4 3 0 0 0 0 0 0 0 0 1 V2000 -0.7132 -0.6173 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.2048 0.0000 Nd 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.6159 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.6173 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 1 2 3 4 M SMT 1 NdCl3 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011132 > ALDRICH > 449946 > - > - > - > - > 16251893 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.2878 0.0000 Nd 0 0 0 0 0 0 0 0 0 0 0 0 1.2981 -1.0394 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 -1.0394 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0394 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011135 > ALDRICH > 309168 > - > - > - > - > 16251893 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 4.3917 -6.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -5.7375 0.0000 Nd 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -6.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -5.6958 0.0000 Nd 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 -6.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 1 2 2 0 0 0 0 4 5 2 0 0 0 0 2 3 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011134 > ALDRICH > 203858 > RIEDEL > 14796 > - > - > 16251893 $$$$ 19 9 0 0 0 0 0 0 0 0 1 V2000 -1.5414 1.3177 0.0000 Nd 0 1 0 0 0 0 0 0 0 0 0 0 -4.3023 -1.5755 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.5878 -1.1630 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.8734 -1.5755 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.5878 -0.3409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5523 -1.5755 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8378 -1.1630 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1234 -1.5755 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8378 -0.3409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8969 -2.0911 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6114 -1.6786 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3259 -2.0911 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6114 -0.8565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1656 0.8451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0015 2.0911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3023 0.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1734 1.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 2.0482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6695 0.1146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 3 5 2 0 0 0 7 6 1 0 0 0 8 7 1 0 0 0 7 9 2 0 0 0 11 10 1 0 0 0 12 11 1 0 0 0 11 13 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00149799 > ALDRICH > 289175 > - > - > - > - > 16251893 $$$$ 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 Nd 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 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 -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 1.0786 -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 -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 2 1 1 0 0 0 3 2 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 5 6 1 0 0 0 5 7 1 0 0 0 5 8 1 0 0 0 1 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 4 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 5.7450 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 -6.7182 5.3325 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 -6.0037 6.5671 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 -6.7157 5.3339 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03427089 > ALDRICH > 547794 > - > - > - > - > 16251893 $$$$ 17 12 0 0 0 0 0 0 0 0 1 V2000 3.3250 -4.5708 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.9750 -6.0000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.6250 -7.4292 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.5625 -5.2875 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7375 -5.2875 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.3875 -6.7167 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.2125 -6.7167 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9042 -3.8542 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.0375 -8.1458 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6083 -4.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 -4.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2583 -6.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3375 -7.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9083 -7.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6875 -5.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -4.3375 0.0000 Nd 0 1 0 0 0 0 0 0 0 0 0 0 2.5042 -7.1417 0.0000 Nd 0 1 0 0 0 0 0 0 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 1 2 0 0 0 0 11 1 2 0 0 0 0 12 2 2 0 0 0 0 13 3 2 0 0 0 0 14 3 2 0 0 0 0 15 2 2 0 0 0 0 M CHG 8 4 -1 5 -1 6 -1 7 -1 8 -1 9 -1 16 3 17 3 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00149803 > ALDRICH > 575186 > - > - > - > - > 16251893 $$$$ 9 6 0 0 0 0 0 0 0 0 1 V2000 2.4042 -6.4833 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 2.4583 -7.2750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4000 -5.6542 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2292 -6.4792 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5833 -6.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 -6.5250 0.0000 Nd 0 1 0 0 0 0 0 0 0 0 0 0 6.7375 -6.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 -6.5917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4500 -6.5917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 8 7 1 0 0 0 0 9 7 1 0 0 0 0 M CHG 4 2 -1 3 -1 4 -1 6 3 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD05663757 > ALDRICH > 587095 > - > - > - > - > 16251893 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.2055 0.0000 Nd 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.2055 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.2055 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 1 2 3 M SMT 1 NdI2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD10566944 > ALDRICH > 652431 > - > - > - > - > 16251893 $$$$ 1 0 0 0 0 0 0 0 0 0 1 V2000 5.6393 -3.1729 0.0000 Nd 0 0 0 0 0 15 0 0 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011130 > ALDRICH > 263141 > - > - > - > - > 16251893 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 5.4281 -3.1583 0.0000 Nd 0 0 0 0 0 0 0 0 0 0 0 0 4.8031 -4.2409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8031 -2.0758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6781 -3.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00049758 > ALDRICH > 587109 > - > - > - > - > 16251893 $$$$ 1 0 0 0 0 0 0 0 0 0 1 V2000 5.6393 -3.1729 0.0000 Nd 0 0 0 0 0 15 0 0 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011130 > ALDRICH > 693758 > - > - > - > - > 16251893 $$$$ 18 12 0 0 0 0 0 0 0 0 1 V2000 -3.7080 -0.3602 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7080 0.4648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7080 -1.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8830 -0.3602 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.5330 -0.3602 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.3565 -0.6180 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3565 0.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3565 -1.4430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4685 -0.6180 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1815 -0.6180 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1240 -0.8758 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1240 -0.0508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1240 -1.7008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9490 -0.8758 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2990 -0.8758 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5330 1.1423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5252 1.5290 0.0000 Nd 0 1 0 0 0 0 0 0 0 0 0 0 -1.3107 1.7008 0.0000 Nd 0 1 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 6 7 2 0 0 0 6 8 2 0 0 0 6 9 1 0 0 0 6 10 1 0 0 0 11 12 2 0 0 0 11 13 2 0 0 0 11 14 1 0 0 0 11 15 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00149802 > ALDRICH > 325813 > - > - > - > - > 16251893 $$$$ 1 0 0 0 0 0 0 0 0 0 1 V2000 5.6393 -3.1729 0.0000 Nd 0 0 0 0 0 15 0 0 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011130 > ALDRICH > 460877 > - > - > - > - > 16251893 $$$$ 16 14 0 0 0 0 0 0 0 0 1 V2000 2.3839 -1.1781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9035 -0.8781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4213 -1.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2039 -2.1782 0.0000 Nd 0 0 0 0 0 0 0 0 0 0 0 0 2.3586 -2.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7994 -2.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3634 -1.6291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5510 -2.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9927 -2.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5474 -1.5463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3180 -3.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5461 -3.8441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7234 -3.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1422 -2.5855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7083 -2.6052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -2.6978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 8 1 0 0 0 0 15 5 1 0 0 0 0 4 15 1 0 0 0 0 4 14 1 0 0 0 0 16 4 1 0 0 0 0 11 16 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00150120 > ALDRICH > 325805 > - > - > - > - > 16251893 $$$$ 15 9 0 0 0 0 0 0 0 0 1 V2000 -2.4299 -0.8249 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.4299 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1309 1.4249 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.7289 1.4249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9599 1.7549 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2590 1.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2590 -0.4949 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5580 1.7549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -2.4149 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0509 -3.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2479 -2.4149 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0509 -4.6649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0199 0.0749 0.0000 Nd 0 1 0 0 0 0 0 0 0 0 0 0 0.3299 -0.8849 0.0000 Nd 0 1 0 0 0 0 0 0 0 0 0 0 5.8199 -0.5849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00150426 > ALDRICH > 451185 > - > - > - > - > 16251893 $$$$ 10 3 0 0 0 0 0 0 0 0 1 V2000 -2.3041 0.0773 0.0000 Nd 0 0 0 0 0 0 0 0 0 0 0 0 -3.1010 -0.1362 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7207 -0.5060 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.3041 0.9023 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0072 1.4609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2221 0.2148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9096 -1.2891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1674 -2.6641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1127 2.6641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1010 0.7305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00149801 > ALDRICH > 203831 > FLUKA > 72110 > - > - > 16251893 $$$$ 1 0 0 0 0 0 0 0 0 0 1 V2000 5.6393 -3.1729 0.0000 Nd 0 0 0 0 0 15 0 0 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011130 > ALDRICH > 261157 > - > - > - > - > 16251893 $$$$ 40 39 0 0 0 0 0 0 0 0 1 V2000 -1.5801 -2.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8657 -2.5651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1512 -2.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8657 -1.7429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9805 -0.0986 0.0000 Nd 0 0 0 0 0 0 0 0 0 0 0 0 -2.2947 -2.5651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0092 -2.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2947 -1.7429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1512 -3.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0623 -2.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6738 -2.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0092 -3.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7212 -2.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7236 -3.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4660 1.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4660 0.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1804 0.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7540 0.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7515 2.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7515 2.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0394 1.7386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8924 0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5971 -0.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5929 -0.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4635 3.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9545 2.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7515 3.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4660 1.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4660 0.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1804 0.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7540 0.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7515 1.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7515 2.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0394 1.3497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8924 0.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5971 -0.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5929 -0.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5765 2.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0394 2.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7515 3.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 3 2 1 0 0 0 2 4 1 0 0 0 6 1 1 0 0 0 7 6 1 0 0 0 6 8 2 0 0 0 3 9 1 0 0 0 3 10 1 0 0 0 3 11 1 0 0 0 7 12 1 0 0 0 7 13 1 0 0 0 7 14 1 0 0 0 16 15 2 0 0 0 17 16 1 0 0 0 16 18 1 0 0 0 19 15 1 0 0 0 20 19 1 0 0 0 19 21 2 0 0 0 17 22 1 0 0 0 17 23 1 0 0 0 17 24 1 0 0 0 20 25 1 0 0 0 20 26 1 0 0 0 20 27 1 0 0 0 29 28 2 0 0 0 30 29 1 0 0 0 29 31 1 0 0 0 32 28 1 0 0 0 33 32 1 0 0 0 32 34 2 0 0 0 30 35 1 0 0 0 30 36 1 0 0 0 30 37 1 0 0 0 33 38 1 0 0 0 33 39 1 0 0 0 33 40 1 0 0 0 4 5 1 0 0 0 18 5 1 0 0 0 31 5 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00015708 > ALDRICH > 434043 > - > - > - > - > 16251893 $$$$ 58 57 0 0 0 0 0 0 0 0 1 V2000 -2.5216 -2.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5216 1.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1543 2.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9605 -1.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3615 3.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9381 0.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 0.2351 0.0000 Nd 0 0 0 0 0 0 0 0 0 0 0 0 3.0994 2.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7589 3.2986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0994 -3.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5439 -1.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 2.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5171 0.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0627 3.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9605 -0.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9112 -0.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4902 -1.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5439 0.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7883 2.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4959 -1.2249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8106 2.0087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7154 0.2351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9605 0.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 3.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8844 -1.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7557 2.1431 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8901 1.2160 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5171 1.9595 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 2.1431 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7512 -3.0791 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.9124 -2.1565 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3412 1.6505 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3392 4.0018 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.7667 -1.7803 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7532 0.8174 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.3501 -2.6134 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0916 3.5674 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7154 -1.1891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8095 0.2128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 1.9684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6234 -3.8316 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6368 2.8687 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9548 2.2417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0142 3.1911 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.9548 -3.2180 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.3143 3.8092 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.7052 4.1450 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.6145 3.1777 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0008 -4.1450 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.7801 0.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4544 1.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3904 1.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3098 -2.6134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1812 3.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4198 4.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1588 2.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7129 -1.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3827 -2.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 3 5 1 0 4 1 1 0 5 12 1 0 6 13 1 0 8 2 1 0 9 3 1 0 10 1 1 0 11 4 1 0 12 14 2 0 13 16 2 0 14 19 1 0 15 11 2 0 16 17 1 0 17 20 2 0 18 15 1 0 19 21 2 0 22 18 2 0 23 18 1 0 24 19 1 0 25 17 1 0 26 2 1 0 27 2 1 0 28 3 1 0 29 3 1 0 30 1 1 0 31 1 1 0 32 6 1 0 33 5 1 0 34 4 1 0 35 6 1 0 36 4 1 0 37 5 1 0 38 11 1 0 39 13 1 0 40 12 1 0 41 10 1 0 42 8 1 0 43 8 1 0 44 8 1 0 45 10 1 0 46 9 1 0 47 9 1 0 48 9 1 0 49 10 1 0 50 23 1 0 51 23 1 0 52 23 1 0 53 25 1 0 54 24 1 0 55 24 1 0 56 24 1 0 57 25 1 0 58 25 1 0 7 40 1 0 7 38 1 0 7 39 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00798419 > FLUKA > 93294 > - > - > - > - > 16251893 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -0.7589 -2.1900 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.5399 -1.4399 0.0000 Nd 0 0 0 0 0 0 0 0 0 0 0 0 1.8389 -2.1900 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.5399 0.0599 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00016245 > ALDRICH > 466115 > - > - > - > - > 16251893 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -0.7589 -2.1900 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.5399 -1.4399 0.0000 Nd 0 0 0 0 0 0 0 0 0 0 0 0 1.8389 -2.1900 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.5399 0.0599 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00016245 > ALDRICH > 439711 > - > - > - > - > 16251893 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 -3.0527 -1.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3382 -0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6237 -1.3259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3382 -0.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1112 -1.3259 0.0000 Nd 0 0 0 0 0 0 0 0 0 0 0 0 3.0527 -1.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3382 -1.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6237 -1.6697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3382 -0.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4867 1.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8992 0.9552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4867 0.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7214 0.9552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 1 0 0 0 7 6 1 0 0 0 8 7 1 0 0 0 7 9 1 0 0 0 11 10 1 0 0 0 12 11 1 0 0 0 11 13 1 0 0 0 3 5 1 0 0 0 8 5 1 0 0 0 5 12 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00058819 > ALDRICH > 410101 > - > - > - > - > 16251893 $$$$ 5 3 0 0 0 0 0 0 0 0 1 V2000 -1.3413 0.0000 0.0000 Nd 0 0 0 0 0 0 0 0 0 0 0 0 -1.7524 -0.7120 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.7524 0.7120 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.5192 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.7524 0.1289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00748137 > ALDRICH > 545058 > - > - > - > - > 16251893 $$$$ 22 16 0 0 0 0 0 0 0 0 1 V2000 8.3807 -0.8873 0.0000 Ti 0 0 0 0 0 0 0 0 0 0 0 0 7.6317 0.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8807 -0.8873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3507 -3.3772 0.0000 Ti 0 0 0 0 0 0 0 0 0 0 0 0 7.6017 -2.0794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8507 -3.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2908 -5.5372 0.0000 Ti 0 0 0 0 0 0 0 0 0 0 0 0 7.5417 -4.2392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7908 -5.5372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8410 -5.6272 0.0000 Ti 0 0 0 0 0 0 0 0 0 0 0 0 4.0920 -4.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3407 -5.6272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3110 -1.1575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8110 -1.1575 0.0000 Nd 0 0 0 0 0 0 0 0 0 0 0 0 1.8109 -1.1575 0.0000 Nd 0 0 0 0 0 0 0 0 0 0 0 0 6.3107 -1.1575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3109 -1.1575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3410 -3.1072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8410 -3.1072 0.0000 Nd 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -3.1072 0.0000 Nd 0 0 0 0 0 0 0 0 0 0 0 0 6.3407 -3.1072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 -3.1072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 2 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 1 2 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 20 22 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00192342 > ALDRICH > 403695 > - > - > - > - > 16251893 $$$$ 23 21 0 0 0 0 0 0 0 0 1 V2000 -1.6933 -2.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4077 -1.9037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1222 -2.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4077 -1.0816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9788 -1.9037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 -2.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9788 -1.0816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9776 -0.1678 0.0000 Nd 0 0 0 0 0 0 0 0 0 0 0 0 -2.8094 1.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0949 1.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0949 2.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3829 1.0801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8094 0.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5238 -0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0974 -0.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8345 1.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1201 1.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1201 2.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5919 1.0801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8345 0.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 -0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1225 -0.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5238 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 2 0 0 0 5 1 2 0 0 0 6 5 1 0 0 0 5 7 1 0 0 0 10 9 1 0 0 0 11 10 1 0 0 0 10 12 2 0 0 0 13 9 2 0 0 0 14 13 1 0 0 0 13 15 1 0 0 0 17 16 1 0 0 0 18 17 1 0 0 0 17 19 2 0 0 0 20 16 2 0 0 0 21 20 1 0 0 0 20 22 1 0 0 0 8 15 1 0 0 0 8 22 1 0 0 0 8 7 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00674047 > ALDRICH > 460427 > - > - > - > - > 16251893 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -0.2055 0.0000 0.0000 Nd 0 0 0 0 0 0 0 0 0 0 0 0 -0.6166 -0.7120 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.6166 0.7120 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 1 2 3 4 M SMT 1 NdI3 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00016248 > ALDRICH > 659215 > - > - > - > - > 16251893 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -0.7132 -0.6173 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.2048 0.0000 Nd 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.6159 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.6173 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 1 2 3 4 M SMT 1 NdCl3 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011132 > ALDRICH > 449938 > - > - > - > - > 16251893 $$$$ 25 24 0 0 0 0 0 0 0 0 1 V2000 -0.8970 -1.4199 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 -0.8970 -2.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 -3.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4949 -1.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1920 -0.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4009 -0.6679 0.0000 Nd 0 1 0 0 0 0 0 0 0 0 0 0 0.3989 0.8320 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 1.6979 1.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6979 3.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8999 3.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8999 1.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7009 -1.4159 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 1.7009 -2.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -3.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2989 -1.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -0.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5979 -0.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8969 -1.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5979 0.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7940 -0.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0929 -1.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7940 0.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1990 3.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4980 3.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1990 5.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 20 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 23 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00145483 > ALDRICH > 496014 > - > - > - > - > 16251893 $$$$ 10 3 0 0 0 0 0 0 0 0 1 V2000 -2.3041 0.0773 0.0000 Nd 0 0 0 0 0 0 0 0 0 0 0 0 -3.1010 -0.1362 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7207 -0.5060 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.3041 0.9023 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0072 1.4609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2221 0.2148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9096 -1.2891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1674 -2.6641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1127 2.6641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1010 0.7305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00149801 > ALDRICH > 289183 > FLUKA > 72110 > - > - > 16251893 $$$$ 9 7 0 0 0 0 0 0 0 0 1 V2000 -0.8440 2.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4558 1.9752 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1496 1.9752 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0619 4.0855 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6319 4.0855 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5081 0.1576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5964 0.1576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1496 2.9544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4388 -4.0854 0.0000 Nd 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 2 0 0 0 0 2 7 2 0 0 0 0 2 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00192343 > ALDRICH > 425184 > - > - > - > - > 16251893 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.2878 0.0000 Nd 0 0 0 0 0 0 0 0 0 0 0 0 1.2981 -1.0394 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 -1.0394 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0394 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011135 > ALDRICH > 449954 > - > - > - > - > 16251893 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 4.3917 -6.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -5.7375 0.0000 Nd 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -6.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -5.6958 0.0000 Nd 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 -6.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 1 2 2 0 0 0 0 4 5 2 0 0 0 0 2 3 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011134 > ALDRICH > 634611 > RIEDEL > 14796 > - > - > 16251893 $$$$ 28 27 0 0 0 0 0 0 0 0 1 V2000 2.3509 0.8735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2442 1.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8237 0.5108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1946 0.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6486 0.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7726 1.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2306 1.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7722 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8286 -0.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9273 -1.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8187 -1.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4023 -1.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7707 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2273 -1.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2173 -2.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4109 -2.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3480 -1.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8015 -0.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5834 -1.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4748 -1.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0584 -1.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4268 -1.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8834 -1.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4576 -0.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0041 -1.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8734 -2.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0670 -2.3759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1458 -0.4667 0.0000 Nd 0 0 0 0 0 0 0 0 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 14 1 0 0 0 0 12 15 1 0 0 0 0 4 6 1 0 0 0 0 14 16 1 0 0 0 0 13 17 1 0 0 0 0 2 7 1 0 0 0 0 11 18 1 0 0 0 0 1 8 1 0 0 0 0 5 9 1 0 0 0 0 1 2 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 23 1 0 0 0 0 1 3 1 0 0 0 0 20 24 1 0 0 0 0 2 4 1 0 0 0 0 19 25 1 0 0 0 0 3 5 1 0 0 0 0 21 26 1 0 0 0 0 4 5 1 0 0 0 0 23 27 1 0 0 0 0 10 11 1 0 0 0 0 M RAD 8 1 2 2 2 3 2 4 2 5 2 10 2 11 2 12 2 M RAD 7 13 2 14 2 19 2 20 2 21 2 22 2 23 2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD01862468 > ALDRICH > 511064 > - > - > - > - > 16251893 $$$$ 23 23 0 0 0 0 0 0 0 0 1 V2000 6.7573 -3.6416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2769 -3.3416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7965 -3.6416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1421 -2.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5524 -2.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3261 -2.2278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3675 -2.2254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6117 -3.1359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0738 -3.1295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6234 -4.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0957 -4.2692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5727 -4.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1555 -4.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3479 -5.1666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3967 -5.1709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9081 -3.7110 0.0000 Nd 0 0 0 0 0 0 0 0 0 0 0 0 5.9569 -3.6580 0.0000 Nd 0 0 0 0 0 0 0 0 0 0 0 0 3.7090 -2.4092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9580 -2.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1652 -1.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5795 -1.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4134 -1.1406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3650 -1.1619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 5 7 2 0 0 0 0 13 14 2 0 0 0 0 12 15 2 0 0 0 0 4 8 1 0 0 0 0 11 16 1 0 0 0 0 10 17 1 0 0 0 0 8 17 1 0 0 0 0 9 16 1 0 0 0 0 5 9 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 10 13 1 0 0 0 0 20 23 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00674082 > ALDRICH > 463817 > - > - > - > - > 16251893 $$$$ 14 9 0 0 0 0 0 0 0 0 1 V2000 -0.5532 1.7044 0.0000 Nd 0 1 0 0 0 0 0 0 0 0 0 0 -3.3141 -1.1888 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.5996 -0.7763 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8851 -1.1888 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.5996 0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5641 -1.1888 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1504 -0.7763 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8649 -1.1888 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1504 0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8851 -1.7044 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5996 -1.2919 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3141 -1.7044 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5996 -0.4698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1538 1.2318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 3 5 2 0 0 0 7 6 1 0 0 0 8 7 1 0 0 0 7 9 2 0 0 0 11 10 1 0 0 0 12 11 1 0 0 0 11 13 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00149797 > ALDRICH > 217204 > - > - > - > - > 16251893 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 4.3917 -6.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -5.7375 0.0000 Nd 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -6.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -5.6958 0.0000 Nd 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 -6.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 1 2 2 0 0 0 0 4 5 2 0 0 0 0 2 3 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011134 > ALDRICH > 228656 > RIEDEL > 14796 > - > - > 16251893 $$$$