13 14 0 0 0 0 0 0 0 0 1 V2000 2.9906 0.7250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3906 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2052 0.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6906 -0.1983 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.1760 0.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6906 -0.7962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2084 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2084 -1.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7281 -1.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2477 -1.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2477 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7281 -0.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3421 1.2087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 4 6 1 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 11 1 0 0 0 0 11 12 2 0 0 0 0 12 7 1 0 0 0 0 1 13 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00059036 > A > 675814 > - > - > - > - $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 5.7969 -5.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9760 -5.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7240 -6.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3802 -6.6587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0531 -6.1769 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8384 -6.4325 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6537 -7.0011 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.2698 -6.2477 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0232 -5.8638 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 5 6 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 G 6 5 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 6 7 8 9 M SBL 1 1 3 M SMT 1 CF3 M SBV 1 3 -0.7800 0.2500 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD02663405 > A > 665622 > - > - > - > - $$$$ 20 21 0 0 0 0 0 0 0 0 1 V2000 -2.3447 0.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9322 -0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1252 -0.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 0.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7927 0.7185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1517 -0.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2379 -0.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4842 -1.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3271 0.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3849 0.3830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0969 0.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8089 0.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3271 1.6162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 -0.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5234 -0.8544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2379 -0.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2379 0.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5234 0.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6439 -1.6162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0705 -1.2037 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 1 1 0 0 0 1 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 2 1 0 0 0 4 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 9 13 2 0 0 0 12 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 12 1 0 0 0 19 20 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SMT 1 • HCl M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD06795932 > A > 652547 > - > - > - > - $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 0.0548 1.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7707 1.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0236 0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3565 0.2433 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4673 2.2265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3569 -0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3547 -0.9905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0692 -0.9894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3547 -1.8155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -2.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3573 -2.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 -1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 1 5 1 0 1 6 2 0 7 8 1 0 7 9 2 0 8 10 1 0 10 11 1 0 10 12 1 0 10 13 1 0 4 7 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 7 8 9 10 11 12 13 M SBL 1 1 13 M SMT 1 Boc M SBV 1 13 0.0004 0.8221 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD01631194 > A > 637564 > - > - > - > - $$$$ 18 19 0 0 0 0 0 0 0 0 1 V2000 -1.8899 -0.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1779 -0.8826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2511 -0.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4609 -0.7966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2511 0.4366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1729 -0.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8874 -0.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6019 -0.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6019 0.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8874 0.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1729 0.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8874 -1.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6019 -0.8826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8899 0.3506 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2224 0.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4774 1.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3024 1.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5573 0.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 3 5 2 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 6 1 0 7 12 1 0 1 13 1 0 1 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 14 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD06411302 > A > 637742 > - > - > - > - $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -1.1270 1.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 1.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3819 1.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.6006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 1.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.6326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0025 -0.6326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0025 -1.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.6326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.8687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 1 0 4 5 1 0 5 2 1 0 4 6 1 0 6 7 2 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 9 14 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00020832 > A > 642932 > - > - > - > - $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 -0.4678 -0.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4678 -0.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1997 0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0553 1.1576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8803 1.1576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1352 0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9816 0.1189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1822 -1.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1822 -2.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4678 -2.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2467 -2.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2467 -1.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9587 -2.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0538 2.5841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1822 1.8721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 3 7 2 0 2 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 2 1 0 11 13 1 0 4 14 1 0 14 15 2 0 14 16 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD03932874 > A > 639745 > - > - > - > - $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 -1.8392 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0142 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4296 -0.4813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0971 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0487 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6675 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3809 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6675 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0487 1.2376 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3809 1.2376 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0971 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3809 -1.2376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 1 5 1 0 3 6 1 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 9 11 1 0 8 12 1 0 8 13 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD07369715 > A > 630462 > - > - > - > - $$$$ 22 25 0 0 0 0 0 0 0 0 1 V2000 -0.4125 0.0000 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.0000 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 0.8208 -0.7083 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.8208 0.7125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.8250 0.7125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.8250 -0.7083 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.6458 -0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4917 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4917 1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1042 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1042 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8167 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8167 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 3 1 0 0 0 0 11 4 1 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 5 1 0 0 0 0 15 8 1 0 0 0 0 16 11 1 0 0 0 0 17 12 1 0 0 0 0 18 9 1 0 0 0 0 19 10 1 0 0 0 0 20 13 1 0 0 0 0 21 14 1 0 0 0 0 22 7 1 0 0 0 0 15 22 1 0 0 0 0 21 20 1 0 0 0 0 17 16 1 0 0 0 0 19 18 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD04974105 > A > 593494 > - > - > - > - $$$$ 16 18 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.3417 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7125 -0.7542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.7167 -0.7542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6667 0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8042 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 -1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6083 -1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 4 1 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 6 1 0 0 0 0 14 9 1 0 0 0 0 15 10 1 0 0 0 0 16 7 1 0 0 0 0 15 14 1 0 0 0 0 11 16 1 0 0 0 0 13 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD04039983 > A > 590541 > - > - > - > - $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 -0.9157 1.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0907 1.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1706 0.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5032 -0.1068 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1643 0.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5032 -0.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3926 1.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0582 2.5791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2176 1.8279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9463 0.1240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2176 -1.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2176 -2.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5032 -2.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2113 -2.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2113 -1.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 2 1 0 0 0 4 6 1 0 0 0 7 8 2 0 0 0 7 9 1 0 0 0 5 10 2 0 0 0 6 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 6 1 0 0 0 2 7 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD01688147 > A > 557420 > - > - > - > - $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -0.2787 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7615 0.2062 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0164 0.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 0.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0964 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 0.2062 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3819 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0964 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3819 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 1.0284 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4896 1.0284 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 0.2063 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1547 1.0284 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 8 10 2 0 0 0 0 7 11 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 G 11 7 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 11 12 13 14 M SBL 1 1 8 M SMT 1 CF3 M SBV 1 8 0.0000 -0.8200 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD03427207 > A > 559407 > - > - > - > - $$$$ 6 6 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.2223 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00003173 > A > M79204 > F > 69110 > - > - $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 0.1333 -1.3417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2792 -0.0750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5833 -1.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5458 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 -0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5875 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4292 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 1 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 3 1 0 0 0 0 9 8 1 0 0 0 0 10 7 1 0 0 0 0 11 9 1 0 0 0 0 3 5 1 0 0 0 0 11 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00177938 > A > 553743 > - > - > - > - $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -0.4125 1.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 0.8960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.4111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 0.8960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 -0.8960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -1.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -1.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 -0.8960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 1 0 4 5 1 0 5 2 1 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 6 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00003162 > A > 149446 > - > - > - > - $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.3255 1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1505 1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4054 0.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 -0.0175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0705 0.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 -0.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0235 -1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -0.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4054 -1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 4 6 1 0 7 6 1 0 8 7 1 0 9 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00003184 > A > 280372 > - > - > - > - $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 -1.8708 2.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1203 1.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4496 1.2201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 2.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4496 0.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7351 -0.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7351 -0.8424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0206 -1.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0206 -2.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6938 -2.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 -2.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 -1.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6938 -0.8424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1203 -2.4910 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 3 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 12 15 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00003180 > A > 197920 > - > - > - > - $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.7919 -0.0160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4594 0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2044 1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3794 1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1245 0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6574 0.2148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7919 -0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0774 -1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6372 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4594 -0.8417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 5 6 2 0 1 7 1 0 7 8 1 0 8 9 1 0 9 10 3 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 9 10 M SBL 1 1 9 M SMT 1 CN M SBV 1 9 -2.4442 3.5755 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00020874 > A > 136557 > - > - > - > - $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 -2.4390 0.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4390 -0.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7246 -0.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0101 -0.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0101 0.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7246 0.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2956 -0.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4189 -0.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4189 0.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2956 0.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2956 1.7335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2956 -1.5665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1333 0.9085 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1333 -0.7415 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2196 -1.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0265 -1.7335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4390 -1.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8870 -0.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 5 1 0 10 11 2 0 7 12 2 0 9 13 1 0 8 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 14 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00010368 > A > 248355 > - > - > - > - $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 0.0008 -0.6354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6683 -0.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4159 0.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4091 0.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6666 -0.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4493 -0.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4493 -0.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 2 6 1 0 5 7 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00005273 > A > M79700 > - > - > - > - $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 5.2478 -3.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4228 -3.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1678 -4.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8353 -5.2566 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5027 -4.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8353 -6.0816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7333 -4.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5583 -4.7125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 4 6 1 0 0 0 0 7 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00003172 > A > 586447 > - > - > - > - $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -0.3674 0.6013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0349 1.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7799 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0451 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 1.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3674 -0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0819 -0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0819 -1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3674 -1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 -1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 -0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0819 0.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 1 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 6 1 0 5 12 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00003192 > A > 307041 > - > - > - > - $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.3933 1.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6626 0.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0043 -0.2275 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 0.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4316 1.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4491 -0.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4491 0.0301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0194 -1.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 4 6 1 0 2 7 2 0 3 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00003194 > A > D184101 > - > - > - > - $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -0.1150 -0.5560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 -1.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5524 -0.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2975 0.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5275 0.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7824 -0.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7824 1.3810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 4 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00003176 > A > M79506 > - > - > - > - $$$$ 18 18 0 0 0 0 0 0 0 0 1 V2000 3.2253 -0.0170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8922 0.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6363 1.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8113 1.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5573 0.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6066 0.0562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2253 -0.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5133 -1.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8013 -0.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0893 -1.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3773 -0.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3347 -1.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0467 -0.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7587 -1.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4707 -0.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1826 -1.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8946 -0.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6066 -1.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 2 6 2 0 1 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 12 7 8 9 10 11 12 13 14 15 16 17 18 M SBL 1 1 7 M SMT 1 CH2(CH2)10CH3 M SBV 1 7 0.2556 2.8454 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00075066 > A > 335673 > - > - > - > - $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.7367 -0.0175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0692 0.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3242 1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1492 1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4041 0.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7367 -0.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0222 -1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6923 -0.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4041 -1.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -1.2514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 1 6 1 0 7 6 1 0 8 7 1 0 8 9 1 0 9 10 3 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 9 10 M SBL 1 1 9 M SMT 1 CN M SBV 1 9 -2.0229 2.5786 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00003183 > A > P73900 > - > - > - > - $$$$ 15 17 0 0 0 0 0 0 0 0 1 V2000 -1.0088 -0.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0088 -0.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2944 -1.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4201 -0.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4201 -0.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2944 0.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 -1.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7233 0.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4378 -0.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4378 -0.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1321 0.3283 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8858 -0.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4378 0.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0253 1.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2183 1.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 2 1 0 1 7 1 0 2 8 1 0 8 9 2 0 9 10 1 0 10 7 2 0 5 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00001674 > A > 159107 > - > - > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.3444 1.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1694 1.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4244 0.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7569 0.0694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0895 0.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7569 -0.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0424 -1.1681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 -0.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4689 -1.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2554 -1.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4689 -0.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 0.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 7 6 1 0 8 7 1 0 6 9 2 0 8 10 1 0 8 11 1 0 8 12 1 0 4 6 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 6 7 8 9 10 11 12 M SBL 1 1 12 M SMT 1 Boc M SBV 1 12 0.0000 0.8250 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00216581 > A > 427055 > - > - > - > - $$$$ 6 6 0 0 0 0 0 0 0 0 1 V2000 -0.3921 -0.6354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2769 -0.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0245 0.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8005 0.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0580 -0.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 -0.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 2 6 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00014491 > A > 478059 > - > - > - > - $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 3.9819 -4.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6458 -4.9001 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.3140 -4.4192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0632 -3.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2399 -3.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0975 -4.6777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6420 -5.7251 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 3.9257 -6.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3546 -6.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -6.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 0 0 0 0 1 2 1 0 0 0 0 3 6 2 0 0 0 0 2 7 1 0 0 0 0 2 3 1 0 0 0 0 7 8 1 0 0 0 0 3 4 1 0 0 0 0 7 9 1 0 0 0 0 4 5 1 0 0 0 0 7 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00051572 > A > 461075 > - > - > - > - $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -0.3075 1.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1325 1.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 1.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7338 0.6082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0612 1.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7428 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0329 -0.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0419 -1.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 -1.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3870 -1.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3960 -0.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 -0.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6533 0.6734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 6 4 1 0 7 6 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 5 13 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00003195 > A > 123757 > - > - > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.1694 -1.2753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 -0.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2431 -0.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5819 -0.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8369 -0.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 -0.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0814 -1.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5513 -0.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4202 -1.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7263 0.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5513 0.6593 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3138 1.3738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 2 6 1 0 2 7 1 0 5 8 1 0 5 9 1 0 3 10 1 0 10 11 1 0 10 12 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00014492 > A > 392588 > - > - > - > - $$$$ 17 17 0 0 0 0 0 0 0 0 1 V2000 -1.9792 0.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.4625 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1542 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4375 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2500 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2500 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2083 -1.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2083 1.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4375 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4208 0.4125 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 0.2750 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4208 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2458 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6333 -0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 3 2 0 0 0 0 9 2 2 0 0 0 0 10 5 2 0 0 0 0 11 14 1 0 0 0 0 12 5 1 0 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 15 11 1 0 0 0 0 16 11 1 0 0 0 0 17 11 1 0 0 0 0 6 7 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD02683467 > A > 530816 > - > - > - > - $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 0.3933 0.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6626 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0043 -0.6385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 -0.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4316 0.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4491 -0.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4491 -0.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 4 6 1 0 2 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00005254 > A > D183806 > - > - > - > - $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.6013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 1.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 1.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 1 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 6 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00003163 > A > P74001 > - > - > - > - $$$$ 22 21 0 0 0 0 0 0 0 0 1 V2000 8.2841 -5.5140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6166 -5.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8716 -4.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6966 -4.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9515 -5.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7334 -5.2831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3008 -5.3098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6333 -4.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8883 -4.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7133 -4.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9682 -4.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7501 -5.0789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3299 -7.5265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6624 -7.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9174 -6.2569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7424 -6.2569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9973 -7.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7792 -7.2956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1083 -6.4917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8208 -6.9042 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 9.6167 -6.6875 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 8.8167 -7.7292 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 7 1 0 0 0 0 11 12 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 5 6 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 13 1 0 0 0 0 17 18 2 0 0 0 0 19 20 1 0 0 0 0 1 2 1 0 0 0 0 20 21 1 0 0 0 0 2 3 1 0 0 0 0 20 22 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00082241 > A > 155209 > - > - > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 5.6458 -5.0042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.1583 -5.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1583 -4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -5.4167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3750 -4.5917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4708 -5.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2625 -5.0542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 -5.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 -5.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4375 -5.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 10 8 1 0 0 0 0 11 7 1 0 0 0 0 4 5 1 0 0 0 0 9 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD02093751 > A > 522341 > - > - > - > - $$$$ 20 22 0 0 0 0 0 0 0 0 1 V2000 -0.9776 -0.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9776 -1.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2632 -2.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4513 -1.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4513 -0.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2632 -0.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2632 0.2506 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4043 0.7355 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1493 1.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6757 1.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9306 0.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7125 0.4814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6326 2.1852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4576 2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 2.9699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0451 3.4548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3776 2.9699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2632 -3.0437 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4488 -3.4548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9752 -3.4548 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 7 1 0 11 12 2 0 9 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 13 1 0 3 18 1 0 18 19 2 0 18 20 1 0 M CHG 2 18 1 20 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 18 19 20 M SBL 1 1 20 M SMT 1 NO2 M SBV 1 20 -3.6362 3.1954 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00142557 > A > 394092 > - > - > - > - $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.0919 -0.3493 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0919 -1.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5756 0.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3206 0.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5044 0.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7593 0.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8039 -1.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8039 1.5854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 2 7 1 0 4 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00003179 > A > E47352 > - > - > - > - $$$$ 17 18 0 0 0 0 0 0 0 0 1 V2000 -0.7877 1.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0551 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3954 -0.0272 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2797 0.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0372 1.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 1.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3471 1.7940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2086 2.6492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8409 2.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8409 0.2266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4085 -0.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2969 -1.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2838 -2.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9916 -2.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 -2.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7257 -1.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0178 -0.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 5 6 1 0 6 7 1 0 6 8 2 0 7 9 1 0 2 10 2 0 3 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00003196 > A > 183679 > - > - > - > - $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.0717 -0.2223 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4043 0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6592 1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4842 1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7391 0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3102 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0247 0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7391 -0.1498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 7 3 1 0 8 7 1 0 9 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00003174 > A > 139513 > - > - > - > - $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.0867 1.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2617 1.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3416 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6742 -0.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0067 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6742 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3861 -1.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7752 0.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3861 0.7642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 1 0 4 5 1 0 5 2 1 0 4 6 1 0 6 7 1 0 5 8 1 0 8 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00003178 > A > 655600 > - > - > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.7736 1.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0435 1.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3854 0.5975 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2911 1.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0513 1.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3854 -0.2275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0056 0.6570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 -0.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 -1.4622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 -0.2290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0435 -1.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 3 6 1 0 4 7 2 0 6 8 1 0 8 9 1 0 8 10 2 0 9 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00003198 > A > 196339 > - > - > - > - $$$$ 25 26 0 0 0 0 0 0 0 0 1 V2000 3.1759 0.8827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6609 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4455 0.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4455 1.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6609 1.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4068 2.3321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4068 -0.5668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0623 -1.5100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6817 -0.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8128 -1.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3172 -1.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0623 -2.3321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3961 -1.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6511 -0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4761 -0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7310 -1.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4455 -0.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1678 0.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3674 0.4394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6529 0.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0616 0.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7761 0.8519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4905 0.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 0.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3387 1.2264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 1 1 0 5 6 2 0 2 7 2 0 8 12 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 8 1 0 13 8 1 0 13 9 1 0 13 10 1 0 16 11 1 0 16 17 1 0 14 18 1 0 19 18 1 0 20 19 1 0 21 20 1 0 22 21 1 0 23 22 1 0 24 23 1 0 18 25 2 0 24 1 1 0 M RAD 1 12 2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00010169 > A > 253413 > - > - > - > - $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 5.9365 -6.0458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.6010 -5.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3406 -4.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5281 -4.7767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2677 -5.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9365 -6.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6519 -7.2854 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2228 -7.2844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 1 6 1 0 0 0 0 7 6 1 0 0 0 0 6 8 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00051321 > A > 206350 > - > - > - > - $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 0.8148 1.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0102 1.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2651 0.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4023 0.1762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0697 0.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8516 0.4070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4023 -0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3122 -1.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0266 -0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1143 -1.0599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0266 0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8516 -0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2402 -1.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 5 6 2 0 8 7 1 0 9 8 1 0 7 10 2 0 9 11 1 0 9 12 1 0 9 13 1 0 4 7 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 7 8 9 10 11 12 13 M SBL 1 1 13 M SMT 1 Boc M SBV 1 13 0.0000 0.8250 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00674099 > A > 464856 > - > - > - > - $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.0705 -0.2223 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7379 0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3114 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0259 0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7379 -0.1484 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 7 3 1 0 8 7 1 0 8 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00003175 > A > 139505 > - > - > - > - $$$$ 17 18 0 0 0 0 0 0 0 0 1 V2000 -0.7952 -0.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0298 -0.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3796 -0.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2717 -0.5680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9261 -0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6504 0.7121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8257 0.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6285 0.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4535 0.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7144 -0.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0507 -0.5355 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0571 -1.3576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2936 -1.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7144 -0.2987 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1158 1.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3249 1.3422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 1 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 3 1 0 4 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 4 1 0 12 13 1 0 5 14 1 0 6 15 2 0 7 16 1 0 8 17 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00142529 > A > 386138 > - > - > - > - $$$$ 18 18 0 0 0 0 0 0 0 0 1 V2000 4.0917 -5.4875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5167 -6.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 -5.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -6.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9500 -6.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9500 -7.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 -5.5292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -4.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -5.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3792 -7.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5667 -5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 6 1 0 0 0 0 4 2 1 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 4 2 0 0 0 0 9 8 1 0 0 0 0 10 7 2 0 0 0 0 11 9 2 0 0 0 0 13 1 1 0 0 0 0 14 1 1 0 0 0 0 15 11 1 0 0 0 0 16 14 1 0 0 0 0 17 13 1 0 0 0 0 18 12 1 0 0 0 0 16 17 1 0 0 0 0 10 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD03427250 > A > 561185 > - > - > - > - $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.8770 1.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1763 0.9718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3907 0.4018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0936 1.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3941 0.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3822 -0.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3334 -1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3356 -1.8957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1763 0.7192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 5 1 0 5 4 1 0 4 1 1 0 6 7 1 0 7 8 1 0 6 3 1 0 5 9 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00014103 > A > 330477 > - > - > - > - $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.4859 1.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7852 0.9718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0004 0.4018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4847 1.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7852 0.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -0.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7245 -1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7267 -1.8957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 5 1 0 5 4 1 0 4 1 1 0 6 7 1 0 7 8 1 0 6 3 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00003181 > A > H29404 > F > 54505 > - > - $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 7.3375 -6.6250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1625 -6.6250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0197 -6.2640 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0197 -7.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7316 -7.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7316 -8.3222 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.6871 -5.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4322 -4.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6072 -4.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3522 -5.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 3 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00012718 > A > C42807 > F > 23065 > - > - $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.4097 1.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4153 1.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6646 0.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -0.0157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6617 0.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -0.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7134 -1.2534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7134 -1.2534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 1 0 4 5 1 0 2 5 1 0 4 6 1 0 6 7 2 0 6 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00003169 > A > 166391 > F > 47728 > - > - $$$$ 6 6 0 0 0 0 0 0 0 0 1 V2000 -0.3909 -0.6348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2765 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0216 0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8034 0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0584 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0584 -0.4039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 2 6 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00005270 > A > 240338 > F > 83300 > - > - $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -0.0250 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -0.1000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6792 -0.1000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.0250 1.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4667 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5917 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0042 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 3 1 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 11 10 1 0 0 0 0 12 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00216641 > F > 21859 > - > - > - > - $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7571 0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0897 0.2285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5778 0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3228 1.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5022 1.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -0.7134 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.7579 -1.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7579 -0.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 -1.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 6 7 1 0 6 8 1 0 6 9 1 0 2 6 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00003164 > A > 277371 > F > 92805 > - > - $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -0.3708 0.2917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.2833 0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 1.5167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7375 1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 0.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 2.1708 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.0667 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0667 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 2 0 0 0 0 8 4 1 0 0 0 0 9 6 2 0 0 0 0 10 6 1 0 0 0 0 11 9 1 0 0 0 0 12 10 2 0 0 0 0 13 12 1 0 0 0 0 5 4 1 0 0 0 0 13 11 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00800296 > F > 78205 > - > - > - > - $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.3687 -0.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3687 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2988 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0438 1.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7812 1.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0361 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0807 0.2141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0807 -1.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 3 7 2 0 2 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00003199 > A > 146358 > F > 04810 > - > - $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.0819 -0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0819 -1.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3674 -1.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 -1.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 -0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3674 -0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3674 0.6027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 1.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0451 1.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7799 1.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0349 1.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0819 0.8336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 7 1 0 8 12 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00003191 > A > 232254 > F > 29545 > - > - $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 0.5902 0.2449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9969 1.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2404 0.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5902 -0.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2234 1.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4839 2.1558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0602 0.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1032 -0.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7937 -0.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1032 -1.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7937 -2.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4839 -0.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4839 -1.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 1 3 1 0 1 4 1 0 5 7 1 0 2 6 2 0 1 7 1 0 4 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 9 12 1 0 11 13 1 0 2 5 1 0 12 13 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00005342 > A > 185175 > F > 13880 > - > - $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.0235 0.3965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0235 -0.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -1.6660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6439 0.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 1.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 1.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 0.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 3 2 1 0 4 3 1 0 1 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 1 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00003182 > A > A55357 > - > - > - > - $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -0.3285 1.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1535 1.5751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4073 0.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7391 0.3061 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0724 0.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7379 -0.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0229 -0.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0217 -1.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6934 -2.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4073 -1.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4061 -0.9283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -0.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2477 2.1668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 6 4 1 0 7 6 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 1 13 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00012132 > A > 302821 > F > 13870 > - > - $$$$ 6 6 0 0 0 0 0 0 0 0 1 V2000 -0.1142 -0.9673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5533 -0.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2983 0.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5267 0.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7816 -0.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7816 0.9673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 3 6 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00005256 > A > P74354 > F > 83250 > - > - $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 7.3375 -6.6250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1625 -6.6250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2126 -7.9181 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.8801 -7.4331 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6251 -6.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8001 -6.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5452 -7.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5945 -7.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3090 -7.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0235 -7.8456 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2126 -8.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 3 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00012717 > A > 139521 > F > 23048 > - > - $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.3255 1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1505 1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4054 0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 -0.0160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0705 0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6439 0.0564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 -0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0235 -1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4054 -1.2535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 5 6 2 0 4 7 1 0 8 7 1 0 9 8 1 0 10 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00003201 > A > 136565 > F > 17334 > - > - $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 4.8756 -6.5515 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.2082 -6.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4631 -5.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 -5.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5430 -6.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3249 -6.3206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8756 -7.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1636 -7.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4516 -7.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7396 -7.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0276 -7.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3156 -7.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6037 -7.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 -7.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 5 6 2 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 G 7 1 CH2(CH2)6CH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 8 7 8 9 10 11 12 13 14 M SBL 1 1 7 M SDI 1 4 4.6700 -7.0900 5.0700 -7.0900 M SMT 1 CH2(CH2)6CH3 M SBV 1 7 0.0000 0.8200 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00074965 > A > 332186 > F > 75072 > - > - $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.3909 -0.0175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2765 0.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0216 1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8034 1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0584 0.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3909 -0.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3235 -1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0584 0.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 1 6 1 0 6 7 2 0 2 8 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00003197 > A > V3409 > F > 95060 > - > - $$$$ 10 8 0 0 0 0 0 0 0 0 1 V2000 5.8292 -3.6542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -3.6542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -2.6583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5958 -2.6583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6833 -2.5361 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8583 -2.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6033 -3.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2708 -3.8057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9382 -3.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2666 -1.9527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 5 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00060176 > A > 404624 > - > - > - > - $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.4301 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 1.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4358 1.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4298 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 -1.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 7 8 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00149016 > A > PVP40T > S > PVP360 > - > - $$$$ 5 5 0 0 0 0 0 0 0 0 1 V2000 -0.4082 0.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4168 0.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6632 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0013 -0.6345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6632 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 1 0 4 5 1 0 2 5 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00005249 > A > 394238 > F > 83241 > - > - $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 5.9516 -2.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3516 -2.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1662 -2.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6516 -3.1696 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1370 -2.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3030 -1.7626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2651 -4.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9641 -4.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2651 -3.7675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8578 -3.7675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1568 -4.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8578 -4.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7547 -4.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0536 -3.7675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6516 -3.7675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9505 -3.2497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 1 6 2 0 0 0 0 4 15 1 0 0 0 0 1 2 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 7 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 G 15 4 Cbz M STY 1 1 SUP M SLB 1 1 1 M SAL 1 10 7 8 9 10 11 12 13 14 15 16 M SBL 1 1 6 M SDI 1 4 5.4400 -3.5600 5.8500 -3.5600 M SMT 1 Cbz M SBV 1 6 0.0000 0.6000 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD03001711 > A > 661201 > - > - > - > - $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 5.4523 -4.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4523 -4.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9719 -5.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4915 -4.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4915 -4.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9719 -4.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0093 -4.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5271 -4.3562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0093 -3.4594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9344 -5.2552 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.3863 -5.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9848 -5.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2848 -5.9767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8717 -5.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 2 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16268400 > MFCD00015469 > A > 678821 > - > - > - > - $$$$