23 25 0 0 0 0 0 0 0 0 1 V2000 4.4415 -3.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1789 -2.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7789 -2.4765 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9935 -3.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4789 -3.3997 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9644 -3.0471 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 6.1711 -2.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4789 -3.9977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7712 -1.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0690 -1.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7668 -0.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1669 -0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8690 -1.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9593 -4.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9593 -4.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4789 -5.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9985 -4.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9985 -4.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2711 -1.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0803 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5163 -3.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4789 -5.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0723 -2.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 3 1 0 0 0 0 5 8 1 0 0 0 0 7 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 7 1 0 0 0 0 8 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 18 8 1 0 0 0 0 14 1 1 0 0 0 0 13 19 1 0 0 0 0 11 20 1 0 0 0 0 18 21 1 0 0 0 0 16 22 1 0 0 0 0 9 23 1 0 0 0 0 3 7 1 0 0 0 0 M RAD 1 6 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD09265338 > ALDRICH > 696188 > - > - > - > - > 16247085 $$$$ 27 28 0 0 0 0 0 0 0 0 1 V2000 9.6448 -7.3375 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 7.3465 -7.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5784 -7.2913 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.8716 -6.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2493 -7.4004 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5592 -8.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3841 -8.0978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4316 -7.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1218 -6.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3041 -6.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7962 -7.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1061 -7.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9238 -7.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2329 -8.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9723 -6.9421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6373 -5.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9769 -7.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7492 -7.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8951 -6.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2604 -5.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4882 -6.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8593 -5.6573 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.8356 -8.3425 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4687 -8.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0653 -8.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0855 -5.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0086 -4.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 3 1 0 0 0 0 5 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 13 14 1 0 0 0 0 11 15 1 0 0 0 0 9 16 1 0 0 0 0 2 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 2 1 0 0 0 0 21 22 1 0 0 0 0 17 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 22 26 1 0 0 0 0 22 27 1 0 0 0 0 M CHG 2 1 -1 3 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD08276860 > ALDRICH > 665045 > - > - > - > - > 16247085 $$$$ 18 19 0 0 0 0 0 0 0 0 1 V2000 2.6776 0.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4090 0.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5842 0.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3430 0.8852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0188 1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9084 -0.3770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2495 0.1195 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5181 0.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5367 -0.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2512 0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9657 -0.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9657 -0.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2512 -1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5367 -0.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2512 1.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1753 -1.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6776 -1.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1025 1.3086 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 1 1 0 0 0 3 6 2 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 4 1 0 0 0 7 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 9 1 0 0 0 10 15 1 0 0 0 14 16 1 0 0 0 12 17 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > A_____688487 > ALDRICH > 688487 > - > - > - > - > 16247085 $$$$ 16 15 0 0 0 0 0 0 0 0 1 V2000 0.9085 -0.1220 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 0.6535 -0.9066 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1238 0.1329 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6931 -0.3769 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1634 0.6626 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3852 0.5485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6453 -0.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9811 -0.7238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3104 -0.2433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5602 0.5502 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9811 -1.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2691 -1.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6931 -1.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0726 1.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 1.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 1.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 6 1 0 8 11 1 0 11 12 1 0 11 13 1 0 10 14 1 0 14 15 1 0 14 16 1 0 M CHG 2 1 -1 10 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 1 2 3 4 5 M SMT 1 BF4- M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 11 12 13 M SBL 2 1 10 M SMT 2 i-Pr M SBV 2 10 0.0000 0.8250 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 3 14 15 16 M SBL 3 1 13 M SMT 3 i-Pr M SBV 3 13 -0.4876 -0.6547 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD08276804 > ALDRICH > 660019 > - > - > - > - > 16247085 $$$$ 20 21 0 0 0 0 0 0 0 0 1 V2000 -1.4694 0.1164 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2058 0.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2782 -0.0462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8234 0.5730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5599 1.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7511 1.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3809 0.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1346 0.1018 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8073 -0.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6825 -0.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6825 -1.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3970 -1.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1114 -1.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1114 -0.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3970 0.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3970 0.9548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0295 -1.5159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8234 -1.5159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5417 -0.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 1.4647 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 2 1 0 2 7 2 0 7 8 1 0 8 9 2 0 9 1 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 10 2 0 15 16 1 0 11 17 1 0 13 18 1 0 8 10 1 0 3 19 1 0 M CHG 2 8 1 20 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > A_____682209 > ALDRICH > 682209 > - > - > - > - > 16247085 $$$$ 34 35 0 0 0 0 0 0 0 0 1 V2000 -1.8251 0.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0001 0.6369 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0800 -0.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4126 -0.6326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7451 -0.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2856 1.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4126 -1.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4289 0.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1433 1.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1433 1.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4289 2.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2856 1.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1270 -1.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1270 -2.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4126 -3.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6981 -2.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6981 -1.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9976 2.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7096 1.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9976 3.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0139 -1.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0139 -0.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7259 -1.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4289 -0.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1409 -0.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2831 -0.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8390 -1.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5510 -1.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8390 -0.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7289 -0.1983 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 2.7289 -1.0205 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9068 -0.1983 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7289 0.6238 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5510 -0.1983 0.0000 F 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 2 0 2 6 1 0 4 7 1 0 6 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 6 1 0 7 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 7 1 0 18 19 1 0 18 20 1 0 12 18 1 0 21 22 1 0 21 23 1 0 17 21 1 0 24 25 1 0 24 26 1 0 8 24 1 0 27 28 1 0 27 29 1 0 13 27 1 0 30 31 1 0 30 32 1 0 30 33 1 0 30 34 1 0 M CHG 2 2 1 30 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 18 19 20 M SBL 1 1 22 M SMT 1 ^i-Pr M SBV 1 22 0.7120 -0.4111 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 21 22 23 M SBL 2 1 25 M SMT 2 i-Pr M SBV 2 25 -0.7120 -0.4110 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 3 24 25 26 M SBL 3 1 28 M SMT 3 i-Pr M SBV 3 28 0.0000 0.8221 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 3 27 28 29 M SBL 4 1 31 M SMT 4 ^i-Pr M SBV 4 31 0.7120 -0.4110 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 5 30 31 32 33 34 M SMT 5 BF4- M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03412153 > ALDRICH > 693553 > - > - > - > - > 16247085 $$$$ 28 29 0 0 0 0 0 0 0 0 1 V2000 8.4746 -3.1479 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 8.4746 -2.5479 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.0746 -3.1479 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4746 -3.7479 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.8746 -3.1479 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1732 -1.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7482 -2.4661 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1482 -2.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9628 -3.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4482 -3.3894 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9336 -3.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4438 -4.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9259 -4.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9259 -4.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4438 -5.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9618 -4.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9618 -4.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7732 -1.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0732 -1.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7732 -0.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1732 -0.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8732 -1.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4804 -4.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4072 -4.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2753 -1.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0722 -2.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0722 -0.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4438 -5.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 7 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 6 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 6 1 0 0 0 0 17 23 1 0 0 0 0 13 24 1 0 0 0 0 22 25 1 0 0 0 0 18 26 1 0 0 0 0 20 27 1 0 0 0 0 15 28 1 0 0 0 0 M CHG 2 1 -1 7 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD02684542 > ALDRICH > 693545 > - > - > - > - > 16247085 $$$$ 25 28 0 0 0 0 0 0 0 0 1 V2000 9.7911 -5.4394 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9402 -5.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2413 -6.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4432 -5.9682 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3567 -5.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6792 -4.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8670 -4.4744 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1423 -5.6857 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6983 -6.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0552 -4.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3951 -6.0247 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.7007 -5.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0660 -6.1004 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3675 -6.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1883 -6.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2483 -5.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9468 -5.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1333 -5.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6129 -5.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9186 -6.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7363 -6.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0371 -7.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7889 -5.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4700 -4.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5448 -6.9083 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 6 7 1 0 0 0 0 2 8 1 0 0 0 0 4 9 1 0 0 0 0 7 10 1 0 0 0 0 10 8 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 11 1 0 0 0 0 13 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 16 1 0 0 0 0 21 22 1 0 0 0 0 19 23 1 0 0 0 0 17 24 1 0 0 0 0 M CHG 2 11 1 25 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD08276859 > ALDRICH > 665029 > - > - > - > - > 16247085 $$$$ 16 15 0 0 0 0 0 0 0 0 1 V2000 0.9085 -0.1220 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 0.6535 -0.9066 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1238 0.1329 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6931 -0.3769 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1634 0.6626 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3852 0.5485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6453 -0.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9811 -0.7238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3104 -0.2433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5602 0.5502 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9811 -1.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2691 -1.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6931 -1.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0726 1.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 1.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 1.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 6 1 0 8 11 1 0 11 12 1 0 11 13 1 0 10 14 1 0 14 15 1 0 14 16 1 0 M CHG 2 1 -1 10 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 1 2 3 4 5 M SMT 1 BF4- M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 11 12 13 M SBL 2 1 10 M SMT 2 i-Pr M SBV 2 10 0.0000 0.8250 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 3 14 15 16 M SBL 3 1 13 M SMT 3 i-Pr M SBV 3 13 -0.4876 -0.6547 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD08276803 > ALDRICH > 660000 > - > - > - > - > 16247085 $$$$ 22 23 0 0 0 0 0 0 0 0 1 V2000 -1.5436 0.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8397 -0.4362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1687 0.0438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4179 0.8303 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2429 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8397 -1.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5541 -1.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5541 -2.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8397 -2.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1252 -2.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1252 -1.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 2.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3145 2.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 1.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 1.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3355 2.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 2.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7291 -0.6895 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 0.7291 0.1355 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0959 -0.6895 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7291 -1.5145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5541 -0.6895 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 1 2 0 0 0 2 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 6 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 12 1 0 0 0 4 14 1 0 0 0 18 19 1 0 0 0 18 20 1 0 0 0 18 21 1 0 0 0 18 22 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD04973310 > ALDRICH > 666181 > - > - > - > - > 16247085 $$$$ 22 24 0 0 0 0 0 0 0 0 1 V2000 4.7575 -2.7459 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 3.2706 -2.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8210 -3.1591 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1336 -2.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7698 -2.1951 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2592 -2.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7567 -2.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2745 -2.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2751 -3.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7580 -3.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7745 -1.6083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2824 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2824 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7745 -0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3125 -4.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3125 -4.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8204 -4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3282 -4.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3282 -4.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8204 -3.7375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11 12 1 0 0 0 0 2 3 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 2 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 5 13 1 0 0 0 0 17 18 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 2 1 0 0 0 0 3 4 1 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 3 22 1 0 0 0 0 M CHG 2 1 -1 5 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD08705248 > ALDRICH > 673404 > - > - > - > - > 16247085 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 4.7990 -2.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3990 -2.5833 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6135 -3.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0990 -3.5066 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5844 -3.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1040 -3.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6236 -3.1540 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.1040 -4.0519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7504 -2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0990 -4.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 2 2 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 6 8 2 0 0 0 0 2 9 1 0 0 0 0 4 10 1 0 0 0 0 M CHG 2 2 1 7 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD07636581 > ALDRICH > 668400 > - > - > - > - > 16247085 $$$$ 29 31 0 0 0 0 0 0 0 0 1 V2000 -0.6213 0.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2037 0.6369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8762 -0.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2088 -0.6326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4587 -0.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9182 1.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2088 -1.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6327 0.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3471 1.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3471 1.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6327 2.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9182 1.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9231 -1.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9231 -2.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2088 -3.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5057 -2.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5057 -1.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2177 -1.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2177 -0.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9297 -1.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2062 2.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5058 1.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2062 3.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6327 -0.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3447 -0.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9207 -0.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6351 -1.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3471 -1.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6351 -0.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 3 4 1 0 4 5 1 0 5 2 1 0 2 6 1 0 4 7 1 0 6 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 6 1 0 7 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 7 1 0 18 19 1 0 18 20 1 0 17 18 1 0 21 22 1 0 21 23 1 0 12 21 1 0 24 25 1 0 24 26 1 0 8 24 1 0 27 28 1 0 27 29 1 0 13 27 1 0 M RAD 1 5 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 18 19 20 M SBL 1 1 22 M SMT 1 i-Pr M SBV 1 22 -0.7120 -0.4110 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 21 22 23 M SBL 2 1 25 M SMT 2 ^i-Pr M SBV 2 25 0.7120 -0.4111 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 3 24 25 26 M SBL 3 1 28 M SMT 3 i-Pr M SBV 3 28 0.0000 0.8221 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 3 27 28 29 M SBL 4 1 31 M SMT 4 ^i-Pr M SBV 4 31 0.7120 -0.4110 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD07781991 > ALDRICH > 696196 > - > - > - > - > 16247085 $$$$ 21 23 0 0 0 0 0 0 0 0 1 V2000 -2.6831 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2706 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4456 -0.3572 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0331 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4456 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2706 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5081 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9206 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5081 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6831 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8935 -0.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1399 -0.6348 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2261 0.1857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5721 -1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2841 -0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9986 -1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7131 -0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7131 0.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9986 0.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2841 0.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9206 -0.3871 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 2 1 0 3 11 1 0 11 12 2 0 12 13 1 0 13 4 2 0 12 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 15 1 0 M CHG 2 12 1 21 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > A_____682039 > ALDRICH > 682039 > - > - > - > - > 16247085 $$$$ 30 36 0 0 0 0 0 0 0 0 1 V2000 4.8033 -2.7459 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 3.5684 -4.5999 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5677 -3.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0684 -3.8624 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5768 -3.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5774 -4.5377 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2056 -4.1239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9980 -4.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2056 -4.8362 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9258 -5.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7665 -5.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3206 -3.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9252 -3.2133 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.2920 -2.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8656 -2.1576 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3092 -2.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7609 -2.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2328 -2.4442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2335 -3.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7622 -3.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7853 -1.2797 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7744 -0.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3009 -0.5319 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7707 -0.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7778 -1.1964 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1276 -1.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3538 -1.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1168 -1.5518 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4188 -1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5771 -1.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 8 2 1 0 0 0 0 7 9 1 0 0 0 0 6 10 1 0 0 0 0 10 9 1 0 0 0 0 9 11 1 0 0 0 0 11 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 12 13 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 12 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 12 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 23 26 1 0 0 0 0 25 27 1 0 0 0 0 27 21 1 0 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 29 28 1 0 0 0 0 28 30 1 0 0 0 0 30 21 1 0 0 0 0 28 15 1 0 0 0 0 4 13 1 0 0 0 0 13 14 1 0 0 0 0 M CHG 2 1 -1 15 1 M END > (C) 2008 SIGMA-ALDRICH CO. > A_____673188 > ALDRICH > 673188 > - > - > - > - > 16247085 $$$$ 24 25 0 0 0 0 0 0 0 0 1 V2000 2.6350 0.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3801 -0.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5552 -0.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3002 0.2391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9676 0.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8878 -1.0303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2204 -0.5454 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4753 0.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 -0.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 -1.7829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2085 -2.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 -1.7829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 -0.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2085 -0.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2085 0.2767 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6350 -0.5469 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6350 -2.1940 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2085 -3.0176 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 -2.1940 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6344 2.1926 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8094 2.1926 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 -0.8094 3.0176 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8094 1.3676 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0156 2.1926 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 1 1 0 0 0 3 6 2 0 0 0 7 8 2 0 0 0 9 7 1 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 9 2 0 0 0 14 15 1 0 0 0 13 16 1 0 0 0 12 17 1 0 0 0 11 18 1 0 0 0 10 19 1 0 0 0 8 4 1 0 0 0 7 6 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 21 23 1 0 0 0 21 24 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD08459335 > ALDRICH > 683701 > - > - > - > - > 16247085 $$$$ 12 11 0 0 0 0 0 0 0 0 1 V2000 1.2988 -0.1300 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 -0.9909 0.5485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2511 -0.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5868 -0.7238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0838 -0.2433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 0.5502 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3217 1.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0038 1.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1382 1.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5868 -1.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1251 -1.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2988 -1.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 2 0 6 2 1 0 6 7 1 0 7 8 1 0 7 9 1 0 4 10 1 0 10 11 1 0 10 12 1 0 M CHG 2 1 -1 6 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 7 8 9 M SBL 1 1 6 M SMT 1 i-Pr M SBV 1 6 -0.4876 -0.6547 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 10 11 12 M SBL 2 1 9 M SMT 2 i-Pr M SBV 2 9 0.0000 0.8250 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03840577 > ALDRICH > 656577 > - > - > - > - > 16247085 $$$$ 23 23 0 0 0 0 0 0 0 0 1 V2000 1.6828 -0.6297 0.0000 P 0 5 0 0 0 0 0 0 0 0 0 0 1.6828 -1.4519 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9708 -0.2186 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3949 -0.2186 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6828 0.1925 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3949 -1.0408 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9708 -1.0408 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 0.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 0.6341 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.3949 -0.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7275 -0.6355 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 -0.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7275 -1.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0155 -1.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3035 -1.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4085 -1.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6005 1.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 0.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8285 0.2216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5429 0.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5429 1.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8285 1.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 1.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 1 7 1 0 8 9 1 0 8 10 2 0 10 11 1 0 11 12 1 0 12 9 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 17 9 1 0 18 17 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 18 1 0 M CHG 2 1 -1 9 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 1 2 3 4 5 6 7 M SMT 1 PF6- M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD09265040 > ALDRICH > 669121 > - > - > - > - > 16247085 $$$$ 18 17 0 0 0 0 0 0 0 0 1 V2000 -1.3952 0.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6379 0.8027 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4628 0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7300 0.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0702 -0.4811 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1494 1.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8108 1.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 2.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4881 0.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0747 -1.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2526 -1.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0792 -2.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8968 -1.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0718 0.3665 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 2.1038 1.1909 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2468 0.3665 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0718 -0.4585 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8968 0.3665 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 1 1 0 2 6 1 0 6 7 1 0 6 8 1 0 6 9 1 0 5 10 1 0 10 11 1 0 10 12 1 0 10 13 1 0 14 15 1 0 14 16 1 0 14 17 1 0 14 18 1 0 M CHG 2 2 1 14 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 6 7 8 9 M SBL 1 1 6 M SMT 1 t-Bu M SBV 1 6 -0.4884 -0.6613 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 10 11 12 13 M SBL 2 1 10 M SMT 2 t-Bu M SBV 2 10 0.0045 0.8221 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 5 14 15 16 17 18 M SMT 3 BF4- M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD07784425 > ALDRICH > 659983 > - > - > - > - > 16247085 $$$$ 29 30 0 0 0 0 0 0 0 0 1 V2000 3.1994 -2.7699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1994 -3.3699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7190 -3.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2386 -3.3699 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.2386 -2.7699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7190 -2.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8093 -3.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1619 -3.0699 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.8093 -2.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7190 -4.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7619 -3.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 -3.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6619 -3.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9619 -3.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6619 -2.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 -2.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7619 -2.0306 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9066 -4.1690 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1619 -2.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 -1.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3066 -4.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2066 -4.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1859 -3.0083 0.0000 P 0 5 0 0 0 0 0 0 0 0 0 0 7.8870 -2.4905 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4849 -2.4905 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.7839 -3.0083 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4849 -3.5261 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.8870 -3.5261 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5880 -3.0083 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 5 2 0 0 0 0 3 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 16 17 1 0 0 0 0 12 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 23 27 1 0 0 0 0 23 28 1 0 0 0 0 23 29 1 0 0 0 0 M CHG 2 8 1 23 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD09842842 > ALDRICH > 686549 > - > - > - > - > 16247085 $$$$ 18 17 0 0 0 0 0 0 0 0 1 V2000 -0.3353 0.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 0.8027 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4029 0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6701 0.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0103 -0.4811 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0148 -1.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1927 -1.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0193 -2.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8369 -1.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0119 0.1373 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 1.0439 0.9617 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1869 0.1373 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0119 -0.6877 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8369 0.1373 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0895 1.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7509 1.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3989 2.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5718 0.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 6 7 1 0 6 8 1 0 6 9 1 0 5 6 1 0 10 11 1 0 10 12 1 0 10 13 1 0 10 14 1 0 15 16 1 0 15 17 1 0 15 18 1 0 2 15 1 0 M CHG 2 2 1 10 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 6 7 8 9 M SBL 1 1 9 M SMT 1 t-Bu M SBV 1 9 0.0045 0.8221 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 5 10 11 12 13 14 M SMT 2 BF4- M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 15 16 17 18 M SBL 3 1 17 M SMT 3 t-Bu M SBV 3 17 -0.4885 -0.6613 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD08276802 > ALDRICH > 659991 > - > - > - > - > 16247085 $$$$ 30 31 0 0 0 0 0 0 0 0 1 V2000 3.2409 -0.6179 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 -0.2735 1.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 0.7980 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5111 0.7980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7660 0.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0986 -0.4715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 0.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1046 -1.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8168 -1.7080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8168 -2.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1046 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3922 -2.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3922 -1.7080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5515 1.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9641 2.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5515 2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2735 2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 2.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3209 -1.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -0.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0318 -1.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5299 -1.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5082 2.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9627 0.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9627 -0.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7877 0.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5321 -0.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2409 -1.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9193 1.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9193 2.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 3 2 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 2 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 2 1 0 13 19 1 0 19 20 1 0 19 21 1 0 9 22 1 0 18 23 1 0 14 24 1 0 24 25 1 0 24 26 1 0 22 27 1 0 22 28 1 0 23 29 1 0 23 30 1 0 M CHG 2 1 -1 3 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD07369796 > ALDRICH > 656623 > - > - > - > - > 16247085 $$$$ 27 29 0 0 0 0 0 0 0 0 1 V2000 -2.8668 0.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4543 -0.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 -0.4090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2168 0.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4543 1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6918 0.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1043 -0.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6918 -1.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8668 -1.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0772 -1.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3235 -0.6865 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4098 0.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3884 -1.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1004 -0.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8149 -1.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5294 -0.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5294 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8149 0.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1004 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3923 0.3013 0.0000 P 0 5 0 0 0 0 0 0 0 0 0 0 3.3923 -0.5208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6803 0.7124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1043 0.7124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3923 1.1235 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1043 -0.1097 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6803 -0.1097 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 2 1 0 3 11 1 0 11 12 2 0 12 13 1 0 13 4 2 0 12 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 15 1 0 21 22 1 0 21 23 1 0 21 24 1 0 21 25 1 0 21 26 1 0 21 27 1 0 M CHG 2 12 1 21 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 21 22 23 24 25 26 27 M SMT 1 PF6- M END > (C) 2008 SIGMA-ALDRICH CO. > A_____682020 > ALDRICH > 682020 > - > - > - > - > 16247085 $$$$ 30 35 0 0 0 0 0 0 0 0 1 V2000 6.1117 -3.4500 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 6.1117 -2.7800 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1117 -4.1500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4617 -3.4500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7817 -3.4500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8842 -2.2675 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8842 -1.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1942 -2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5142 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9842 -1.9375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7542 -1.8575 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3542 -0.9975 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9842 -1.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7658 -2.9967 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.4058 -4.7967 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3958 -4.0667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9758 -3.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0858 -2.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8358 -3.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8258 -5.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0058 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9558 -5.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0058 -5.6967 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8258 -5.6567 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9858 -6.0467 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3158 -6.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4058 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5858 -6.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14 11 1 0 0 0 0 13 12 1 0 0 0 0 15 12 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 7 6 1 0 0 0 0 8 6 1 0 0 0 0 9 6 1 0 0 0 0 10 9 1 0 0 0 0 11 8 1 0 0 0 0 12 7 1 0 0 0 0 13 10 1 0 0 0 0 14 10 1 0 0 0 0 15 11 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 16 2 0 0 0 0 20 16 1 0 0 0 0 22 17 1 0 0 0 0 23 17 1 0 0 0 0 24 17 1 0 0 0 0 25 23 1 0 0 0 0 26 22 1 0 0 0 0 27 24 1 0 0 0 0 28 27 1 0 0 0 0 29 25 1 0 0 0 0 30 27 1 0 0 0 0 18 21 1 0 0 0 0 30 25 1 0 0 0 0 28 26 1 0 0 0 0 29 26 1 0 0 0 0 21 20 1 0 0 0 0 6 16 1 0 0 0 0 M CHG 2 1 -1 16 1 M END > (C) 2008 SIGMA-ALDRICH CO. > A_____660027 > ALDRICH > 660027 > - > - > - > - > 16247085 $$$$ 30 31 0 0 0 0 0 0 0 0 1 V2000 -0.6583 1.1375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0708 -0.1333 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.4042 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3042 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7375 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5208 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -0.7250 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 -1.5375 2.4667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9333 1.0375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3542 -1.5250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4958 -1.5250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3583 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9333 2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3042 3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5208 3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9333 0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2083 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7417 -0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 -2.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 4 2 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 5 2 0 0 0 0 13 9 1 0 0 0 0 14 8 1 0 0 0 0 15 10 1 0 0 0 0 16 11 1 0 0 0 0 17 10 2 0 0 0 0 18 8 1 0 0 0 0 19 9 2 0 0 0 0 20 11 1 0 0 0 0 21 17 1 0 0 0 0 22 19 1 0 0 0 0 23 14 1 0 0 0 0 24 14 1 0 0 0 0 25 16 1 0 0 0 0 26 16 1 0 0 0 0 27 13 1 0 0 0 0 28 15 1 0 0 0 0 29 15 1 0 0 0 0 30 13 1 0 0 0 0 2 7 1 0 0 0 0 22 18 2 0 0 0 0 21 20 2 0 0 0 0 M CHG 2 1 1 12 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD02684545 > ALDRICH > 574074 > - > - > - > - > 16247085 $$$$ 24 25 0 0 0 0 0 0 0 0 1 V2000 4.6984 -2.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5188 -3.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0078 -3.3755 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4896 -3.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2984 -2.4493 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.6201 -1.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0138 -3.9734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2196 -1.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5412 -1.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2635 -0.9298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6640 -0.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3423 -1.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4972 -4.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5033 -4.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0259 -5.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5425 -4.8681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5364 -4.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4964 -2.4981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7449 -1.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0512 -3.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9764 -3.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0320 -5.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5840 -0.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5800 -3.3741 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 5 6 1 0 0 0 0 3 7 1 0 0 0 0 6 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 6 1 0 0 0 0 7 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 7 1 0 0 0 0 8 18 1 0 0 0 0 12 19 1 0 0 0 0 17 20 1 0 0 0 0 13 21 1 0 0 0 0 15 22 1 0 0 0 0 10 23 1 0 0 0 0 M CHG 2 5 1 24 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > A_____656631 > ALDRICH > 656631 > - > - > - > - > 16247085 $$$$ 30 35 0 0 0 0 0 0 0 0 1 V2000 -1.6797 -2.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0922 -3.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 -2.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5009 -3.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0883 -2.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8816 -2.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6797 -1.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0883 -1.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 -1.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8828 -1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8828 -0.4469 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2154 0.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4703 0.8226 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2953 0.8226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5502 0.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3477 1.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7602 1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0331 1.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8312 1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2438 1.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4504 1.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3477 2.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2438 2.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0331 2.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4492 3.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 0.1773 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 1.2700 -0.6449 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4479 0.1773 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 0.9994 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0922 0.1773 0.0000 F 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 1 7 1 0 0 0 5 8 1 0 0 0 3 9 1 0 0 0 7 10 1 0 0 0 8 10 1 0 0 0 10 9 1 0 0 0 10 11 1 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 11 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 16 1 0 0 0 16 22 1 0 0 0 20 23 1 0 0 0 18 24 1 0 0 0 22 25 1 0 0 0 23 25 1 0 0 0 25 24 1 0 0 0 13 18 1 0 0 0 26 27 1 0 0 0 26 28 1 0 0 0 26 29 1 0 0 0 26 30 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 26 27 28 29 30 M SMT 1 -BF4 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD04973311 > ALDRICH > 660035 > - > - > - > - > 16247085 $$$$ 24 25 0 0 0 0 0 0 0 0 1 V2000 -1.0125 0.9542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4250 -0.3167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.7583 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8375 0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 -1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1417 -1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1417 -2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 -2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -2.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -0.4375 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 -1.8958 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8542 -1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 3.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 4 2 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 5 2 0 0 0 0 12 11 1 0 0 0 0 13 8 1 0 0 0 0 14 9 2 0 0 0 0 15 10 2 0 0 0 0 16 15 1 0 0 0 0 17 14 1 0 0 0 0 19 9 1 0 0 0 0 20 8 1 0 0 0 0 21 10 1 0 0 0 0 22 11 1 0 0 0 0 23 17 1 0 0 0 0 24 16 1 0 0 0 0 2 7 1 0 0 0 0 17 13 2 0 0 0 0 16 12 2 0 0 0 0 M CHG 2 1 1 18 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD02684541 > ALDRICH > 574066 > - > - > - > - > 16247085 $$$$