 0 0 0 7 11 1 0 0 0 11 12 3 0 0 0 7 9 2 0 0 0 8 10 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00134341 > A > 368946 > - > - > - > - $$$$ 21 22 0 0 0 0 0 0 0 0 1 V2000 7.6971 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6971 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2167 -3.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7363 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7363 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2167 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2559 -3.3875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.7755 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2559 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1792 -2.1885 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1792 -3.3865 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.2167 -3.9854 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.2559 -3.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7737 -4.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2559 -1.5896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7755 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2835 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8031 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2835 -1.5771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3227 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8423 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 16 2 0 0 0 0 16 9 1 0 0 0 0 9 5 1 0 0 0 0 1 10 1 0 0 0 0 2 11 1 0 0 0 0 3 12 1 0 0 0 0 7 13 1 0 0 0 0 13 14 1 0 0 0 0 9 15 2 0 0 0 0 18 17 1 0 0 0 0 17 19 2 0 0 0 0 17 16 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00276022 > A > 540226 > - > - > - > - $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1410 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1410 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 2 1 0 4 11 1 0 9 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00006763 > A > 145645 > - > - > - > - $$$$ 20 22 0 0 0 0 0 0 0 0 1 V2000 -2.5006 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.2374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3557 1.6492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3545 2.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0716 1.6485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -2.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -2.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -2.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -1.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 11 2 0 11 5 1 0 8 10 1 0 11 12 1 0 12 13 1 0 13 14 1 0 12 15 2 0 10 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00006749 > A > 153672 > - > - > - > - $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 5.1968 -6.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1968 -7.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9113 -7.5815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6257 -7.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6257 -6.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9113 -5.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3402 -7.5815 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0547 -7.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0547 -6.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3402 -5.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3402 -5.1065 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4823 -7.5815 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8934 -8.2935 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7703 -7.9926 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0712 -6.8695 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 10 11 1 0 0 0 0 2 12 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 G 12 2 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 12 13 14 15 M SBL 1 1 10 M SDI 1 4 4.6100 -7.2600 4.8200 -7.6200 M SMT 1 CF3 M SBV 1 10 0.7200 0.4100 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00006775 > A > 186023 > - > - > - > - $$$$ 16 18 0 0 0 0 0 0 0 0 1 V2000 -1.0705 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.2070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 2 1 0 4 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00011568 > A > 299650 > - > - > - > - $$$$ 36 37 0 0 0 0 0 0 0 0 1 V2000 5.2875 -7.8250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1583 -5.7917 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.0042 -8.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -8.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -9.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2875 -9.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -9.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 -6.8375 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 6.4542 -6.8375 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 5.2792 -7.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 -6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 -3.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2875 -10.2958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -7.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5875 -5.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5875 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -9.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 -7.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 -5.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2625 -6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 -6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -9.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3042 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -8.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3042 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 16 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 4 2 0 0 0 0 8 3 1 0 0 0 0 9 8 2 0 0 0 0 10 7 1 0 0 0 0 11 5 1 0 0 0 0 12 6 2 0 0 0 0 15 1 1 0 0 0 0 16 25 1 0 0 0 0 17 10 1 0 0 0 0 18 9 1 0 0 0 0 19 3 1 0 0 0 0 20 4 1 0 0 0 0 21 7 1 0 0 0 0 22 8 1 0 0 0 0 23 6 1 0 0 0 0 24 5 1 0 0 0 0 25 30 1 0 0 0 0 26 15 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 26 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 27 1 0 0 0 0 33 22 2 0 0 0 0 34 36 1 0 0 0 0 35 19 2 0 0 0 0 36 20 2 0 0 0 0 12 9 1 0 0 0 0 33 35 1 0 0 0 0 10 11 2 0 0 0 0 34 21 2 0 0 0 0 M CHG 4 1 1 2 1 13 -1 14 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00191973 > A > 399930 > - > - > - > - $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 0.3560 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 2 1 0 9 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00006805 > A > 264911 > - > - > - > - $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -0.3560 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 2 1 0 5 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00014661 > A > 382493 > - > - > - > - $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 1.7849 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 0.8236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 4 1 0 8 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00024024 > A > 375098 > - > - > - > - $$$$ 33 34 0 0 0 0 0 0 0 0 1 V2000 0.8685 -7.6195 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.5185 -5.2487 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.1211 -7.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1211 -6.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8356 -7.6458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5500 -7.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5500 -6.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8356 -5.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4066 -5.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6922 -6.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6922 -7.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4066 -7.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4066 -8.4679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4066 -5.1737 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 9.2035 -4.9601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4066 -4.3487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9802 -7.6444 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1552 -7.6444 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3302 -7.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9177 -6.9299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0927 -6.9299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6802 -7.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0927 -8.3588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9177 -8.3588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3302 -6.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9177 -5.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0927 -5.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6802 -6.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 -7.6444 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.8644 -8.4319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 -6.8194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 -7.6538 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.4523 -5.1215 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 4 1 0 0 0 0 4 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 3 1 0 0 0 0 12 13 1 0 0 0 0 9 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 11 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 19 1 0 0 0 0 20 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 21 1 0 0 0 0 22 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 2 0 0 0 0 29 32 1 0 0 0 0 14 33 1 0 0 0 0 M CHG 4 1 1 2 1 32 -1 33 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00006796 > A > 301906 > - > - > - > - $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 6.6203 -6.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6203 -7.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3348 -7.5808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0492 -7.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0492 -6.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3348 -5.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9058 -5.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1913 -6.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1913 -7.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9058 -7.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3348 -5.1087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4794 -7.5794 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8904 -8.2913 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7674 -7.9904 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0683 -6.8674 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 2 1 0 0 0 0 6 11 1 0 0 0 0 9 12 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 G 12 9 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 12 13 14 15 M SBL 1 1 10 M SDI 1 4 4.6000 -7.2600 4.8100 -7.6100 M SMT 1 CF3 M SBV 1 10 0.7100 0.4100 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00006779 > A > 184217 > - > - > - > - $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.7849 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 10 11 1 0 8 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00006758 > A > H43806 > - > - > - > - $$$$ 11 12 0 0 0 1 V2000 0.1103 0.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0.1103 -0.4552 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1345 1.6897 0.0000 C 0 0 0 0 0 0 0 0 0 1.3552 1.6897 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1345 -1.1828 0.0000 C 0 0 0 0 0 0 0 0 0 1.3552 -1.1828 0.0000 N 0 0 0 0 0 0 0 0 0 -2.3586 0.9793 0.0000 C 0 0 0 0 0 0 0 0 0 2.6000 0.9793 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3586 -0.4552 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1345 -2.6000 0.0000 Br 0 0 0 0 0 0 0 0 0 2.6000 -0.4552 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 4 8 2 0 0 0 5 9 2 0 0 0 5 10 1 0 0 0 6 11 2 0 0 0 7 9 1 0 0 0 8 11 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00191859 > A > 384348 > - > - > - > - $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.7849 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 10 11 1 0 8 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00006745 > A > H43601 > - > - > - > - $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 4.5461 -6.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5461 -5.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2605 -5.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -5.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -6.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2605 -6.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6895 -5.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4039 -5.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4039 -6.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6895 -6.7459 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2605 -7.5680 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9725 -7.9791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5485 -7.9791 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 6 11 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 G 11 6 NO2 M CHG 2 11 1 13 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 11 12 13 M SBL 1 1 10 M SDI 1 4 5.0500 -7.2900 5.4600 -7.2900 M SMT 1 NO2 M SBV 1 10 0.0000 0.8200 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00006806 > A > 130273 > - > - > - > - $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 5.9750 -6.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -7.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6895 -7.4430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4081 -7.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4081 -6.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6895 -5.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2647 -5.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5461 -6.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5461 -7.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2647 -7.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2647 -4.9695 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9767 -4.5555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5485 -4.5555 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 2 1 0 0 0 0 7 11 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 G 11 7 NO2 M CHG 2 11 1 13 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 11 12 13 M SBL 1 1 10 M SDI 1 4 5.4600 -5.2400 5.0500 -5.2400 M SMT 1 NO2 M SBV 1 10 0.0000 -0.8300 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00006790 > A > N23807 > - > - > - > - $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -1.7849 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00006743 > A > 270873 > F > 55050 > - > - $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -1.7849 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.8236 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00006751 > A > 116270 > - > - > - > - $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -1.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 0.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8583 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8583 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 6 1 0 0 0 0 8 2 2 0 0 0 0 9 2 1 0 0 0 0 10 6 2 0 0 0 0 11 7 2 0 0 0 0 12 9 1 0 0 0 0 13 12 1 0 0 0 0 14 10 1 0 0 0 0 15 14 2 0 0 0 0 3 7 1 0 0 0 0 11 15 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00957421 > A > 550612 > - > - > - > - $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 -0.7167 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -1.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8583 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8583 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 3 2 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 7 2 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 6 2 0 0 0 0 12 5 2 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 15 13 1 0 0 0 0 16 12 1 0 0 0 0 6 4 1 0 0 0 0 16 14 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD01863732 > A > 515523 > - > - > - > - $$$$ 30 30 0 0 0 0 0 0 0 0 1 V2000 7.7083 -6.4042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4208 -5.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1333 -6.4000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8843 -5.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8843 -6.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5988 -6.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3133 -6.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3133 -5.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5988 -4.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0277 -6.4321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7422 -6.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7422 -5.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0277 -4.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5988 -7.2543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3718 -7.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3718 -8.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0863 -8.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8008 -8.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8008 -7.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0863 -6.9155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5152 -8.5655 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2297 -8.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2297 -7.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5152 -6.9155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0863 -9.3877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9601 -5.1345 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 7.9601 -5.9566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9601 -4.3123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1380 -5.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7823 -5.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 13 8 1 0 0 0 0 6 14 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 18 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 19 1 0 0 0 0 17 25 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 7 10 1 0 0 0 0 10 11 2 0 0 0 0 26 27 2 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 26 30 1 0 0 0 0 G 26 0 H2SO4 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 26 27 28 29 30 M SMT 1 H2SO4 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00149610 > A > 108073 > - > - > - > - $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -1.7849 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 8 11 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00012091 > A > 299642 > - > - > - > - $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 0.7120 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 0.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.2635 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1409 0.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 1.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0025 1.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 0.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0025 -0.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.3850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.3865 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 2 1 0 8 11 1 0 11 12 1 0 3 13 1 0 M CHG 2 3 1 13 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00009771 > A > 229156 > - > - > - > - $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -1.7849 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 1.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 5 1 0 10 11 1 0 8 12 2 0 7 13 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00024052 > A > 168696 > - > - > - > - $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 0.7125 -1.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1375 -1.2333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 0.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8583 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 0.0042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 2 2 0 0 0 0 7 4 2 0 0 0 0 8 2 1 0 0 0 0 9 5 2 0 0 0 0 10 8 2 0 0 0 0 11 3 1 0 0 0 0 12 7 1 0 0 0 0 13 9 1 0 0 0 0 14 12 1 0 0 0 0 15 14 1 0 0 0 0 16 8 1 0 0 0 0 4 6 1 0 0 0 0 13 12 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00160585 > A > 493996 > - > - > - > - $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 6.4103 -6.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -7.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6738 -7.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9333 -7.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9333 -6.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6738 -6.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1508 -7.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8914 -7.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8914 -6.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1508 -6.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1508 -5.3745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3045 -7.7388 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.7819 -5.0120 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 1 1 0 0 0 0 10 11 1 0 0 0 0 4 12 1 0 0 0 0 11 13 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00006776 > A > 158852 > - > - > - > - $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 6.2811 -6.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2811 -7.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5572 -7.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -7.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -6.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5572 -6.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0049 -7.6941 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7289 -7.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7289 -6.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0049 -6.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5572 -8.4066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5572 -5.3181 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.2211 -7.6324 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 4.7696 -4.7867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -4.4142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4005 -5.2717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 1 1 0 0 0 0 3 11 1 0 0 0 0 6 12 1 0 0 0 0 4 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 2 0 0 0 0 12 16 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00006793 > A > 114634 > - > - > - > - $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 0.3542 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 -1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5042 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 2 2 0 0 0 0 7 4 2 0 0 0 0 8 2 1 0 0 0 0 9 5 2 0 0 0 0 10 8 2 0 0 0 0 11 3 1 0 0 0 0 12 7 1 0 0 0 0 13 9 1 0 0 0 0 14 12 1 0 0 0 0 15 8 1 0 0 0 0 4 6 1 0 0 0 0 13 12 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD01912773 > A > 535648 > - > - > - > - $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.8208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.8208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1417 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1417 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1375 0.4167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 2 0 0 0 0 6 4 2 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 7 2 0 0 0 0 10 2 1 0 0 0 0 11 6 1 0 0 0 0 12 13 1 0 0 0 0 13 8 2 0 0 0 0 14 8 1 0 0 0 0 15 7 1 0 0 0 0 6 5 1 0 0 0 0 12 11 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD02227041 > A > 535656 > - > - > - > - $$$$ 13 14 0 0 0 1 V2000 -0.8586 0.4966 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8586 -0.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0.3828 1.2103 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1000 1.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0.3828 -1.6517 0.0000 N 0 0 0 0 0 0 0 0 0 -2.1000 -1.6517 0.0000 C 0 0 0 0 0 0 0 0 0 1.6207 0.4966 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3414 0.4966 0.0000 C 0 0 0 0 0 0 0 0 0 1.6207 -0.9345 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3414 -0.9345 0.0000 C 0 0 0 0 0 0 0 0 0 2.8621 1.2103 0.0000 C 0 0 0 0 0 0 0 0 0 2.8621 -1.6517 0.0000 Cl 0 0 0 0 0 0 0 0 0 2.8621 2.6483 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 2 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 4 8 2 0 0 0 5 9 1 0 0 0 6 10 2 0 0 0 7 11 1 0 0 0 9 12 1 0 0 0 11 13 2 0 0 0 7 9 2 0 0 0 8 10 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00130079 > A > 390119 > - > - > - > - $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.7849 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 10 11 1 0 8 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00006760 > A > D184403 > - > - > - > - $$$$ 19 21 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -2.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 2.0618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 2.0604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 2 1 0 4 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 11 1 0 17 6 1 0 18 17 2 0 17 19 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00006750 > A > 196479 > - > - > - > - $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 6.6620 -6.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6620 -7.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3765 -7.6444 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0909 -7.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0909 -6.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3765 -5.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9475 -5.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2330 -6.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2330 -7.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9475 -7.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9475 -5.1722 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5211 -5.9958 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5211 -5.1737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8091 -6.4069 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 2 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 G 12 8 NO2 M CHG 2 12 1 14 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 12 13 14 M SBL 1 1 11 M SDI 1 4 4.8500 -5.9500 4.6500 -6.3000 M SMT 1 NO2 M SBV 1 11 0.7000 -0.4100 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00006798 > A > 145025 > - > - > - > - $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -2.1422 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1422 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7133 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7133 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.4146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1422 -0.0007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 11 12 2 0 11 13 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00075032 > A > 334251 > - > - > - > - $$$$ 16 15 0 0 0 0 0 0 0 0 1 V2000 7.5542 -7.1542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3792 -7.1542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.5542 -6.0583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3792 -6.0583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9406 -5.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9406 -6.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1001 -7.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2595 -6.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2595 -5.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1001 -5.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7812 -7.3956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6217 -6.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6217 -5.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7812 -5.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1001 -4.6321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1001 -8.2179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 1 2 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 6 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 5 1 0 0 0 0 10 15 1 0 0 0 0 7 16 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00012737 > A > 305529 > - > - > - > - $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 4.0082 -5.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0082 -6.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7227 -7.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4371 -6.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4371 -5.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7227 -5.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1516 -7.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8661 -6.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8661 -5.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1516 -5.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5781 -5.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4002 -5.5847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 1 2 2 0 0 0 0 11 12 3 0 0 0 0 G 11 9 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 11 12 M SBL 1 1 11 M SDI 1 4 7.4400 -5.9000 7.2300 -5.5400 M SMT 1 CN M SBV 1 11 -0.7100 -0.4100 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00006766 > A > 177156 > - > - > - > - $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 0.7125 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1375 -0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1417 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 4 2 0 0 0 0 6 2 2 0 0 0 0 7 9 2 0 0 0 0 8 5 1 0 0 0 0 9 3 1 0 0 0 0 10 6 1 0 0 0 0 11 3 1 0 0 0 0 12 8 1 0 0 0 0 4 7 1 0 0 0 0 10 8 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00239446 > A > 424048 > - > - > - > - $$$$ 21 20 0 0 0 0 0 0 0 0 1 V2000 6.8875 -5.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4583 -5.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4583 -6.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1708 -5.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1708 -6.7083 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.8875 -6.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6083 -5.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7458 -6.7083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7458 -5.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1708 -4.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3208 -5.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.6125 -4.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -6.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -5.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1708 -7.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1667 -5.5542 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.4792 -6.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -6.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8833 -7.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7667 -7.2167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1917 -7.2167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 7 1 1 0 0 0 0 8 3 2 0 0 0 0 9 2 2 0 0 0 0 10 4 2 0 0 0 0 11 7 1 0 0 0 0 12 7 2 0 0 0 0 13 8 1 0 0 0 0 14 9 1 0 0 0 0 15 5 1 0 0 0 0 18 13 1 0 0 0 0 19 15 1 0 0 0 0 20 17 1 0 0 0 0 21 17 1 0 0 0 0 5 3 1 0 0 0 0 14 13 2 0 0 0 0 M CHG 2 11 -1 16 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00150870 > A > 286745 > - > - > - > - $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1410 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1410 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 2 1 0 4 11 1 0 8 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00006762 > A > 144029 > - > - > - > - $$$$ 16 15 0 0 0 0 0 0 0 0 1 V2000 5.6375 -7.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 -6.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 -6.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 -4.6792 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.0750 -7.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3917 -4.5875 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.2125 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -7.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4167 -5.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4958 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4958 -6.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1292 -6.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7042 -6.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 1 2 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 10 5 2 0 0 0 0 11 6 2 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 15 12 1 0 0 0 0 16 12 1 0 0 0 0 5 2 1 0 0 0 0 14 13 2 0 0 0 0 M CHG 2 7 -1 9 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00150851 > A > 168130 > - > - > - > - $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 0.3583 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -1.2333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 2 0 0 0 0 6 7 2 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 10 11 1 0 0 0 0 11 4 2 0 0 0 0 12 5 1 0 0 0 0 5 6 1 0 0 0 0 10 12 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD03427166 > A > 555622 > - > - > - > - $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 5.2605 -5.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2605 -6.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -6.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6895 -6.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6895 -5.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -5.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4039 -6.7584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1184 -6.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1184 -5.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4039 -5.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5461 -5.1084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8316 -5.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -7.5805 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.6870 -7.9916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2630 -7.9916 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 11 1 1 0 0 0 0 12 11 1 0 0 0 0 3 13 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 G 13 3 NO2 M CHG 2 13 1 15 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 13 14 15 M SBL 1 1 12 M SDI 1 4 5.7700 -7.3000 6.1700 -7.3000 M SMT 1 NO2 M SBV 1 12 0.0000 0.8200 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00006802 > A > 206571 > - > - > - > - $$$$ 15 16 0 0 0 1 V2000 0.3000 0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0.3000 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9138 -0.6759 0.0000 C 0 0 0 0 0 0 0 0 0 1.5103 -0.6759 0.0000 N 0 0 0 0 0 0 0 0 0 1.5103 2.1379 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9138 2.1379 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1241 0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9138 -2.0690 0.0000 C 0 0 3 0 0 0 0 0 0 2.7241 0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 2.7241 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 1.5103 3.5276 0.0000 Cl 0 0 0 0 0 0 0 0 0 -2.1241 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1103 -2.7586 0.0000 F 0 0 0 0 0 0 0 0 0 0.2862 -2.7586 0.0000 F 0 0 0 0 0 0 0 0 0 -1.7793 -3.2379 0.0000 F 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 3 8 1 0 0 0 4 9 2 0 0 0 5 10 2 0 0 0 5 11 1 0 0 0 6 12 2 0 0 0 8 13 1 0 0 0 8 14 1 0 0 0 8 15 1 0 0 0 7 12 1 0 0 0 9 10 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00134578 > A > 382264 > - > - > - > - $$$$ 15 16 0 0 0 1 V2000 0.3000 0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0.3000 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9138 -0.6759 0.0000 C 0 0 0 0 0 0 0 0 0 1.5103 -0.6759 0.0000 N 0 0 0 0 0 0 0 0 0 1.5103 2.1379 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9138 2.1379 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1241 0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9138 -2.0690 0.0000 C 0 0 3 0 0 0 0 0 0 2.7241 0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 2.7241 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 1.5103 3.5276 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1241 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1103 -2.7586 0.0000 F 0 0 0 0 0 0 0 0 0 0.2862 -2.7586 0.0000 F 0 0 0 0 0 0 0 0 0 -1.7793 -3.2379 0.0000 F 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 3 8 1 0 0 0 4 9 2 0 0 0 5 10 2 0 0 0 5 11 1 0 0 0 6 12 2 0 0 0 8 13 1 0 0 0 8 14 1 0 0 0 8 15 1 0 0 0 7 12 1 0 0 0 9 10 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00134577 > A > 382256 > - > - > - > - $$$$ 19 21 0 0 0 0 0 0 0 0 1 V2000 1.0708 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 -0.4667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.3583 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 -1.2875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0708 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7708 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0542 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 2.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 2.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -0.4625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 1.1833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4958 0.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 5 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 4 2 0 0 0 0 8 2 1 0 0 0 0 9 3 2 0 0 0 0 10 1 1 0 0 0 0 11 14 2 0 0 0 0 12 8 1 0 0 0 0 13 8 1 0 0 0 0 14 9 1 0 0 0 0 15 5 2 0 0 0 0 16 10 2 0 0 0 0 17 11 1 0 0 0 0 18 14 1 0 0 0 0 19 10 1 0 0 0 0 2 4 1 0 0 0 0 12 13 1 0 0 0 0 7 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00792458 > A > 531901 > - > - > - > - $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 4.4850 -2.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4850 -3.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9937 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5025 -3.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5025 -2.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9937 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0113 -3.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5201 -3.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5201 -2.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0113 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0289 -3.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 11 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00016722 > A > 415936 > - > - > - > - $$$$ 15 15 0 0 0 0 0 0 0 0 1 V2000 4.9583 -6.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 -5.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 -6.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -5.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9583 -4.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9583 -7.3875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8583 -5.5875 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -4.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 -4.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -5.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0292 -5.5792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 6 2 0 0 0 0 8 1 1 0 0 0 0 10 6 1 0 0 0 0 11 4 1 0 0 0 0 12 5 2 0 0 0 0 13 10 1 0 0 0 0 14 12 1 0 0 0 0 15 9 1 0 0 0 0 4 7 1 0 0 0 0 11 14 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD02683506 > A > 528099 > - > - > - > - $$$$ 20 21 0 0 0 0 0 0 0 0 1 V2000 5.1926 -6.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1926 -7.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9071 -7.5808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6215 -7.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6215 -6.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9071 -5.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3335 -5.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0480 -6.3447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7625 -5.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4769 -6.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3335 -5.1101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4781 -5.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7636 -6.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7636 -7.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4781 -7.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9071 -5.1087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0517 -7.5794 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4627 -8.2913 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3397 -7.9904 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6406 -6.8674 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 7 11 2 0 0 0 0 1 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 2 1 0 0 0 0 6 16 1 0 0 0 0 14 17 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 G 17 14 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 17 18 19 20 M SBL 1 1 15 M SDI 1 4 3.1800 -7.2600 3.3900 -7.6200 M SMT 1 CF3 M SBV 1 15 0.7100 0.4100 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00006769 > A > 384356 > - > - > - > - $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00006695 > A > 125741 > - > - > - > - $$$$ 19 20 0 0 0 0 0 0 0 0 1 V2000 0.3583 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3542 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3542 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3542 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 1.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 -1.6458 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.2125 -0.8208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.2125 0.8250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4958 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2083 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 2 0 0 0 0 6 7 1 0 0 0 0 7 1 2 0 0 0 0 8 11 2 0 0 0 0 9 2 2 0 0 0 0 10 1 1 0 0 0 0 11 9 1 0 0 0 0 12 3 2 0 0 0 0 13 10 2 0 0 0 0 14 5 1 0 0 0 0 15 8 1 0 0 0 0 16 11 1 0 0 0 0 17 10 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 6 4 1 0 0 0 0 5 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00276021 > A > 521647 > - > - > - > - $$$$ 19 20 0 0 0 0 0 0 0 0 1 V2000 -1.9366 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9366 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2222 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5077 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5077 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2222 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2068 -0.4139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9212 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9212 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2068 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2068 2.0611 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.6332 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2222 -1.1259 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9212 -0.0029 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0443 0.2981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2222 -1.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -1.2389 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2222 -2.0611 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0443 -1.2389 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 10 11 1 0 8 12 1 0 12 13 1 0 12 14 1 0 12 15 1 0 3 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 12 13 14 15 M SBL 1 1 13 M SMT 1 CF3 M SBV 1 13 -3.1313 2.9634 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 16 17 18 19 M SBL 2 1 17 M SMT 2 CF3 M SBV 2 17 -3.8433 2.5509 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00075340 > A > 346098 > - > - > - > - $$$$ 19 20 0 0 0 0 0 0 0 0 1 V2000 -0.5077 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5077 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2068 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9212 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9212 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2068 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2222 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9366 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9366 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2222 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2068 1.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6332 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2222 -1.5356 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9212 -0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0443 -0.1116 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2222 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0443 -1.6471 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2222 -0.8250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -1.6471 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 2 1 0 6 11 1 0 4 12 1 0 12 13 1 0 12 14 1 0 12 15 1 0 10 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 12 13 14 15 M SBL 1 1 13 M SMT 1 CF3 M SBV 1 13 -6.0207 3.1553 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 16 17 18 19 M SBL 2 1 17 M SMT 2 CF3 M SBV 2 17 -6.7327 2.7443 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00075091 > A > 337315 > - > - > - > - $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 -0.7120 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -1.0313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 1.4409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7095 1.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.8520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 2 1 0 6 11 1 0 11 12 1 0 4 13 1 0 13 14 1 0 13 15 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00012336 > A > 305081 > - > - > - > - $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 5.9750 -6.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -7.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6895 -7.4430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4081 -7.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4081 -6.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6895 -5.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2647 -5.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5461 -6.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5461 -7.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2647 -7.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2647 -4.9695 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9767 -4.5555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5485 -4.5555 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.2583 -8.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 2 1 0 0 0 0 7 11 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 3 4 2 0 0 0 0 10 14 1 0 0 0 0 G 11 7 NO2 M CHG 2 11 1 13 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 11 12 13 M SBL 1 1 9 M SDI 1 4 5.4600 -5.2400 5.0500 -5.2400 M SMT 1 NO2 M SBV 1 9 0.0000 -0.8300 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00006791 > A > 140325 > - > - > - > - $$$$ 18 19 0 0 0 0 0 0 0 0 1 V2000 5.1926 -6.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1926 -7.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9071 -7.5808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6215 -7.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6215 -6.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9071 -5.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3335 -5.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0480 -6.3447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3335 -5.1101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4781 -5.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7636 -6.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7636 -7.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4781 -7.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9071 -5.1087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0517 -7.5794 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4627 -8.2913 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3397 -7.9904 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6406 -6.8674 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 8 7 1 0 0 0 0 7 9 2 0 0 0 0 1 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 2 1 0 0 0 0 6 14 1 0 0 0 0 12 15 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 G 15 12 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 15 16 17 18 M SBL 1 1 13 M SDI 1 4 3.1800 -7.2600 3.3900 -7.6200 M SMT 1 CF3 M SBV 1 13 0.7100 0.4100 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00006771 > A > 192961 > - > - > - > - $$$$ 18 19 0 0 0 0 0 0 0 0 1 V2000 -1.4289 1.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.1489 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.6733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0024 -1.0844 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.4149 -1.7989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4101 -1.7989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7121 -0.6719 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3010 0.0401 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4241 -0.2608 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1232 -1.3840 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 3 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 G 15 12 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 15 16 17 18 M SBL 1 1 13 M SMT 1 CF3 M SBV 1 13 -0.7100 -0.4100 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00274222 > A > 442771 > - > - > - > - $$$$ 12 13 0 0 0 1 V2000 -0.2069 -0.3621 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2069 1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4448 -1.0690 0.0000 C 0 0 0 0 0 0 0 0 0 1.0276 -1.0690 0.0000 N 0 0 0 0 0 0 0 0 0 1.0172 1.7966 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4448 1.7966 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6897 -0.3621 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4379 -2.5069 0.0000 Cl 0 0 0 0 0 0 0 0 0 2.2724 -0.3621 0.0000 C 0 0 0 0 0 0 0 0 0 2.2724 1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6897 1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 3.5138 -1.0690 0.0000 Cl 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 2 0 0 0 3 7 1 0 0 0 3 8 1 0 0 0 4 9 2 0 0 0 5 10 2 0 0 0 6 11 1 0 0 0 9 12 1 0 0 0 7 11 2 0 0 0 9 10 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16269315 > MFCD00832077 > A > 555614 > - > - > - > - $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 0.3560 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -1.2346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0