6 4 0 0 0 0 0 0 0 0 1 V2000 7.7625 -7.8042 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.1750 -8.3875 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.3458 -8.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1750 -7.2167 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.3458 -7.2167 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0167 -7.8667 0.0000 Ho 0 1 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 M CHG 4 2 -1 4 -1 5 -1 6 3 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00467736 > ALDRICH > 641677 > - > - > - > - > 16251030 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.2878 0.0000 Ho 0 0 0 0 0 0 0 0 0 0 0 0 1.2981 -1.0394 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 -1.0394 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0394 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00016142 > ALDRICH > 432075 > - > - > - > - > 16251030 $$$$ 6 3 0 0 0 0 0 0 0 0 1 V2000 -0.1202 2.9108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1202 4.4108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8369 2.3556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0773 2.3556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0165 -0.7645 0.0000 Ho 0 0 0 0 0 0 0 0 0 0 0 0 1.0773 -4.4108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00149952 > ALDRICH > 325716 > - > - > - > - > 16251030 $$$$ 28 27 0 0 0 0 0 0 0 0 1 V2000 -0.5197 0.3567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3666 -0.0558 0.0000 Ho 0 0 0 0 0 0 0 0 0 0 0 0 1.1241 0.3567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3666 -0.8779 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5197 1.1788 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.3419 1.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5197 2.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3024 1.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3454 -1.2890 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.0657 -2.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0574 -1.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7564 -0.5770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0786 -1.2890 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.4897 -0.5770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7906 -1.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6675 -2.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1241 1.1788 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.3019 1.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1241 2.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9462 1.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2342 -0.0558 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.8231 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9462 -0.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6453 0.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1241 0.3567 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -0.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4121 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5351 1.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 1 0 0 0 1 5 1 0 0 0 5 6 1 0 0 0 5 7 1 0 0 0 5 8 1 0 0 0 4 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 4 13 1 0 0 0 13 14 1 0 0 0 13 15 1 0 0 0 13 16 1 0 0 0 3 17 1 0 0 0 17 18 1 0 0 0 17 19 1 0 0 0 17 20 1 0 0 0 1 21 1 0 0 0 21 22 1 0 0 0 21 23 1 0 0 0 21 24 1 0 0 0 3 25 1 0 0 0 25 26 1 0 0 0 25 27 1 0 0 0 25 28 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 5 6 7 8 M SBL 1 1 4 M SMT 1 TMS M SBV 1 4 -6.0037 6.5671 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 9 10 11 12 M SBL 2 1 8 M SMT 2 ^TMS M SBV 2 8 -6.7157 5.3339 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 13 14 15 16 M SBL 3 1 12 M SMT 3 TMS M SBV 3 12 -5.2917 5.3339 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 4 17 18 19 20 M SBL 4 1 16 M SMT 4 TMS M SBV 4 16 -6.0037 6.5671 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 4 21 22 23 24 M SBL 5 1 20 M SMT 5 ^TMS M SBV 5 20 -6.7182 5.3325 M STY 1 6 SUP M SLB 1 6 6 M SAL 6 4 25 26 27 28 M SBL 6 1 24 M SMT 6 TMS M SBV 6 24 -6.0037 5.7450 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03427093 > ALDRICH > 547840 > - > - > - > - > 16251030 $$$$ 16 15 0 0 0 0 0 0 0 0 1 V2000 2.3174 1.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2089 1.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7925 0.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1609 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6174 0.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8940 -1.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7854 -0.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3690 -1.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7374 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1940 -1.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5501 -1.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4415 -1.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0251 -1.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3935 -1.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8501 -1.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -0.2500 0.0000 Ho 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 10 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 5 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 15 1 0 0 0 0 M RAD 8 1 2 2 2 3 2 4 2 5 2 6 2 7 2 8 2 M RAD 7 9 2 10 2 11 2 12 2 13 2 14 2 15 2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03427140 > ALDRICH > 554014 > - > - > - > - > 16251030 $$$$ 17 12 0 0 0 0 0 0 0 0 1 V2000 3.3250 -4.5708 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.9750 -6.0000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.6250 -7.4292 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.5625 -5.2875 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7375 -5.2875 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.3875 -6.7167 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.2125 -6.7167 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9042 -3.8542 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.0375 -8.1458 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6083 -4.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 -4.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2583 -6.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3375 -7.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9083 -7.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6875 -5.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -4.3375 0.0000 Ho 0 1 0 0 0 0 0 0 0 0 0 0 3.2667 -7.4625 0.0000 Ho 0 1 0 0 0 0 0 0 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 1 2 0 0 0 0 11 1 2 0 0 0 0 12 2 2 0 0 0 0 13 3 2 0 0 0 0 14 3 2 0 0 0 0 15 2 2 0 0 0 0 M CHG 8 4 -1 5 -1 6 -1 7 -1 8 -1 9 -1 16 3 17 3 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00149740 > ALDRICH > 575119 > - > - > - > - > 16251030 $$$$ 1 0 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 Ho 0 0 0 0 0 0 0 0 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011049 > ALDRICH > 693693 > - > - > - > - > 16251030 $$$$ 6 3 0 0 0 0 0 0 0 0 1 V2000 -0.3023 2.9957 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3023 4.4957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5497 2.2747 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9488 2.2747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0207 -0.8453 0.0000 Ho 0 0 0 0 0 0 0 0 0 0 0 0 1.5497 -4.4957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00149737 > ALDRICH > 229687 > - > - > - > - > 16251030 $$$$ 58 57 0 0 0 0 0 0 0 0 1 V2000 -1.2586 -3.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5441 -2.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5441 -2.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6590 -0.7426 0.0000 Ho 0 0 0 0 0 0 0 0 0 0 0 0 -1.9731 -2.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6875 -3.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9731 -2.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4020 -2.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 -4.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 -4.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1703 -3.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5828 -4.1212 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.2407 -4.1187 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7047 -2.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9183 -3.2780 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2881 -1.8977 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7090 -2.8466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9226 -3.6435 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5090 -3.0362 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1215 -2.1322 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5599 2.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5599 1.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8479 0.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8454 2.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8454 3.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1334 2.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 3.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6704 3.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2579 3.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2744 0.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0994 0.8028 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.6854 1.5148 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.7400 -0.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5369 0.0907 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5265 -0.9197 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.5587 -0.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3556 -0.5963 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.1229 -1.4078 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.1462 -1.5243 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5599 2.1692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5599 1.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8479 0.9331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8454 2.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8454 3.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1334 2.1706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 3.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6704 3.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2579 4.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2744 0.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0994 0.9317 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6854 1.6437 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7400 0.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 0.2196 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5265 -0.7908 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5587 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3556 -0.4674 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1229 -1.2789 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1462 -1.3954 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 11 2 1 0 0 0 2 3 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 5 7 2 0 0 0 8 6 1 0 0 0 6 9 1 0 0 0 6 10 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 11 14 1 0 0 0 14 15 1 0 0 0 14 16 1 0 0 0 14 17 1 0 0 0 17 18 1 0 0 0 17 19 1 0 0 0 17 20 1 0 0 0 22 21 2 0 0 0 30 22 1 0 0 0 22 23 1 0 0 0 24 21 1 0 0 0 25 24 1 0 0 0 24 26 2 0 0 0 27 25 1 0 0 0 25 28 1 0 0 0 25 29 1 0 0 0 30 31 1 0 0 0 30 32 1 0 0 0 30 33 1 0 0 0 33 34 1 0 0 0 33 35 1 0 0 0 33 36 1 0 0 0 36 37 1 0 0 0 36 38 1 0 0 0 36 39 1 0 0 0 41 40 2 0 0 0 49 41 1 0 0 0 41 42 1 0 0 0 43 40 1 0 0 0 44 43 1 0 0 0 43 45 2 0 0 0 46 44 1 0 0 0 44 47 1 0 0 0 44 48 1 0 0 0 49 50 1 0 0 0 49 51 1 0 0 0 49 52 1 0 0 0 52 53 1 0 0 0 52 54 1 0 0 0 52 55 1 0 0 0 55 56 1 0 0 0 55 57 1 0 0 0 55 58 1 0 0 0 23 4 1 0 0 0 42 4 1 0 0 0 3 4 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00010465 > ALDRICH > 237272 > - > - > - > - > 16251030 $$$$ 7 5 0 0 0 0 0 0 0 0 1 V2000 7.5500 -6.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2625 -5.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9750 -6.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4931 -5.9667 0.0000 Ho 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -5.2546 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -6.6788 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.6708 -5.9667 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 G 4 0 HoBr3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 4 5 6 7 M SMT 1 HoBr3 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00209652 > ALDRICH > 575232 > - > - > - > - > 16251030 $$$$ 1 0 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 Ho 0 0 0 0 0 0 0 0 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011049 > ALDRICH > 261122 > - > - > - > - > 16251030 $$$$ 6 3 0 0 0 0 0 0 0 0 1 V2000 -0.3023 2.9957 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3023 4.4957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5497 2.2747 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9488 2.2747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0207 -0.8453 0.0000 Ho 0 0 0 0 0 0 0 0 0 0 0 0 1.5497 -4.4957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00149737 > ALDRICH > 325732 > - > - > - > - > 16251030 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 4.3917 -6.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -5.7375 0.0000 Ho 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -6.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -5.6958 0.0000 Ho 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 -6.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 1 2 2 0 0 0 0 4 5 2 0 0 0 0 2 3 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011053 > SIGMA-ALDRICH > H9750 > ALDRICH > 641863 > - > - > 16251030 $$$$ 1 0 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 Ho 0 0 0 0 0 0 0 0 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011049 > ALDRICH > 457957 > - > - > - > - > 16251030 $$$$ 25 21 0 0 0 0 0 0 0 0 1 V2000 0.1975 0.4512 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1975 1.2762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1975 -0.3738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0225 0.4512 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4576 0.4512 0.0000 Ho 0 1 0 0 0 0 0 0 0 0 0 0 0.1545 -2.4707 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1545 -1.6457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1545 -3.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9795 -2.4707 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7049 2.4707 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7049 3.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7049 1.6457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1201 2.4707 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6275 0.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6275 -0.4767 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5553 0.4512 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6275 1.3790 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6705 -2.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6705 -3.3985 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5982 -2.4707 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6705 -1.5429 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5299 2.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5299 1.5429 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4576 2.4707 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5299 3.3985 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 6 7 2 0 0 0 6 8 2 0 0 0 6 9 1 0 0 0 10 11 2 0 0 0 10 12 2 0 0 0 10 13 1 0 0 0 14 15 1 0 0 0 14 16 1 0 0 0 14 17 1 0 0 0 1 14 1 0 0 0 18 19 1 0 0 0 18 20 1 0 0 0 18 21 1 0 0 0 6 18 1 0 0 0 22 23 1 0 0 0 22 24 1 0 0 0 22 25 1 0 0 0 10 22 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 14 15 16 17 M SBL 1 1 13 M SMT 1 ^CF3 M SBV 1 13 -10.2320 7.1228 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 18 19 20 21 M SBL 2 1 17 M SMT 2 ^CF3 M SBV 2 17 -10.2320 7.1228 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 22 23 24 25 M SBL 3 1 21 M SMT 3 ^CF3 M SBV 3 21 -10.2320 7.1228 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00209590 > ALDRICH > 425699 > - > - > - > - > 16251030 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.0016 -0.2030 0.0000 Ho 0 0 0 0 0 0 0 0 0 0 0 0 1.2997 -0.9544 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2997 -0.9544 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 0.9544 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011051 > ALDRICH > 325724 > - > - > - > - > 16251030 $$$$ 14 12 0 0 0 0 0 0 0 0 1 V2000 -2.8835 -0.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1690 0.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4548 -0.3165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1690 0.9181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 -0.3165 0.0000 Ho 0 0 0 0 0 0 0 0 0 0 0 0 -2.8405 -2.9373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1260 -2.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4118 -2.9373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1260 -1.7028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7116 1.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9971 2.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2829 1.7027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9971 2.9373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8835 0.7776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 2 0 0 0 7 6 1 0 0 0 8 7 1 0 0 0 7 9 2 0 0 0 11 10 1 0 0 0 12 11 1 0 0 0 11 13 2 0 0 0 3 5 1 0 0 0 12 5 1 0 0 0 8 5 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00150648 > ALDRICH > 467332 > - > - > - > - > 16251030 $$$$ 17 12 0 0 0 0 0 0 0 0 1 V2000 3.3250 -4.5708 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.9750 -6.0000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.6250 -7.4292 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.5625 -5.2875 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7375 -5.2875 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.3875 -6.7167 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.2125 -6.7167 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9042 -3.8542 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.0375 -8.1458 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6083 -4.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 -4.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2583 -6.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3375 -7.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9083 -7.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6875 -5.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -4.3375 0.0000 Ho 0 1 0 0 0 0 0 0 0 0 0 0 3.2667 -7.4625 0.0000 Ho 0 1 0 0 0 0 0 0 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 1 2 0 0 0 0 11 1 2 0 0 0 0 12 2 2 0 0 0 0 13 3 2 0 0 0 0 14 3 2 0 0 0 0 15 2 2 0 0 0 0 M CHG 8 4 -1 5 -1 6 -1 7 -1 8 -1 9 -1 16 3 17 3 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00149740 > ALDRICH > 325740 > - > - > - > - > 16251030 $$$$ 22 15 0 0 0 0 0 0 0 0 1 V2000 6.2175 -4.6223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7263 -4.3285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2351 -4.6223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -3.9333 0.0000 Ho 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -3.9333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5604 -3.4245 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5604 -4.4421 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1869 -3.6542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6957 -3.3604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2044 -3.6542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2181 -2.8105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7269 -2.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2357 -2.8105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9363 -2.8723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4451 -2.5785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9539 -2.8723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9655 -3.7024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4743 -3.4086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9831 -3.7024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9681 -4.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4769 -4.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9857 -4.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00149739 > ALDRICH > 203408 > - > - > - > - > 16251030 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -0.7589 -2.1900 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.5399 -1.4399 0.0000 Ho 0 0 0 0 0 0 0 0 0 0 0 0 1.8389 -2.1900 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.5399 0.0599 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00049744 > ALDRICH > 439762 > - > - > - > - > 16251030 $$$$ 22 15 0 0 0 0 0 0 0 0 1 V2000 6.2175 -4.6223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7263 -4.3285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2351 -4.6223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -3.9333 0.0000 Ho 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -3.9333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5604 -3.4245 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5604 -4.4421 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1869 -3.6542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6957 -3.3604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2044 -3.6542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2181 -2.8105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7269 -2.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2357 -2.8105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9363 -2.8723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4451 -2.5785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9539 -2.8723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9655 -3.7024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4743 -3.4086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9831 -3.7024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9681 -4.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4769 -4.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9857 -4.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00149739 > ALDRICH > 289213 > - > - > - > - > 16251030 $$$$ 22 15 0 0 0 0 0 0 0 0 1 V2000 6.2175 -4.6223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7263 -4.3285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2351 -4.6223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -3.9333 0.0000 Ho 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -3.9333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5604 -3.4245 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5604 -4.4421 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1869 -3.6542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6957 -3.3604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2044 -3.6542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2181 -2.8105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7269 -2.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2357 -2.8105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9363 -2.8723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4451 -2.5785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9539 -2.8723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9655 -3.7024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4743 -3.4086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9831 -3.7024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9681 -4.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4769 -4.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9857 -4.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00149739 > ALDRICH > 450928 > - > - > - > - > 16251030 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.2878 0.0000 Ho 0 0 0 0 0 0 0 0 0 0 0 0 1.2981 -1.0394 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 -1.0394 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0394 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00049745 > ALDRICH > 439754 > - > - > - > - > 16251030 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.0016 -0.2030 0.0000 Ho 0 0 0 0 0 0 0 0 0 0 0 0 1.2997 -0.9544 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2997 -0.9544 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 0.9544 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011051 > ALDRICH > 450901 > - > - > - > - > 16251030 $$$$