24 25 0 0 1 0 0 0 0 0 1 V2000 0.6055 0.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4305 0.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3506 -0.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 -0.4910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6854 -0.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4673 -0.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0783 0.2900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6383 -1.0643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1223 1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6954 1.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1803 2.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0008 1.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3363 1.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8514 0.5178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0309 0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1540 1.0993 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1858 -0.2333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7300 -1.7242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4420 -1.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8530 -2.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0309 -0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 -0.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 -1.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 -1.7242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 2 1 0 0 0 5 6 1 1 0 0 6 7 1 0 0 0 6 8 2 0 0 0 1 9 1 6 0 0 9 10 1 0 0 0 10 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 10 1 0 0 0 13 16 1 0 0 0 14 17 1 0 0 0 4 23 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 19 21 1 0 0 0 19 22 1 0 0 0 23 24 2 0 0 0 18 23 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 18 19 20 21 22 23 24 M SBL 1 1 19 M SMT 1 Boc M SBV 1 19 -4.5169 1.7487 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD06659424 > F > 40372 > - > - > - > - $$$$ 26 27 0 0 1 0 0 0 0 0 1 V2000 0.1967 0.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0217 0.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 -0.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6092 -0.4910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2766 -0.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0585 -0.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6695 0.2900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2294 -1.0643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2866 1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1042 1.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5891 2.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4096 1.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7452 1.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2602 0.5178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4397 0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3212 -1.7242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0332 -1.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4442 -2.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6221 -0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7452 -0.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6092 -1.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1028 -1.7242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1675 -0.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8795 -0.5739 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5777 0.5476 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4555 0.2482 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 2 1 0 0 0 5 6 1 1 0 0 6 7 1 0 0 0 6 8 2 0 0 0 1 9 1 6 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 10 1 0 0 0 4 21 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 17 19 1 0 0 0 17 20 1 0 0 0 21 22 2 0 0 0 16 21 1 0 0 0 15 23 1 0 0 0 23 24 1 0 0 0 23 25 1 0 0 0 23 26 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 16 17 18 19 20 21 22 M SBL 1 1 17 M SMT 1 Boc M SBV 1 17 -3.3178 1.8346 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 23 24 25 26 M SBL 2 1 24 M SMT 2 CF3 M SBV 2 24 -3.0455 1.8898 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD06659426 > F > 38455 > - > - > - > - $$$$ 26 27 0 0 1 0 0 0 0 0 1 V2000 1.0166 0.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8416 0.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7616 -0.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4291 -0.4910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0965 -0.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8784 -0.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4894 0.2900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0493 -1.0643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2843 1.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7692 2.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5897 1.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9253 1.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4403 0.5178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6199 0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1411 -1.7242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8530 -1.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2641 -2.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4420 -0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5650 -0.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4291 -1.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7171 -1.7242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7429 1.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7429 0.2772 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.5650 1.0993 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.7429 1.9214 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 2 1 0 0 0 5 6 1 1 0 0 6 7 1 0 0 0 6 8 2 0 0 0 1 9 1 6 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 10 1 0 0 0 4 21 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 17 19 1 0 0 0 17 20 1 0 0 0 21 22 2 0 0 0 16 21 1 0 0 0 13 23 1 0 0 0 23 24 1 0 0 0 23 25 1 0 0 0 23 26 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 16 17 18 19 20 21 22 M SBL 1 1 17 M SMT 1 Boc M SBV 1 17 -5.4426 3.4674 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 23 24 25 26 M SBL 2 1 24 M SMT 2 ^CF3 M SBV 2 24 -6.2602 4.2036 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD06659430 > F > 01336 > - > - > - > - $$$$ 26 27 0 0 1 0 0 0 0 0 1 V2000 -1.1585 -0.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3335 -0.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4135 -1.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7460 -1.7399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0786 -1.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6359 -1.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6359 -0.8424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6359 -2.4896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3479 -1.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6359 -0.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3504 0.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3504 1.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6359 1.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0786 1.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0786 0.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6359 2.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1863 2.4518 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6359 3.2740 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4580 2.4518 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -2.9731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -2.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 -3.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2669 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3899 -2.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7460 -2.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4580 -2.9731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 2 1 0 0 0 5 6 1 1 0 0 5 7 1 6 0 0 6 8 2 0 0 0 6 9 1 0 0 0 7 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 10 1 0 0 0 13 16 1 0 0 0 16 17 1 0 0 0 16 18 1 0 0 0 16 19 1 0 0 0 4 25 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 21 23 1 0 0 0 21 24 1 0 0 0 25 26 2 0 0 0 20 25 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 16 17 18 19 M SBL 1 1 17 M SMT 1 CF3 M SBV 1 17 -2.9693 4.7173 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 7 20 21 22 23 24 25 26 M SBL 2 1 21 M SMT 2 Boc M SBV 2 21 -2.9693 3.0731 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD06796802 > F > 42004 > - > - > - > - $$$$ 26 27 0 0 1 0 0 0 0 0 1 V2000 -1.1585 -0.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3335 -0.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4135 -1.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7460 -1.7399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0786 -1.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6359 -1.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6359 -0.8424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6359 -2.4896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3479 -1.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6359 -0.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3504 0.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3504 1.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6359 1.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0786 1.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0786 0.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6359 2.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1863 2.4518 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6359 3.2740 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4580 2.4518 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -2.9731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -2.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 -3.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2669 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3899 -2.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7460 -2.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4580 -2.9731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 2 1 0 0 0 5 6 1 6 0 0 5 7 1 1 0 0 6 8 2 0 0 0 6 9 1 0 0 0 7 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 10 1 0 0 0 13 16 1 0 0 0 16 17 1 0 0 0 16 18 1 0 0 0 16 19 1 0 0 0 4 25 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 21 23 1 0 0 0 21 24 1 0 0 0 25 26 2 0 0 0 20 25 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 16 17 18 19 M SBL 1 1 17 M SMT 1 CF3 M SBV 1 17 -3.9146 4.7173 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 7 20 21 22 23 24 25 26 M SBL 2 1 21 M SMT 2 Boc M SBV 2 21 -3.9146 3.0731 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD06796804 > F > 05199 > - > - > - > - $$$$ 26 27 0 0 1 0 0 0 0 0 1 V2000 -2.0432 1.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2182 1.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9633 1.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6307 0.5804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2982 1.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2488 1.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4656 1.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2488 2.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5155 0.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1989 -0.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1989 -0.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9134 -1.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6279 -0.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6279 -0.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9134 0.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3399 -1.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3399 -2.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1649 -1.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3399 -0.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3427 -0.6557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3427 -1.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1649 -1.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5206 -1.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3427 -2.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6307 -0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9188 -0.6557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 3 6 1 1 6 7 1 0 6 8 2 0 3 9 1 6 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 10 1 0 13 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 4 25 1 0 20 21 1 0 21 22 1 0 21 23 1 0 21 24 1 0 25 26 2 0 20 25 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 20 21 22 23 24 25 26 M SBL 1 1 21 M SMT 1 Boc M SBV 1 21 0.0000 0.8250 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD06796822 > F > 39793 > - > - > - > - $$$$ 26 27 0 0 1 0 0 0 0 0 1 V2000 1.5042 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3208 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -1.5792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.2917 -1.2250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8083 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8083 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8083 -2.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -1.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8083 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8083 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8083 1.4708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2125 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8083 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4083 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3208 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -2.1750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1375 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3583 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 6 0 0 0 5 7 1 1 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 2 1 0 0 0 0 4 25 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 25 26 2 0 0 0 0 20 25 1 0 0 0 0 G 25 4 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 20 21 22 23 24 25 26 M SBL 1 1 21 M SMT 1 Boc M SBV 1 21 0.0000 0.6000 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD06796824 > F > 39166 > - > - > - > - $$$$ 22 23 0 0 1 0 0 0 0 0 1 V2000 -1.1245 0.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2995 0.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3794 -0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.9177 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0446 -0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 -0.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 -0.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 -1.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3819 -0.4342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 0.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3844 1.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3844 2.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 2.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0446 2.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0446 1.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.1509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1231 -2.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3009 -1.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -1.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -2.1509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 2 1 0 0 0 5 6 1 1 0 0 5 7 1 6 0 0 6 8 2 0 0 0 6 9 1 0 0 0 7 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 10 1 0 0 0 4 21 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 17 19 1 0 0 0 17 20 1 0 0 0 21 22 2 0 0 0 16 21 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 16 17 18 19 20 21 22 M SBL 1 1 17 M SMT 1 Boc M SBV 1 17 -3.7087 3.1245 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD06795522 > F > 47079 > - > - > - > - $$$$ 22 23 0 0 1 0 0 0 0 0 1 V2000 -1.1245 0.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2995 0.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3794 -0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.9177 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0446 -0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 -0.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 -0.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 -1.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3819 -0.4342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 0.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3844 1.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3844 2.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 2.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0446 2.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0446 1.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.1509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1231 -2.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3009 -1.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -1.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -2.1509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 2 1 0 0 0 5 6 1 6 0 0 5 7 1 1 0 0 6 8 2 0 0 0 6 9 1 0 0 0 7 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 10 1 0 0 0 4 21 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 17 19 1 0 0 0 17 20 1 0 0 0 21 22 2 0 0 0 16 21 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 16 17 18 19 20 21 22 M SBL 1 1 17 M SMT 1 Boc M SBV 1 17 -3.0212 2.8667 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD06659153 > F > 76896 > - > - > - > - $$$$ 23 24 0 0 1 0 0 0 0 0 1 V2000 -1.1245 -0.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2995 -0.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3794 -0.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.3288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0446 -0.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 -1.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 -0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 -2.0785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3819 -0.8453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 0.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3844 0.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3844 1.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 2.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0446 1.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0446 0.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 2.8629 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.5620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -2.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1231 -2.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3009 -1.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -1.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -2.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -2.5620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 2 1 0 0 0 5 6 1 1 0 0 5 7 1 6 0 0 6 8 2 0 0 0 6 9 1 0 0 0 7 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 10 1 0 0 0 13 16 1 0 0 0 4 22 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 18 20 1 0 0 0 18 21 1 0 0 0 22 23 2 0 0 0 17 22 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 17 18 19 20 21 22 23 M SBL 1 1 18 M SMT 1 Boc M SBV 1 18 -3.3649 3.1416 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD06797544 > F > 67420 > - > - > - > - $$$$ 23 24 0 0 1 0 0 0 0 0 1 V2000 -1.1245 -0.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2995 -0.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3794 -0.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.3288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0446 -0.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 -1.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 -0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 -2.0785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3819 -0.8453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 0.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3844 0.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3844 1.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 2.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0446 1.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0446 0.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 2.8629 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.5620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -2.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1231 -2.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3009 -1.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -1.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -2.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -2.5620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 2 1 0 0 0 5 6 1 6 0 0 5 7 1 1 0 0 6 8 2 0 0 0 6 9 1 0 0 0 7 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 10 1 0 0 0 13 16 1 0 0 0 4 22 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 18 20 1 0 0 0 18 21 1 0 0 0 22 23 2 0 0 0 17 22 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 17 18 19 20 21 22 23 M SBL 1 1 18 M SMT 1 Boc M SBV 1 18 -2.9352 3.2275 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD06797545 > F > 14931 > - > - > - > - $$$$ 18 18 0 0 1 0 0 0 0 0 1 V2000 -1.1245 0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2995 0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3794 0.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.4548 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0446 0.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 -0.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 -1.2045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3819 0.0287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5388 0.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3260 1.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9074 1.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1231 -1.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3009 -0.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -0.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -1.6880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 2 1 0 0 0 5 6 1 1 0 0 6 7 2 0 0 0 6 8 1 0 0 0 5 9 1 6 0 0 9 10 1 0 0 0 10 11 2 0 0 0 4 17 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 13 15 1 0 0 0 13 16 1 0 0 0 17 18 2 0 0 0 12 17 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 12 13 14 15 16 17 18 M SBL 1 1 12 M SMT 1 Boc M SBV 1 12 -2.8493 2.1689 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD01076221 > F > 06538 > - > - > - > - $$$$ 18 18 0 0 1 0 0 0 0 0 1 V2000 -1.1245 0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2995 0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3794 0.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.4548 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0446 0.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 -0.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 -1.2045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3819 0.0287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5388 0.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3260 1.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9074 1.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1231 -1.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3009 -0.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -0.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -1.6880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 2 1 0 0 0 5 6 1 6 0 0 6 7 2 0 0 0 6 8 1 0 0 0 5 9 1 1 0 0 9 10 1 0 0 0 10 11 2 0 0 0 4 17 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 13 15 1 0 0 0 13 16 1 0 0 0 17 18 2 0 0 0 12 17 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 12 13 14 15 16 17 18 M SBL 1 1 12 M SMT 1 Boc M SBV 1 12 -2.6774 1.9970 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD06659382 > F > 06486 > - > - > - > - $$$$ 12 11 0 0 1 0 0 0 0 0 1 V2000 -1.2216 0.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3966 0.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4765 -0.3621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8091 -0.8470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1416 -0.3621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5728 -0.7746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5728 -1.5967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2848 -0.3635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 0.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2289 1.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8103 1.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4765 0.6030 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 2 1 0 0 0 5 6 1 1 0 0 6 7 2 0 0 0 6 8 1 0 0 0 5 9 1 6 0 0 9 10 1 0 0 0 10 11 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD06659381 > F > 06541 > - > - > - > - $$$$ 12 11 0 0 1 0 0 0 0 0 1 V2000 -1.2216 0.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3966 0.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4765 -0.3621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8091 -0.8470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1416 -0.3621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5728 -0.7746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5728 -1.5967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2848 -0.3635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 0.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2289 1.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8103 1.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4765 0.6030 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 2 1 0 0 0 5 6 1 6 0 0 6 7 2 0 0 0 6 8 1 0 0 0 5 9 1 1 0 0 9 10 1 0 0 0 10 11 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD06659238 > F > 06594 > - > - > - > - $$$$ 16 16 0 0 1 0 0 0 0 0 1 V2000 -0.6936 1.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1314 1.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9486 0.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2811 0.4714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3863 0.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1008 0.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8153 0.9563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1769 2.4061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1008 -0.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9931 -0.7618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9931 -1.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8153 -1.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 -1.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9931 -2.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2811 -0.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4309 -0.7618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 1 0 4 5 1 0 5 2 1 0 5 6 1 1 6 7 1 0 1 8 1 1 6 9 2 0 4 15 1 0 10 11 1 0 11 12 1 0 11 13 1 0 11 14 1 0 15 16 2 0 10 15 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 10 11 12 13 14 15 16 M SBL 1 1 10 M SMT 1 Boc M SBV 1 10 0.0000 0.8221 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD02094406 > A > 654019 > - > - > - > - $$$$ 17 17 0 0 1 0 0 0 0 0 1 V2000 -0.1960 -0.1070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4715 0.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2165 1.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6085 1.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8634 0.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0917 1.8277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1245 -0.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1245 -0.9159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8389 0.3216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5509 -0.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9104 -1.3788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7259 -1.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9395 -0.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9395 -1.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5509 -1.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 -1.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5043 -1.4487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 2 7 1 1 7 8 2 0 4 6 1 6 7 9 1 0 9 10 1 0 13 12 1 0 12 14 1 0 12 15 1 0 16 11 1 0 16 17 2 0 11 12 1 0 1 16 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 9 10 M SBL 1 1 9 M SMT 1 OCH3 M SBV 1 9 -0.7145 -0.4125 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 7 11 12 13 14 15 16 17 M SBL 2 1 17 M SMT 2 Boc M SBV 2 17 0.0000 0.9109 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD00076981 > A > 639737 > - > - > - > - $$$$ 9 9 0 0 1 0 0 0 0 0 1 V2000 -1.4265 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.4146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 4 7 1 6 0 0 7 8 1 0 0 0 7 9 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD00064346 > A > 268062 > F > 80617 > - > - $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 7 4 1 0 8 7 1 0 7 9 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD00064347 > A > P45850 > F > 80618 > - > - $$$$ 9 9 0 0 1 0 0 0 0 0 1 V2000 5.3759 -6.9993 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0434 -6.5144 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7884 -5.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9634 -5.7298 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7085 -6.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4802 -5.0647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7578 -6.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 -6.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7584 -5.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 4 6 1 6 0 0 0 2 7 1 6 0 0 0 7 8 1 0 0 0 0 1 2 1 0 0 0 0 7 9 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD00005252 > F > 56246 > S > H5877 > - > - $$$$ 20 19 0 0 1 0 0 0 0 0 1 V2000 6.2917 -5.7333 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3042 -6.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9500 -5.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7375 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5958 -6.9792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4375 -6.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -6.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1583 -7.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8708 -6.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3500 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -5.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6208 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9125 -6.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6958 -4.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -4.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6083 -7.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -4.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -7.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -4.4292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -4.4375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 3 4 1 1 0 0 0 5 2 1 0 0 0 0 6 8 1 0 0 0 0 7 2 2 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 10 4 2 0 0 0 0 11 6 2 0 0 0 0 12 1 1 0 0 0 0 13 4 1 0 0 0 0 14 3 1 0 0 0 0 15 12 1 0 0 0 0 5 16 1 6 0 0 0 18 6 1 0 0 0 0 19 17 1 0 0 0 0 20 17 1 0 0 0 0 14 15 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD01860852 > A > 472247 > - > - > - > - $$$$ 12 12 0 0 1 0 0 0 0 0 1 V2000 5.7120 -4.6177 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5329 -4.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4863 -5.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1716 -5.8658 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.8084 -5.3651 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6059 -5.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2052 -5.0396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7960 -6.4059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1363 -4.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2143 -6.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5227 -7.1374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9492 -7.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 2 5 1 0 0 0 0 5 6 1 1 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 1 9 1 6 0 0 0 4 10 1 0 0 0 0 1 2 1 0 0 0 0 10 11 2 0 0 0 0 1 3 1 0 0 0 0 10 12 1 0 0 0 0 G 10 4 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 10 11 12 M SBL 1 1 8 M SDI 1 4 5.9900 -6.4200 6.4000 -6.4000 M SMT 1 Boc M SBV 1 8 -0.0400 0.8200 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD00037339 > A > 441562 > F > 01192 > - > - $$$$ 17 17 0 0 1 0 0 0 0 0 1 V2000 2.5446 0.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7196 0.8113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4647 0.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1321 -0.4582 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.7996 0.0267 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5815 -0.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2364 1.4765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7524 -1.0315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0629 -1.0755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3509 -0.6645 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7620 0.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0601 -1.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3611 -0.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7749 -0.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7749 0.1577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3777 -0.2225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5835 -0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 14 1 0 0 0 0 6 16 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 5 6 1 1 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 14 15 2 0 0 0 0 9 14 1 0 0 0 0 2 7 1 1 0 0 0 6 8 2 0 0 0 0 16 17 1 0 0 0 0 G 14 4 Boc G 16 6 OCH3 M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 7 9 10 11 12 13 14 15 M SBL 1 1 1 M SMT 1 Boc M SBV 1 1 0.3500 0.2100 M SAL 2 2 16 17 M SBL 2 1 2 M SMT 2 OCH3 M SBV 2 2 -0.8000 0.0000 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD00237541 > A > 654000 > - > - > - > - $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 5.9167 -6.2125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6958 -6.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2458 -6.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -5.4375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3208 -5.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -6.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8500 -7.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -5.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -4.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 4 9 1 1 0 0 0 8 6 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD00143991 > A > 420174 > - > - > - > - $$$$ 33 36 0 0 1 0 0 0 0 0 1 V2000 1.8259 0.1166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4956 0.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2427 1.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4148 1.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1561 0.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 2.0570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2101 1.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9246 0.5996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2101 1.8342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5317 -0.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8197 -0.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2088 -0.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5431 0.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3608 0.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9717 1.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7536 0.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9246 0.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3136 -0.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6488 -1.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8669 -1.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2559 -1.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4269 -0.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1321 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3099 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1011 2.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3466 2.7465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1139 -1.1022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1139 -1.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 -1.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9360 -1.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1139 -2.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8259 -0.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5379 -1.1022 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 4 6 1 1 2 7 1 1 8 7 1 0 7 9 2 0 6 25 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 10 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 10 18 1 0 11 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 12 22 1 0 13 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 1 32 1 0 27 28 1 0 28 29 1 0 28 30 1 0 28 31 1 0 32 33 2 0 27 32 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 M SAL 1 2 25 26 M SBL 1 1 10 M SMT 1 ^Fmoc M SBV 1 10 0.8279 0.0000 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 7 27 28 29 30 31 32 33 M SBL 2 1 30 M SMT 2 Boc M SBV 2 30 0.0000 0.8078 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD00673782 > A > 534404 > - > - > - > - $$$$ 33 36 0 0 1 0 0 0 0 0 1 V2000 5.0264 -5.7676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7879 -6.5573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1224 -6.5295 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8512 -5.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5294 -5.1127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4652 -7.0282 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.7689 -6.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7689 -7.7450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4833 -6.5075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7744 -3.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5204 -4.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1855 -4.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8506 -4.0886 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5966 -3.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0076 -2.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5966 -1.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7744 -1.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3634 -2.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2307 -4.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3166 -5.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3485 -5.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0996 -5.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6325 -4.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8034 -5.1468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5853 -5.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1963 -4.8508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5293 -8.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8173 -8.1178 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2284 -7.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4063 -8.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1053 -7.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2413 -8.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2413 -7.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 25 1 0 0 0 0 6 32 1 0 0 0 0 1 2 1 0 0 0 0 2 6 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 10 14 2 0 0 0 0 14 15 1 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 10 18 1 0 0 0 0 11 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 12 22 1 0 0 0 0 13 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 6 3 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 1 5 1 6 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 3 7 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 32 33 2 0 0 0 0 27 32 1 0 0 0 0 G 25 5 Fmoc G 32 6 Boc M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 15 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 M SAL 1 2 25 26 M SBL 1 1 1 M SMT 1 Fmoc M SBV 1 1 0.9400 0.2900 M SAL 2 7 27 28 29 30 31 32 33 M SBL 2 1 2 M SMT 2 Boc M SBV 2 2 0.2300 1.0900 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD00673783 > A > 534390 > - > - > - > - $$$$ 18 18 0 0 1 0 0 0 0 0 1 V2000 4.3167 -6.2667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -5.7292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6500 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -6.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -5.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -5.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -5.0292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7042 -6.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -7.6625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 -6.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 -4.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0542 -6.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6375 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4292 -5.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -7.6542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 1 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 2 2 0 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 9 5 1 0 0 0 0 11 9 1 0 0 0 0 8 12 1 6 0 0 0 13 11 2 0 0 0 0 14 11 1 0 0 0 0 15 14 2 0 0 0 0 16 13 1 0 0 0 0 17 16 2 0 0 0 0 18 10 1 0 0 0 0 4 8 1 0 0 0 0 15 17 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD00237998 > F > 43746 > - > - > - > - $$$$ 9 9 0 0 1 0 0 0 0 0 1 V2000 5.9167 -6.2250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6917 -6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -6.6792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -5.4500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3167 -5.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -6.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8500 -7.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -5.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -4.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 4 9 1 6 0 0 0 6 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD00216471 > F > 56244 > - > - > - > - $$$$ 16 16 0 0 0 0 0 0 0 0 1 V2000 5.4016 -6.4216 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1160 -6.0091 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8345 -6.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8304 -7.2593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5489 -6.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6872 -6.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1160 -5.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6872 -5.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4016 -4.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6918 -7.6594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9798 -7.2483 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3909 -6.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5686 -7.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2677 -6.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4039 -7.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4039 -6.4261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 9 1 0 0 0 0 1 15 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 15 16 2 0 0 0 0 10 15 1 0 0 0 0 G 15 1 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 10 11 12 13 14 15 16 M SBL 1 1 8 M SMT 1 Boc M SBV 1 8 0.0000 0.8200 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD01862877 > A > 495875 > F > 04063 > - > - $$$$ 26 29 0 0 1 0 0 0 0 0 1 V2000 5.2561 -6.4208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9692 -6.0054 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6878 -6.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6836 -7.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4022 -6.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -6.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9692 -5.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -5.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2561 -4.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2297 -5.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8186 -6.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3688 -7.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1199 -6.8347 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0340 -6.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5842 -5.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3301 -4.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5258 -4.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9756 -5.0640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0143 -6.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7603 -7.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3104 -8.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1147 -7.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -7.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5441 -6.8347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2561 -7.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9682 -6.8347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 9 1 0 0 0 0 1 25 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 1 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 10 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 G 25 1 Fmoc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 M SAL 1 2 25 26 M SBL 1 1 2 M SMT 1 Fmoc M SBV 1 2 0.0000 0.8300 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD00235898 > F > 09777 > - > - > - > - $$$$ 26 29 0 0 1 0 0 0 0 0 1 V2000 2.7333 -1.2250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.7208 -0.4625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4417 -1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 -3.3667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7083 -4.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -4.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3958 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 -2.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9958 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -2.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -1.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5583 -0.8542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3958 0.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9833 -0.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8333 -0.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 -5.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -3.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 -3.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -4.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 10 1 0 0 0 0 5 7 2 0 0 0 0 6 8 2 0 0 0 0 7 4 1 0 0 0 0 8 4 1 0 0 0 0 2 9 1 1 0 0 0 10 12 1 0 0 0 0 11 2 1 0 0 0 0 12 3 1 0 0 0 0 13 1 1 0 0 0 0 14 3 2 0 0 0 0 15 13 1 0 0 0 0 16 9 2 0 0 0 0 17 9 1 0 0 0 0 15 18 1 6 0 0 0 19 5 1 0 0 0 0 20 6 1 0 0 0 0 21 7 1 0 0 0 0 22 8 1 0 0 0 0 23 22 2 0 0 0 0 24 21 2 0 0 0 0 25 24 1 0 0 0 0 26 23 1 0 0 0 0 15 11 1 0 0 0 0 6 5 1 0 0 0 0 26 20 2 0 0 0 0 19 25 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD00065654 > F > 47686 > - > - > - > - $$$$ 9 9 0 0 1 0 0 0 0 0 1 V2000 6.6917 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -5.9042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2625 -6.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3042 -5.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -6.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -5.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 7 1 0 0 0 0 8 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD01318647 > F > 17249 > - > - > - > - $$$$ 30 33 0 0 1 0 0 0 0 0 1 V2000 -0.3190 2.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1440 2.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 1.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7315 1.4748 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0641 1.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6504 1.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3624 1.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6504 0.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8585 3.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5730 2.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2875 3.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5730 1.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2875 2.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1964 -1.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4505 -0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7853 -0.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1202 -0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3743 -1.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9632 -2.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3743 -3.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1964 -3.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6075 -2.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2015 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6223 0.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8713 0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3383 -0.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1674 0.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6145 0.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2255 -0.1888 0.0000 O 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 5 6 1 1 0 0 6 7 1 0 0 0 6 8 2 0 0 0 2 9 1 6 0 0 10 9 1 0 0 0 11 10 1 0 0 0 10 12 1 0 0 0 10 13 1 0 0 0 4 29 1 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 14 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 14 22 1 0 0 0 15 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 16 26 1 0 0 0 17 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 2 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 M SAL 1 2 29 30 M SBL 1 1 14 M SMT 1 Fmoc M SBV 1 14 -9.3329 6.3145 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD00065655 > F > 47517 > - > - > - > - $$$$ 28 30 0 0 0 0 0 0 0 0 1 V2000 -0.5851 -0.4274 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2382 -0.9174 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.1913 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1753 0.2657 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3547 -1.4904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5851 0.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5179 0.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8313 0.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8943 -0.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9189 -0.2556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6078 0.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5179 1.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1753 1.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4016 0.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2142 0.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5851 2.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8112 1.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9503 0.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2142 1.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9102 1.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4016 2.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5262 -2.1078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1859 -1.6967 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5970 -2.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2252 -0.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 -1.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2382 -1.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9503 -2.1078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 3 10 1 0 0 0 0 8 11 1 0 0 0 0 7 12 1 0 0 0 0 6 13 2 0 0 0 0 6 14 1 0 0 0 0 7 15 2 0 0 0 0 13 16 1 0 0 0 0 14 17 2 0 0 0 0 15 18 1 0 0 0 0 12 19 2 0 0 0 0 19 20 1 0 0 0 0 16 21 2 0 0 0 0 9 11 1 0 0 0 0 18 20 2 0 0 0 0 17 21 1 0 0 0 0 2 27 1 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 27 28 2 0 0 0 0 22 27 1 0 0 0 0 G 27 2 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 22 23 24 25 26 27 28 M SBL 1 1 18 M SMT 1 Boc M SBV 1 18 0.0000 0.7800 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD03095511 > F > 30763 > - > - > - > - $$$$ 23 24 0 0 0 0 0 0 0 0 1 V2000 5.3929 -7.8192 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0375 -7.3550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8482 -7.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6447 -6.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0171 -8.3980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -7.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4815 -6.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4585 -7.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7882 -6.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1492 -4.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7080 -5.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0832 -5.4729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9227 -4.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -4.9801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0032 -6.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9428 -3.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6823 -8.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9702 -8.5568 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3814 -7.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5591 -9.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2582 -8.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3944 -8.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3944 -7.7346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11 14 2 0 0 0 0 6 15 1 0 0 0 0 10 16 1 0 0 0 0 9 15 1 0 0 0 0 10 13 2 0 0 0 0 1 22 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 1 6 1 0 0 0 0 4 7 1 0 0 0 0 3 8 1 0 0 0 0 2 9 1 0 0 0 0 10 14 1 0 0 0 0 7 11 1 0 0 0 0 7 12 2 0 0 0 0 12 13 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 22 23 2 0 0 0 0 17 22 1 0 0 0 0 G 22 1 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 17 18 19 20 21 22 23 M SBL 1 1 6 M SMT 1 Boc M SBV 1 6 0.0000 0.7400 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD03095470 > F > 76501 > - > - > - > - $$$$ 23 24 0 0 0 0 0 0 0 0 1 V2000 5.4406 -7.8349 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0937 -7.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8702 -7.6315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6667 -6.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4832 -7.0585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -7.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4635 -5.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0336 -8.4079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8502 -6.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0537 -4.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8073 -3.6636 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.6841 -5.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0336 -5.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 -4.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4807 -5.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0310 -6.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7451 -9.2189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0331 -8.8077 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4442 -8.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6219 -9.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3210 -8.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4572 -8.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4572 -7.9855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13 14 1 0 0 0 0 12 15 2 0 0 0 0 6 16 1 0 0 0 0 9 16 1 0 0 0 0 10 14 2 0 0 0 0 1 22 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 1 6 1 0 0 0 0 4 7 1 0 0 0 0 3 8 1 0 0 0 0 2 9 1 0 0 0 0 10 15 1 0 0 0 0 10 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 22 23 2 0 0 0 0 17 22 1 0 0 0 0 G 22 1 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 17 18 19 20 21 22 23 M SBL 1 1 6 M SMT 1 Boc M SBV 1 6 -0.0200 0.9700 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD03095429 > F > 94866 > - > - > - > - $$$$ 23 24 0 0 0 0 0 0 0 0 1 V2000 4.9495 -7.2269 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5512 -6.7255 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7976 -5.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1871 -7.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5138 -5.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7513 -6.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 -4.7689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2333 -6.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2618 -6.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1432 -7.8684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8435 -4.3219 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.4797 -6.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2300 -6.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2329 -4.3964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9463 -5.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9492 -4.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2458 -8.4688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5337 -8.0577 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9448 -7.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1226 -8.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8216 -7.6466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9578 -8.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9578 -7.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 9 12 1 0 0 0 0 15 16 2 0 0 0 0 1 22 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 5 7 1 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 4 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 5 13 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 22 23 2 0 0 0 0 17 22 1 0 0 0 0 G 22 1 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 17 18 19 20 21 22 23 M SBL 1 1 6 M SMT 1 Boc M SBV 1 6 -0.0100 0.8300 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD03095443 > F > 90682 > - > - > - > - $$$$ 23 24 0 0 0 0 0 0 0 0 1 V2000 4.9495 -7.2269 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5512 -6.7255 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7976 -5.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1871 -7.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5138 -5.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7513 -6.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 -4.7689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2333 -6.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2618 -6.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1432 -7.8684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8435 -4.3219 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4797 -6.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2300 -6.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2329 -4.3964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9463 -5.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9492 -4.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2458 -8.4688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5337 -8.0577 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9448 -7.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1226 -8.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8216 -7.6466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9578 -8.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9578 -7.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 9 12 1 0 0 0 0 15 16 2 0 0 0 0 1 22 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 5 7 1 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 4 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 5 13 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 22 23 2 0 0 0 0 17 22 1 0 0 0 0 G 22 1 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 17 18 19 20 21 22 23 M SBL 1 1 6 M SMT 1 Boc M SBV 1 6 -0.0100 0.8300 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD03095444 > F > 90683 > - > - > - > - $$$$ 23 24 0 0 0 0 0 0 0 0 1 V2000 4.9495 -7.2269 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5512 -6.7255 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7976 -5.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1871 -7.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5138 -5.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7513 -6.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 -4.7689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2333 -6.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2618 -6.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1432 -7.8684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4797 -6.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2300 -6.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2329 -4.3964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9463 -5.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9492 -4.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6583 -6.0750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2458 -8.4688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5337 -8.0577 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9448 -7.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1226 -8.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8216 -7.6466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9578 -8.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9578 -7.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13 15 1 0 0 0 0 9 11 1 0 0 0 0 14 15 2 0 0 0 0 1 22 1 0 0 0 0 14 16 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 5 7 1 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 4 10 1 0 0 0 0 8 11 1 0 0 0 0 5 12 2 0 0 0 0 7 13 2 0 0 0 0 12 14 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 22 23 2 0 0 0 0 17 22 1 0 0 0 0 G 22 1 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 17 18 19 20 21 22 23 M SBL 1 1 4 M SMT 1 Boc M SBV 1 4 -0.0100 0.8300 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD03095445 > F > 90684 > - > - > - > - $$$$ 16 16 0 0 1 0 0 0 0 0 1 V2000 5.3910 -6.4048 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0815 -6.0382 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8150 -6.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8150 -7.2184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5055 -6.0382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7008 -6.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0815 -5.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7008 -5.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3910 -4.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6812 -7.6897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9691 -7.2785 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3802 -6.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5580 -7.9906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2570 -6.8674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3932 -7.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3932 -6.4563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 9 1 0 0 0 0 1 15 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 6 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 15 16 2 0 0 0 0 10 15 1 0 0 0 0 G 15 1 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 10 11 12 13 14 15 16 M SBL 1 1 8 M SMT 1 Boc M SBV 1 8 -0.0100 0.8700 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD00237380 > A > 516341 > F > 75748 > - > - $$$$ 22 23 0 0 0 0 0 0 0 0 1 V2000 5.4216 -7.4357 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0806 -6.9858 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8597 -7.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6565 -6.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4786 -6.6964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7656 -6.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0260 -8.0114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8341 -6.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4501 -5.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0118 -6.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0260 -5.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6681 -5.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4646 -4.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8196 -4.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0405 -4.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7456 -8.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0335 -8.1532 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4446 -7.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6224 -8.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3214 -7.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4577 -8.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4577 -7.3309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11 14 1 0 0 0 0 13 15 1 0 0 0 0 8 10 1 0 0 0 0 14 15 2 0 0 0 0 1 21 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 1 6 1 0 0 0 0 3 7 1 0 0 0 0 2 8 1 0 0 0 0 4 9 1 0 0 0 0 6 10 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 21 22 2 0 0 0 0 16 21 1 0 0 0 0 G 21 1 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 16 17 18 19 20 21 22 M SBL 1 1 5 M SMT 1 Boc M SBV 1 5 -0.0300 0.7200 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD03095483 > F > 52969 > - > - > - > - $$$$ 26 29 0 0 1 0 0 0 0 0 1 V2000 5.2561 -6.4208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9692 -6.0054 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6878 -6.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6836 -7.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4022 -6.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -6.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9692 -5.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -5.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2561 -4.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2297 -5.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8186 -6.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3688 -7.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1199 -6.8347 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0340 -6.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5842 -5.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3301 -4.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5258 -4.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9756 -5.0640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0143 -6.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7603 -7.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3104 -8.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1147 -7.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -7.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5441 -6.8347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2561 -7.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9682 -6.8347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 9 1 0 0 0 0 1 25 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 6 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 10 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 G 25 1 Fmoc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 M SAL 1 2 25 26 M SBL 1 1 2 M SMT 1 Fmoc M SBV 1 2 0.0000 0.8300 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD00235899 > F > 73418 > - > - > - > - $$$$ 26 28 0 0 0 0 0 0 0 0 1 V2000 -1.1567 -1.1079 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.5235 -0.5980 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0723 -0.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2471 -0.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1051 0.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4878 1.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4249 -1.6580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3103 2.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8384 -0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7842 0.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8432 -0.3173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8787 0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6063 0.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0994 1.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2613 1.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5033 2.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9061 2.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8573 1.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6767 2.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4332 -2.3413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2789 -1.9302 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6900 -2.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1322 -1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 -1.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1452 -1.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8573 -2.3413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6 8 1 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 9 13 1 0 0 0 0 12 14 2 0 0 0 0 6 15 1 0 0 0 0 8 16 2 0 0 0 0 8 17 1 0 0 0 0 15 18 2 0 0 0 0 18 19 1 0 0 0 0 10 13 1 0 0 0 0 14 16 1 0 0 0 0 17 19 2 0 0 0 0 1 25 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 6 5 2 0 0 0 0 4 7 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 25 26 2 0 0 0 0 20 25 1 0 0 0 0 G 25 1 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 20 21 22 23 24 25 26 M SBL 1 1 16 M SMT 1 Boc M SBV 1 16 -0.0100 0.8200 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD03095512 > F > 36748 > - > - > - > - $$$$ 16 16 0 0 0 0 0 0 0 0 1 V2000 5.4567 -6.4294 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1230 -5.9471 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8923 -6.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5229 -5.7109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7884 -5.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0367 -7.0462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8666 -5.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4970 -5.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0539 -5.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7428 -7.6681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0308 -7.2570 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4419 -6.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6196 -7.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3187 -6.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4549 -7.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4549 -6.4347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 1 5 1 0 0 0 0 3 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 5 9 1 0 0 0 0 7 9 1 0 0 0 0 1 15 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 15 16 2 0 0 0 0 10 15 1 0 0 0 0 G 15 1 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 10 11 12 13 14 15 16 M SBL 1 1 8 M SMT 1 Boc M SBV 1 8 0.0000 0.8300 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD03095494 > F > 68691 > - > - > - > - $$$$ 18 18 0 0 0 0 0 0 0 0 1 V2000 -0.7264 -0.4203 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.0905 0.0524 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7260 -0.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3191 0.3761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3278 1.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9238 1.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4111 0.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5055 0.6111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9037 -0.9704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 0.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1389 0.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7121 -1.2426 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1232 -1.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 -0.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4241 -0.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7121 -1.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4241 -1.6537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 2 10 1 0 0 0 0 7 11 1 0 0 0 0 10 11 1 0 0 0 0 1 17 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 5 8 1 0 0 0 0 5 6 2 0 0 0 0 1 7 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 17 18 2 0 0 0 0 12 17 1 0 0 0 0 G 17 1 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 12 13 14 15 16 17 18 M SBL 1 1 6 M SMT 1 Boc M SBV 1 6 -0.0100 0.8300 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD03095490 > F > 58147 > - > - > - > - $$$$ 12 11 0 0 1 0 0 0 0 0 1 V2000 5.3527 -5.5497 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0032 -5.0626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7767 -5.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7596 -4.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9398 -6.1197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7023 -5.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9861 -4.2891 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4991 -3.6387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9870 -6.8123 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1583 -6.8042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4388 -4.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1509 -5.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 6 0 0 0 4 7 1 0 0 0 0 3 11 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 1 0 0 0 9 10 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 11 12 1 0 0 0 0 G 11 3 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 11 12 M SBL 1 1 5 M SMT 1 OCH3 M SBV 1 5 -0.6600 -0.5400 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD03453214 > F > 30681 > - > - > - > - $$$$ 20 21 0 0 1 0 0 0 0 0 1 V2000 3.8167 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -2.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -3.6458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0333 -3.1833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1708 -3.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -4.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -2.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7208 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -4.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3458 -3.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7333 -3.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1875 -2.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7958 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5083 -3.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1208 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -5.0583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -5.0542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 1 0 0 0 5 2 1 0 0 0 0 6 1 2 0 0 0 0 7 8 2 0 0 0 0 8 5 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 5 2 0 0 0 0 12 3 1 0 0 0 0 13 7 1 0 0 0 0 14 4 1 0 0 0 0 15 9 1 0 0 0 0 16 14 1 0 0 0 0 17 13 2 0 0 0 0 18 15 2 0 0 0 0 16 12 1 0 0 0 0 9 7 1 0 0 0 0 18 17 1 0 0 0 0 19 20 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD00038937 > F > 81742 > - > - > - > - $$$$ 23 24 0 0 1 0 0 0 0 0 1 V2000 5.7120 -4.6177 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5329 -4.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4863 -5.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1716 -5.8658 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.8084 -5.3651 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6059 -5.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2052 -5.0396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7960 -6.4059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1363 -4.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3419 -4.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7703 -3.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9836 -2.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4080 -2.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6010 -2.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3907 -3.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9746 -3.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9522 -7.0707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2143 -6.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5227 -7.1374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9901 -7.8949 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7228 -8.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2954 -8.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7708 -8.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 1 9 1 6 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 11 16 1 0 0 0 0 4 18 1 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 18 19 2 0 0 0 0 17 18 1 0 0 0 0 3 4 1 0 0 0 0 17 20 1 0 0 0 0 4 5 1 0 0 0 0 20 21 1 0 0 0 0 2 5 1 0 0 0 0 20 22 1 0 0 0 0 5 6 1 1 0 0 0 20 23 1 0 0 0 0 G 18 4 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 17 18 19 20 21 22 23 M SBL 1 1 12 M SDI 1 4 5.9900 -6.4200 6.4000 -6.4000 M SMT 1 Boc M SBV 1 12 -0.0400 0.8200 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD00037325 > F > 15535 > - > - > - > - $$$$ 18 18 0 0 0 0 0 0 0 0 1 V2000 3.6944 -7.5313 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.3878 -7.0413 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1239 -7.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7370 -6.7548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0413 -7.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2873 -8.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1040 -6.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9608 -6.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3249 -6.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7173 -5.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2873 -5.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0288 -8.8426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3168 -8.4315 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7279 -7.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9057 -9.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6047 -8.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7409 -8.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7409 -7.6093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 1 5 1 0 0 0 0 3 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 5 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 7 9 1 0 0 0 0 1 17 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 17 18 2 0 0 0 0 12 17 1 0 0 0 0 G 17 1 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 12 13 14 15 16 17 18 M SBL 1 1 12 M SMT 1 Boc M SBV 1 12 -0.0400 0.9000 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD03095431 > F > 95566 > - > - > - > - $$$$ 23 24 0 0 0 0 0 0 0 0 1 V2000 5.4352 -7.8246 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0883 -7.3750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8677 -7.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6613 -6.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0308 -8.3947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7819 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4579 -6.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4377 -7.0052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8448 -6.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0082 -4.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8048 -3.6533 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6814 -5.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0308 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8247 -4.6332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4352 -5.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0254 -6.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7156 -9.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0035 -8.6806 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4146 -7.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5924 -9.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2915 -8.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4277 -8.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4277 -7.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13 14 1 0 0 0 0 12 15 2 0 0 0 0 6 16 1 0 0 0 0 9 16 1 0 0 0 0 10 14 2 0 0 0 0 1 22 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 1 6 1 0 0 0 0 4 7 1 0 0 0 0 3 8 1 0 0 0 0 2 9 1 0 0 0 0 10 15 1 0 0 0 0 10 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 22 23 2 0 0 0 0 17 22 1 0 0 0 0 G 22 1 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 17 18 19 20 21 22 23 M SBL 1 1 6 M SMT 1 Boc M SBV 1 6 0.0100 0.8500 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD03095461 > F > 74082 > - > - > - > - $$$$ 16 16 0 0 1 0 0 0 0 0 1 V2000 5.2504 -6.4134 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9409 -6.0065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6744 -6.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6314 -7.2270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3649 -6.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5573 -6.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9810 -5.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5573 -5.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2907 -4.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9625 -7.6381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6746 -7.2270 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0857 -7.9390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2635 -6.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3866 -6.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2504 -7.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5384 -7.6381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 7 9 1 0 0 0 0 1 15 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 1 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 15 16 2 0 0 0 0 10 15 1 0 0 0 0 G 15 1 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 10 11 12 13 14 15 16 M SBL 1 1 8 M SMT 1 Boc M SBV 1 8 0.0000 0.8100 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD00151904 > A > 516368 > F > 15558 > - > - $$$$ 16 16 0 1 0 1 V2000 -0.9586 -0.0172 0.0000 N 0 0 3 0 0 0 0 0 0 -0.8414 1.3931 0.0000 C 0 0 1 0 0 0 0 0 0 -2.3517 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0.1138 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1586 1.9655 0.0000 C 0 0 0 0 0 0 0 0 0 0.3793 2.1276 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0862 0.9172 0.0000 C 0 0 1 0 0 0 0 0 0 1.4655 -0.4862 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1586 -2.3621 0.0000 O 0 0 0 0 0 0 0 0 0 1.6241 1.4241 0.0000 O 0 0 0 0 0 0 0 0 0 0.3793 3.6138 0.0000 O 0 0 0 0 0 0 0 0 0 -4.5138 1.0586 0.0000 O 0 0 0 0 0 0 0 0 0 2.3586 -1.6103 0.0000 C 0 0 3 0 0 0 0 0 0 3.7103 -1.1448 0.0000 C 0 0 0 0 0 0 0 0 0 2.7000 -2.9966 0.0000 C 0 0 0 0 0 0 0 0 0 1.3241 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 4 8 1 0 0 0 4 9 2 0 0 0 6 10 1 0 0 0 6 11 2 0 0 0 7 12 1 6 0 0 8 13 1 0 0 0 13 14 1 0 0 0 13 15 1 0 0 0 13 16 1 0 0 0 5 7 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD00053370 > A > 518360 > F > 15544 > - > - $$$$ 9 9 0 0 1 0 0 0 0 0 1 V2000 6.7083 -6.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2458 -7.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 -6.6625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3167 -6.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -7.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -5.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8375 -5.8792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3518 -5.2123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 1 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD00064319 > F > 56248 > S > H1637 > - > - $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.2599 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 1.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 1.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3819 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3819 0.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 -1.0096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 1 1 0 6 2 1 0 7 6 1 0 6 8 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD00005214 > A > 862126 > F > 30900 > - > - $$$$ 8 8 0 0 1 0 0 0 0 0 1 V2000 6.7458 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9708 -6.3000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2875 -6.8083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3208 -5.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -5.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8625 -5.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 -7.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 8 6 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD00065964 > F > 30890 > S > D4893 > - > - $$$$ 9 9 0 0 1 0 0 0 0 0 1 V2000 6.7083 -6.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2458 -7.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 -6.6625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3167 -6.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -7.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -5.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8375 -5.8792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3518 -5.2123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 1 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 6 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD00064320 > A > H54409 > F > 56250 > S > H5534 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.4266 0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4266 0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7133 -0.4110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0029 0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0029 0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7133 1.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7133 -0.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4266 0.0015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7133 -1.2363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 1 6 1 0 4 7 1 1 7 8 1 0 7 9 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD00005981 > A > 237752 > F > 80615 > S > P2519 $$$$ 19 20 0 0 1 0 0 0 0 0 1 V2000 -0.2500 0.9792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.0833 2.5042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8792 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2458 3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5375 3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 0.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5958 -1.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5583 1.9583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2458 4.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 2.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5208 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1042 2.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2375 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -3.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 -4.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -5.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 3 2 0 0 0 0 9 6 1 0 0 0 0 10 4 2 0 0 0 0 11 4 1 0 0 0 0 12 7 1 0 0 0 0 9 13 1 6 0 0 0 14 12 1 0 0 0 0 15 14 1 0 0 0 0 16 14 2 0 0 0 0 17 15 2 0 0 0 0 18 16 1 0 0 0 0 19 18 2 0 0 0 0 5 9 1 0 0 0 0 17 19 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16277100 > MFCD00037329 > F > 96310 > - > - > - > - $$$$