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 Y 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. > MFCD00150128 > ALDRICH > 326046 > - > - > - > - > 16254947 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.2878 0.0000 Y 0 0 0 0 0 0 0 0 0 0 0 0 1.2981 -1.0394 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 -1.0394 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0394 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011470 > ALDRICH > 451363 > - > - > - > - > 16254947 $$$$ 40 39 0 0 0 0 0 0 0 0 1 V2000 3.9344 -2.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3344 -2.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2344 -3.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9344 -3.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3344 -3.5913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2281 -2.0433 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2281 -4.1001 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1472 -1.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1479 -1.7483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6272 -0.8490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 -1.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1087 -1.7496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6556 -0.8540 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5988 -0.8564 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2031 -2.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8031 -2.5812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9031 -3.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2031 -3.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8031 -3.6205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9094 -2.0725 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9094 -4.1293 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5844 -2.7175 0.0000 Y 0 0 0 0 0 0 0 0 0 0 0 0 1.2031 -1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3219 -2.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3219 -4.1293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2031 -4.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -4.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9344 -4.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8156 -4.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -4.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8156 -2.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9344 -1.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1648 -1.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6549 -0.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5981 -0.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0904 -1.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10 11 2 0 0 0 0 19 22 1 0 0 0 0 12 22 1 0 0 0 0 5 22 1 0 0 0 0 11 12 1 0 0 0 0 20 23 1 0 0 0 0 1 2 2 0 0 0 0 20 24 1 0 0 0 0 8 13 1 0 0 0 0 20 25 1 0 0 0 0 4 7 1 0 0 0 0 21 26 1 0 0 0 0 11 14 1 0 0 0 0 21 27 1 0 0 0 0 1 3 1 0 0 0 0 21 28 1 0 0 0 0 3 4 2 0 0 0 0 7 29 1 0 0 0 0 4 5 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 1 6 1 0 0 0 0 6 32 1 0 0 0 0 15 16 2 0 0 0 0 6 33 1 0 0 0 0 15 17 1 0 0 0 0 6 34 1 0 0 0 0 17 18 2 0 0 0 0 13 35 1 0 0 0 0 18 19 1 0 0 0 0 13 36 1 0 0 0 0 8 9 2 0 0 0 0 13 37 1 0 0 0 0 15 20 1 0 0 0 0 14 38 1 0 0 0 0 8 10 1 0 0 0 0 14 39 1 0 0 0 0 18 21 1 0 0 0 0 14 40 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00015713 > ALDRICH > 373826 > - > - > - > - > 16254947 $$$$ 58 53 0 0 0 0 0 0 0 0 1 V2000 -6.8940 4.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1795 4.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4650 4.9614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7506 4.5489 0.0000 Y 0 0 0 0 0 0 0 0 0 0 0 0 -4.0361 4.9614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3216 4.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6071 4.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7506 3.7268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1795 3.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3216 3.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3381 3.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6236 2.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7491 2.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7506 4.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4650 4.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1795 4.9184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8940 4.5059 0.0000 Y 0 0 0 0 0 0 0 0 0 0 0 0 5.4650 3.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8940 3.6838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7651 0.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0506 0.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3361 0.7505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6217 0.3380 0.0000 Y 0 0 0 0 0 0 0 0 0 0 0 0 -3.9072 0.7505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1927 0.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4782 0.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6217 -0.4842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0506 -0.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1927 -0.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2092 -1.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4947 -1.6111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6202 -1.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1908 1.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5236 1.4981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2381 1.9106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9526 1.4981 0.0000 Y 0 0 0 0 0 0 0 0 0 0 0 0 2.6670 1.9106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3815 1.4981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0960 1.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9526 0.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5236 0.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3815 0.6731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3651 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0795 -0.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9540 -0.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0619 -2.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6525 -2.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 -2.3003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0815 -2.7128 0.0000 Y 0 0 0 0 0 0 0 0 0 0 0 0 2.7959 -2.3003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5104 -2.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2249 -2.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0815 -3.5349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6525 -3.5349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5104 -3.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4940 -4.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2084 -4.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0829 -4.9614 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 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 4 8 1 0 0 0 2 9 1 0 0 0 6 10 1 0 0 0 8 11 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 15 14 1 0 0 0 16 15 1 0 0 0 17 16 1 0 0 0 15 18 1 0 0 0 17 19 2 0 0 0 21 20 1 0 0 0 22 21 1 0 0 0 23 22 1 0 0 0 24 23 1 0 0 0 25 24 1 0 0 0 26 25 1 0 0 0 23 27 1 0 0 0 21 28 1 0 0 0 25 29 1 0 0 0 27 30 1 0 0 0 30 31 1 0 0 0 30 32 1 0 0 0 34 33 1 0 0 0 35 34 1 0 0 0 36 35 1 0 0 0 37 36 1 0 0 0 38 37 1 0 0 0 39 38 1 0 0 0 36 40 1 0 0 0 34 41 1 0 0 0 38 42 1 0 0 0 40 43 1 0 0 0 43 44 1 0 0 0 43 45 1 0 0 0 47 46 1 0 0 0 48 47 1 0 0 0 49 48 1 0 0 0 50 49 1 0 0 0 51 50 1 0 0 0 52 51 1 0 0 0 49 53 1 0 0 0 47 54 1 0 0 0 51 55 1 0 0 0 53 56 1 0 0 0 56 57 1 0 0 0 56 58 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00134499 > ALDRICH > 379425 > - > - > - > - > 16254947 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.4055 0.0000 Y 0 0 0 0 0 0 0 0 0 0 0 0 1.2985 -1.1563 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.2985 -1.1563 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.1563 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00054144 > ALDRICH > 413011 > - > - > - > - > 16254947 $$$$ 23 21 0 0 0 0 0 0 0 0 1 V2000 -1.0613 0.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3469 -0.1754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0613 1.0593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7359 -0.1754 0.0000 Y 0 0 0 0 0 0 0 0 0 0 0 0 -1.1473 -1.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4328 -2.0660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1473 -0.8314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0184 1.9559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3039 1.5434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0184 2.7780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7328 1.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3218 0.8314 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4448 1.1323 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1439 2.2554 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8617 -2.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4507 -2.7780 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5737 -2.4771 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2728 -1.3540 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7758 -0.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3647 -0.8874 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4878 -0.5865 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1869 0.5366 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5737 0.2313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 1 3 2 0 0 0 6 5 1 0 0 0 5 7 2 0 0 0 9 8 1 0 0 0 8 10 2 0 0 0 2 4 1 0 0 0 9 4 1 0 0 0 6 4 1 0 0 0 8 11 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 11 14 1 0 0 0 5 15 1 0 0 0 15 16 1 0 0 0 15 17 1 0 0 0 15 18 1 0 0 0 1 19 1 0 0 0 19 20 1 0 0 0 19 21 1 0 0 0 19 22 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 11 12 13 14 M SBL 1 1 10 M SMT 1 ^CF3 M SBV 1 10 -6.5107 4.4078 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 15 16 17 18 M SBL 2 1 14 M SMT 2 ^CF3 M SBV 2 14 -6.5107 4.4078 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 19 20 21 22 M SBL 3 1 18 M SMT 3 ^CF3 M SBV 3 18 -6.5107 4.4078 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00192577 > ALDRICH > 395366 > - > - > - > - > 16254947 $$$$ 28 27 0 0 0 0 0 0 0 0 1 V2000 1.9101 -6.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7367 -6.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9163 -7.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 -7.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5881 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6733 -7.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7675 -8.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -8.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -9.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -7.9959 0.0000 Y 0 0 0 0 0 0 0 0 0 0 0 0 1.6504 -9.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 -10.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3153 -9.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 -8.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4026 -8.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4458 -9.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6583 -10.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -10.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -11.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3065 -6.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 -6.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6997 -7.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0117 -7.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6286 -7.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4567 -7.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5509 -8.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 -8.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2583 -9.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 11 1 0 0 0 0 4 5 1 0 0 0 0 11 16 1 0 0 0 0 5 1 1 0 0 0 0 16 17 1 0 0 0 0 3 6 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 6 7 1 0 0 0 0 1 2 1 0 0 0 0 25 26 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 20 1 0 0 0 0 22 25 1 0 0 0 0 2 3 1 0 0 0 0 26 27 1 0 0 0 0 3 4 1 0 0 0 0 27 28 1 0 0 0 0 M RAD 8 1 2 2 2 3 2 4 2 5 2 11 2 12 2 13 2 M RAD 7 14 2 15 2 20 2 21 2 22 2 23 2 24 2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00145473 > ALDRICH > 524522 > - > - > - > - > 16254947 $$$$ 21 15 0 0 0 0 0 0 0 0 1 V2000 -3.1849 -3.0340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4349 -1.7350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 -1.7350 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.1849 -0.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4349 0.8629 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.6849 -0.4360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5949 4.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8449 3.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5949 1.9549 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6549 3.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4049 1.9549 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4049 4.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4329 -0.4570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9329 -0.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1829 0.8420 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1829 -1.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6829 -1.7559 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9329 -3.0549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1229 0.0049 0.0000 Y 0 1 0 0 0 0 0 0 0 0 0 0 0.8770 0.0549 0.0000 Y 0 1 0 0 0 0 0 0 0 0 0 0 4.3369 2.0550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00150500 > ALDRICH > 480924 > - > - > - > - > 16254947 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -0.2055 0.0000 0.0000 Y 0 0 0 0 0 0 0 0 0 0 0 0 -0.6166 -0.7120 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.6166 0.7120 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00049710 > ALDRICH > 450081 > - > - > - > - > 16254947 $$$$ 31 21 0 0 0 0 0 0 0 0 1 V2000 4.5500 -2.7792 0.0000 Y 0 1 0 0 0 0 0 0 0 0 0 0 2.5109 -2.0089 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0250 -1.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0208 -1.7167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5266 -2.0161 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.9151 -1.8214 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4292 -0.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -1.5292 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9308 -1.8286 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.0984 -1.8506 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.6125 -0.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6083 -1.5583 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.1141 -1.8578 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0500 -3.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 -3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5583 -3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8583 -2.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3458 -2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -2.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 -2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4333 -2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 -3.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3458 -3.7875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -3.7875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5458 -3.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0333 -3.6958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0542 -3.6958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6083 -2.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0958 -2.7875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 -2.7875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 3 4 2 0 0 0 0 14 16 1 0 0 0 0 4 2 1 0 0 0 0 4 5 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 7 8 2 0 0 0 0 8 6 1 0 0 0 0 23 24 1 0 0 0 0 8 9 1 0 0 0 0 23 25 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 11 12 2 0 0 0 0 29 30 1 0 0 0 0 12 10 1 0 0 0 0 29 31 1 0 0 0 0 M CHG 8 1 3 2 -1 4 1 5 -1 6 -1 8 1 9 -1 10 -1 M CHG 2 12 1 13 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00149940 > RIEDEL > 10466 > - > - > - > - > 16254947 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -0.2055 0.0000 0.0000 Y 0 0 0 0 0 0 0 0 0 0 0 0 -0.6166 -0.7120 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.6166 0.7120 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00049710 > ALDRICH > 451355 > - > - > - > - > 16254947 $$$$ 16 15 0 0 0 0 0 0 0 0 1 V2000 3.2285 -0.1378 0.0000 Y 0 0 0 0 0 0 0 0 0 0 0 0 2.3174 1.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2089 1.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7925 0.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1609 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6174 0.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8940 -1.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7854 -0.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3690 -1.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7374 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1940 -1.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5501 -1.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4415 -1.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0251 -1.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3935 -1.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8501 -1.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 11 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 16 1 0 0 0 0 M RAD 8 2 2 3 2 4 2 5 2 6 2 7 2 8 2 9 2 M RAD 7 10 2 11 2 12 2 13 2 14 2 15 2 16 2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00058706 > ALDRICH > 491969 > - > - > - > - > 16254947 $$$$ 1 0 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 Y 0 0 0 0 0 0 0 0 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011468 > ALDRICH > 693642 > - > - > - > - > 16254947 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.4055 0.0000 Y 0 0 0 0 0 0 0 0 0 0 0 0 1.2985 -1.1563 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2985 -1.1563 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.1563 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00049714 > ALDRICH > 326062 > - > - > - > - > 16254947 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.4055 0.0000 Y 0 0 0 0 0 0 0 0 0 0 0 0 1.2985 -1.1563 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2985 -1.1563 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.1563 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00049714 > ALDRICH > 451371 > - > - > - > - > 16254947 $$$$ 42 39 0 0 0 0 0 0 0 0 1 V2000 4.6329 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5470 1.5821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0904 -1.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8049 -1.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8049 -0.7241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3759 -1.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3759 -0.7241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3747 0.1897 0.0000 Y 0 0 0 0 0 0 0 0 0 0 0 0 -3.2065 1.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 1.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 1.4376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2065 0.6111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4945 0.2001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4374 1.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2771 1.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 1.4376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4374 0.6111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2746 0.2001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 2.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6699 2.6708 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 1.8486 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.3141 2.6708 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6614 -1.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2504 -1.2468 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0505 -2.3698 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0725 -2.6708 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1519 0.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5630 0.9106 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8639 -0.2124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7408 -0.5134 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.5193 -1.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1083 -2.6708 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.2313 -2.3698 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.9304 -1.2468 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.2771 2.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5451 2.6708 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.2771 1.8486 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0992 2.6708 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.9209 0.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5099 -0.5134 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.6329 -0.2124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.3320 0.9106 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4 3 1 0 0 0 4 5 2 0 0 0 6 3 2 0 0 0 6 7 1 0 0 0 10 9 1 0 0 0 10 11 2 0 0 0 12 9 2 0 0 0 12 13 1 0 0 0 15 14 1 0 0 0 15 16 2 0 0 0 17 14 2 0 0 0 17 18 1 0 0 0 8 13 1 0 0 0 8 18 1 0 0 0 8 7 1 0 0 0 10 19 1 0 0 0 19 20 1 0 0 0 19 21 1 0 0 0 19 22 1 0 0 0 6 23 1 0 0 0 23 24 1 0 0 0 23 25 1 0 0 0 23 26 1 0 0 0 17 27 1 0 0 0 27 28 1 0 0 0 27 29 1 0 0 0 27 30 1 0 0 0 4 31 1 0 0 0 31 32 1 0 0 0 31 33 1 0 0 0 31 34 1 0 0 0 15 35 1 0 0 0 35 36 1 0 0 0 35 37 1 0 0 0 35 38 1 0 0 0 12 39 1 0 0 0 39 40 1 0 0 0 39 41 1 0 0 0 39 42 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 19 20 21 22 M SBL 1 1 16 M SMT 1 CF3 M SBV 1 16 -7.6065 6.2384 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 23 24 25 26 M SBL 2 1 20 M SMT 2 CF3 M SBV 2 20 -6.8921 5.0038 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 27 28 29 30 M SBL 3 1 24 M SMT 3 CF3 M SBV 3 24 -6.8921 5.0038 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 4 31 32 33 34 M SBL 4 1 28 M SMT 4 ^CF3 M SBV 4 28 -8.3210 5.0038 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 4 35 36 37 38 M SBL 5 1 32 M SMT 5 CF3 M SBV 5 32 -7.6065 6.2384 M STY 1 6 SUP M SLB 1 6 6 M SAL 6 4 39 40 41 42 M SBL 6 1 36 M SMT 6 ^CF3 M SBV 6 36 -8.3210 5.0038 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00151015 > ALDRICH > 345601 > - > - > - > - > 16254947 $$$$ 31 30 0 0 0 0 0 0 0 0 1 V2000 0.7120 1.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 2.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 1.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 3.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 0.6166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 1.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 3.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 4.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.2055 0.0000 Y 0 0 0 0 0 0 0 0 0 0 0 0 -2.1360 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1360 -1.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -1.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 0.6166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.6166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -2.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -3.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -1.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -2.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 -1.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 -3.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.8498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.6166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 -3.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 -4.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 2 5 1 0 3 6 2 0 3 7 1 0 4 8 1 0 5 9 1 0 9 10 1 0 7 11 1 0 12 13 1 0 12 14 1 0 12 15 1 0 13 16 1 0 14 17 2 0 14 18 1 0 15 19 1 0 16 20 1 0 20 21 1 0 22 23 1 0 22 24 1 0 22 25 1 0 23 26 1 0 24 27 2 0 24 28 1 0 25 29 1 0 26 30 1 0 30 31 1 0 28 11 1 0 18 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00070441 > ALDRICH > 347086 > - > - > - > - > 16254947 $$$$ 25 21 0 0 0 0 0 0 0 0 1 V2000 -0.3144 0.2787 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -0.1338 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.3144 1.1037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3144 -0.5463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0289 -0.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6178 -0.8458 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7409 -0.5449 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 0.5781 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7409 -0.0178 0.0000 Y 0 1 0 0 0 0 0 0 0 0 0 0 -0.2715 -2.4713 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 -2.8838 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.2715 -1.6463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2715 -3.2963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9859 -2.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5749 -3.5958 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6979 -3.2949 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3970 -2.1719 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.2715 2.7708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 2.3583 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.2715 3.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2715 1.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9859 2.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5749 1.6463 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6979 1.9473 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3970 3.0703 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 1 3 2 0 0 0 1 4 2 0 0 0 1 5 1 0 0 0 5 6 1 0 0 0 5 7 1 0 0 0 5 8 1 0 0 0 11 10 1 0 0 0 10 12 2 0 0 0 10 13 2 0 0 0 10 14 1 0 0 0 14 15 1 0 0 0 14 16 1 0 0 0 14 17 1 0 0 0 19 18 1 0 0 0 18 20 2 0 0 0 18 21 2 0 0 0 18 22 1 0 0 0 22 23 1 0 0 0 22 24 1 0 0 0 22 25 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 5 6 7 8 M SBL 1 1 4 M SMT 1 ^CF3 M SBV 1 4 -10.9833 10.8132 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 14 15 16 17 M SBL 2 1 11 M SMT 2 ^CF3 M SBV 2 11 -10.9833 10.8132 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 22 23 24 25 M SBL 3 1 18 M SMT 3 ^CF3 M SBV 3 18 -10.9833 10.8132 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00209623 > ALDRICH > 425745 > FLUKA > 95840 > - > - > 16254947 $$$$ 22 15 0 0 0 0 0 0 0 0 1 V2000 4.7667 -2.9958 0.0000 Y 0 0 0 0 0 0 0 0 0 0 0 0 5.2755 -2.7021 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2579 -2.7021 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -3.5833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -1.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2583 -1.7875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -1.7875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -1.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 -1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -1.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -1.8833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6500 -1.8833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -4.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 -4.5042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8375 -4.5042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -4.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -4.6292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2750 -4.6292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8958 -4.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3833 -4.5042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -4.5042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 8 10 1 0 0 0 0 1 3 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 1 4 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 5 6 1 0 0 0 0 17 18 1 0 0 0 0 5 7 1 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 8 9 1 0 0 0 0 20 22 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00149941 > RIEDEL > 14802 > - > - > - > - > 16254947 $$$$ 22 21 0 0 0 0 0 0 0 0 1 V2000 -0.9546 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2401 -0.0465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9546 1.1882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0888 0.1684 0.0000 Y 0 0 0 0 0 0 0 0 0 0 0 0 1.2369 -1.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9513 -2.3238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2369 -1.0892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6665 2.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 1.8012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6665 3.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9521 1.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3631 1.0892 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2401 1.3901 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5410 2.5132 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 -0.0465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2580 -0.7585 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 -0.4575 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0801 0.6655 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5224 -2.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9335 -3.0358 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1896 -2.7349 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1113 -1.6118 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 1 3 2 0 0 0 6 5 1 0 0 0 5 7 2 0 0 0 9 8 1 0 0 0 8 10 2 0 0 0 2 4 1 0 0 0 4 9 1 0 0 0 4 6 1 0 0 0 8 11 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 11 14 1 0 0 0 1 15 1 0 0 0 15 16 1 0 0 0 15 17 1 0 0 0 15 18 1 0 0 0 5 19 1 0 0 0 19 20 1 0 0 0 19 21 1 0 0 0 19 22 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 11 12 13 14 M SBL 1 1 10 M SMT 1 ^CF3 M SBV 1 10 -5.9313 5.1383 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 15 16 17 18 M SBL 2 1 14 M SMT 2 ^CF3 M SBV 2 14 -5.9313 5.1383 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 19 20 21 22 M SBL 3 1 18 M SMT 3 ^CF3 M SBV 3 18 -5.9313 5.1383 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD05663780 > ALDRICH > 659886 > - > - > - > - > 16254947 $$$$ 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 Y 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 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 -0.3454 -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 1.1241 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 -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 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 4 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 3 13 1 0 0 0 13 14 1 0 0 0 13 15 1 0 0 0 13 16 1 0 0 0 1 17 1 0 0 0 17 18 1 0 0 0 17 19 1 0 0 0 17 20 1 0 0 0 4 21 1 0 0 0 21 22 1 0 0 0 21 23 1 0 0 0 21 24 1 0 0 0 1 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 -6.0037 5.7450 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 -6.7182 5.3325 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 -5.2917 5.3339 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 6.5671 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00210649 > ALDRICH > 524514 > - > - > - > - > 16254947 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 -0.7132 -1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.8221 0.0000 Y 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -1.2332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4252 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1372 -1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4252 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4252 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4252 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1372 -1.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 1 5 1 0 5 6 1 0 5 7 1 0 8 9 1 0 8 10 1 0 3 8 1 0 4 11 1 0 11 12 1 0 11 13 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 5 6 7 M SBL 1 1 4 M SMT 1 ^i-Pr M SBV 1 4 0.7120 -0.4111 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 8 9 10 M SBL 2 1 9 M SMT 2 i-Pr M SBV 2 9 -0.7120 -0.4111 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 3 11 12 13 M SBL 3 1 10 M SMT 3 i-Pr M SBV 3 10 -0.7145 -0.4125 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00015641 > ALDRICH > 665916 > - > - > - > - > 16254947 $$$$ 23 21 0 0 0 0 0 0 0 0 1 V2000 -2.1015 -2.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8159 -1.9037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5304 -2.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8159 -1.0816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3870 -1.9037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6725 -2.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3870 -1.0816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3858 -0.1678 0.0000 Y 0 0 0 0 0 0 0 0 0 0 0 0 -3.2176 1.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5031 1.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5031 2.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7911 1.0801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2176 0.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9320 -0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5056 -0.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4263 1.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2881 1.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2881 2.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0001 1.0801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4263 0.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1408 -0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2857 -0.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9320 0.0401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 2 0 0 0 5 1 2 0 0 0 6 5 1 0 0 0 5 7 1 0 0 0 10 9 1 0 0 0 11 10 1 0 0 0 10 12 2 0 0 0 13 9 2 0 0 0 14 13 1 0 0 0 13 15 1 0 0 0 17 16 1 0 0 0 18 17 1 0 0 0 17 19 2 0 0 0 20 16 2 0 0 0 21 20 1 0 0 0 20 22 1 0 0 0 8 15 1 0 0 0 8 22 1 0 0 0 8 7 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00216639 > ALDRICH > 438790 > - > - > - > - > 16254947 $$$$