4 3 0 0 0 0 0 0 0 0 1 V2000 0.0016 -0.2030 0.0000 Sc 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. > MFCD00011221 > ALDRICH > 451266 > - > - > - > - > 16253047 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.0016 -0.2030 0.0000 Sc 0 0 0 0 0 0 0 0 0 0 0 0 1.2997 -0.9544 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2997 -0.9544 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 0.9544 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011221 > ALDRICH > 409359 > - > - > - > - > 16253047 $$$$ 25 21 0 0 0 0 0 0 0 0 1 V2000 6.0542 -1.6792 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.8750 -3.2292 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.6750 -1.0250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.7167 -1.6792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2292 -3.2292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0750 -1.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4750 -1.6917 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5083 -3.2042 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2542 -0.9750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0292 -0.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 -1.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -0.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -2.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 -2.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -3.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -1.0542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -0.4875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -1.6167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -3.8417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -1.1792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1000 -2.3042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -1.7375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -3.2542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -2.6667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -1.9292 0.0000 Sc 0 1 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 1 2 0 0 0 0 11 3 2 0 0 0 0 12 3 2 0 0 0 0 13 2 2 0 0 0 0 14 1 2 0 0 0 0 15 2 2 0 0 0 0 16 6 1 0 0 0 0 17 6 1 0 0 0 0 18 6 1 0 0 0 0 19 5 1 0 0 0 0 20 4 1 0 0 0 0 21 4 1 0 0 0 0 22 4 1 0 0 0 0 23 5 1 0 0 0 0 24 5 1 0 0 0 0 M CHG 4 7 -1 8 -1 9 -1 25 3 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00192433 > ALDRICH > 590312 > FLUKA > 84645 > - > - > 16253047 $$$$ 25 21 0 0 0 0 0 0 0 0 1 V2000 6.0542 -1.6792 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.8750 -3.2292 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.6750 -1.0250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.7167 -1.6792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2292 -3.2292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0750 -1.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4750 -1.6917 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5083 -3.2042 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2542 -0.9750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0292 -0.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 -1.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -0.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -2.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 -2.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -3.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -1.0542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -0.4875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -1.6167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -3.8417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -1.1792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1000 -2.3042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -1.7375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -3.2542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -2.6667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -1.9292 0.0000 Sc 0 1 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 1 2 0 0 0 0 11 3 2 0 0 0 0 12 3 2 0 0 0 0 13 2 2 0 0 0 0 14 1 2 0 0 0 0 15 2 2 0 0 0 0 16 6 1 0 0 0 0 17 6 1 0 0 0 0 18 6 1 0 0 0 0 19 5 1 0 0 0 0 20 4 1 0 0 0 0 21 4 1 0 0 0 0 22 4 1 0 0 0 0 23 5 1 0 0 0 0 24 5 1 0 0 0 0 M CHG 4 7 -1 8 -1 9 -1 25 3 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00192433 > ALDRICH > 483354 > FLUKA > 84645 > - > - > 16253047 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -1.4999 0.0000 0.0000 Sc 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4998 0.0000 0.0000 Sc 0 0 0 0 0 0 0 0 0 0 0 0 -2.9999 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011223 > ALDRICH > 294020 > FLUKA > 84630 > - > - > 16253047 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -1.4999 0.0000 0.0000 Sc 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4998 0.0000 0.0000 Sc 0 0 0 0 0 0 0 0 0 0 0 0 -2.9999 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011223 > ALDRICH > 470910 > FLUKA > 84630 > - > - > 16253047 $$$$ 25 21 0 0 0 0 0 0 0 0 1 V2000 6.0542 -1.6792 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.8750 -3.2292 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.6750 -1.0250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.7167 -1.6792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2292 -3.2292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0750 -1.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4750 -1.6917 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5083 -3.2042 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2542 -0.9750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0292 -0.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 -1.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -0.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -2.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 -2.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -3.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -1.0542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -0.4875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -1.6167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -3.8417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -1.1792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1000 -2.3042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -1.7375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -3.2542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -2.6667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -1.9292 0.0000 Sc 0 1 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 1 2 0 0 0 0 11 3 2 0 0 0 0 12 3 2 0 0 0 0 13 2 2 0 0 0 0 14 1 2 0 0 0 0 15 2 2 0 0 0 0 16 6 1 0 0 0 0 17 6 1 0 0 0 0 18 6 1 0 0 0 0 19 5 1 0 0 0 0 20 4 1 0 0 0 0 21 4 1 0 0 0 0 22 4 1 0 0 0 0 23 5 1 0 0 0 0 24 5 1 0 0 0 0 M CHG 4 7 -1 8 -1 9 -1 25 3 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00192433 > ALDRICH > 418218 > FLUKA > 84645 > - > - > 16253047 $$$$ 32 22 0 0 0 0 0 0 0 0 1 V2000 6.6751 -3.6584 0.0000 Sc 0 1 0 0 0 0 0 0 0 0 0 0 4.8234 -2.2725 0.0000 Sc 0 1 0 0 0 0 0 0 0 0 0 0 3.6008 -2.4069 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.2008 -2.4069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0008 -2.4069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6008 -3.0069 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6008 -1.8069 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.5961 -2.3852 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.5938 -2.9852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5984 -1.7852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9961 -2.3829 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1961 -2.3875 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1331 -3.9103 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.1356 -4.5103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1305 -3.3103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 -3.9077 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5331 -3.9128 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.7646 -1.2008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2995 -1.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8023 -1.1450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4747 -3.3890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9937 -3.7477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0638 -4.3436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1405 -1.3539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9765 -1.9310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3943 -2.3617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 -4.4761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9271 -3.8769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3923 -3.6050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3382 -4.9801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8287 -4.6633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5119 -5.1729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 3 7 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 8 12 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 M CHG 8 1 3 2 3 6 -1 7 -1 11 -1 12 -1 16 -1 17 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00213810 > ALDRICH > 325910 > - > - > - > - > 16253047 $$$$ 40 39 0 0 0 0 0 0 0 0 1 V2000 -0.7083 -2.3795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4253 -1.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4253 -1.1406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0086 -1.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0086 -1.1406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0098 -0.2236 0.0000 Sc 0 0 0 0 0 0 0 0 0 0 0 0 -1.8283 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1113 1.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3969 1.0286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8283 0.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1138 -0.2132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8283 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1113 1.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3969 1.0286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8283 0.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1138 -0.2132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1113 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9363 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1113 3.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2863 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1113 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2863 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1113 3.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9363 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5453 -0.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9578 0.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2597 -0.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1328 -0.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7256 -2.3795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1381 -1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4401 -2.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3131 -3.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1422 -2.3795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7297 -3.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8567 -2.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5547 -1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5453 -0.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1328 -0.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2597 -0.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9578 0.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 33 2 1 0 0 0 2 3 2 0 0 0 4 1 2 0 0 0 29 4 1 0 0 0 4 5 1 0 0 0 8 7 1 0 0 0 17 8 1 0 0 0 8 9 2 0 0 0 10 7 2 0 0 0 37 10 1 0 0 0 10 11 1 0 0 0 13 12 1 0 0 0 21 13 1 0 0 0 13 14 2 0 0 0 15 12 2 0 0 0 25 15 1 0 0 0 15 16 1 0 0 0 6 11 1 0 0 0 6 16 1 0 0 0 6 5 1 0 0 0 17 18 1 0 0 0 17 19 1 0 0 0 17 20 1 0 0 0 21 22 1 0 0 0 21 23 1 0 0 0 21 24 1 0 0 0 25 26 1 0 0 0 25 27 1 0 0 0 25 28 1 0 0 0 29 30 1 0 0 0 29 31 1 0 0 0 29 32 1 0 0 0 33 34 1 0 0 0 33 35 1 0 0 0 33 36 1 0 0 0 37 38 1 0 0 0 37 39 1 0 0 0 37 40 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00169875 > ALDRICH > 517607 > - > - > - > - > 16253047 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 -0.8803 -0.5466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1659 -0.1341 0.0000 Sc 0 0 0 0 0 0 0 0 0 0 0 0 -0.1659 0.6880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8803 -0.5466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1659 1.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8779 1.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5461 1.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4637 -1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2578 -0.9172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2509 -1.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4637 -1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2509 -1.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2578 -0.9172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 2 3 1 0 0 0 4 2 1 0 0 0 4 8 1 0 0 0 1 11 1 0 0 0 3 5 1 0 0 0 5 6 1 0 0 0 5 7 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00192432 > ALDRICH > 410128 > - > - > - > - > 16253047 $$$$ 14 12 0 0 0 0 0 0 0 0 1 V2000 -2.8837 -0.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1692 0.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4548 -0.3165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1692 0.9181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 -0.3165 0.0000 Sc 0 0 0 0 0 0 0 0 0 0 0 0 -2.8407 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1262 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4118 -2.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1262 -1.7029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7118 1.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9973 2.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2829 1.7029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9973 2.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8837 0.7776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 2 0 0 0 7 6 1 0 0 0 8 7 1 0 0 0 7 9 2 0 0 0 11 10 1 0 0 0 12 11 1 0 0 0 11 13 2 0 0 0 3 5 1 0 0 0 12 5 1 0 0 0 8 5 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00150122 > ALDRICH > 325899 > - > - > - > - > 16253047 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.2878 0.0000 Sc 0 0 0 0 0 0 0 0 0 0 0 0 1.2981 -1.0394 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 -1.0394 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0394 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00016325 > ALDRICH > 432105 > - > - > - > - > 16253047 $$$$ 40 39 0 0 0 0 0 0 0 0 1 V2000 7.1052 -3.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5052 -3.3021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4052 -3.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1052 -4.3413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5052 -4.3413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3989 -2.7933 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3989 -4.8501 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3180 -1.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3187 -2.4983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7980 -1.5990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2788 -1.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2795 -2.4996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8264 -1.6040 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7696 -1.6064 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3739 -3.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9739 -3.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0739 -3.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3739 -4.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9739 -4.3705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0802 -2.8225 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0802 -4.8793 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7552 -3.4675 0.0000 Sc 0 0 0 0 0 0 0 0 0 0 0 0 4.3739 -2.3137 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4927 -2.8225 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -2.4042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4927 -4.8793 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3739 -5.3881 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7833 -5.3875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1052 -5.3589 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.9864 -4.8501 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6875 -5.3583 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.9864 -2.7933 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1052 -2.2845 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.8083 -2.3750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3356 -1.8971 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8257 -1.0165 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3916 -1.4458 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7689 -1.0189 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2612 -1.9008 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 -1.1875 0.0000 F 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. > MFCD00070432 > ALDRICH > 541818 > - > - > - > - > 16253047 $$$$ 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 Sc 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 -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 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 -1.2342 -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 -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 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 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 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 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 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 -6.0037 6.5671 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 -6.7182 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 -6.7157 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. > MFCD03427088 > ALDRICH > 547751 > - > - > - > - > 16253047 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -1.4999 0.0000 0.0000 Sc 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4998 0.0000 0.0000 Sc 0 0 0 0 0 0 0 0 0 0 0 0 -2.9999 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011223 > ALDRICH > 307874 > FLUKA > 84630 > - > - > 16253047 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -0.2055 0.0000 0.0000 Sc 0 0 0 0 0 0 0 0 0 0 0 0 -0.6166 -0.7120 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.6166 0.7120 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00016324 > ALDRICH > 517518 > - > - > - > - > 16253047 $$$$ 1 0 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 Sc 0 0 0 0 0 0 0 0 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00016323 > RIEDEL > 10492 > - > - > - > - > 16253047 $$$$ 25 23 0 0 0 0 0 0 0 0 1 V2000 5.2232 -4.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7036 -4.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1840 -4.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7036 -3.8866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7428 -4.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2624 -4.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7428 -3.8866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7437 -3.2220 0.0000 Sc 0 0 0 0 0 0 0 0 0 0 0 0 4.4115 -2.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9311 -2.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9311 -1.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4489 -2.3145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4115 -2.9155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8919 -3.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9293 -3.2145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0616 -2.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5420 -2.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5420 -1.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0242 -2.3145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0616 -2.9155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5812 -3.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5438 -3.2145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3339 -4.1187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8535 -3.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3713 -4.1177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 2 4 2 0 0 0 0 5 1 2 0 0 0 0 6 5 1 0 0 0 0 5 7 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 10 12 2 0 0 0 0 13 9 2 0 0 0 0 14 13 1 0 0 0 0 13 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 17 19 2 0 0 0 0 20 16 2 0 0 0 0 21 20 1 0 0 0 0 20 22 1 0 0 0 0 8 15 1 0 0 0 0 8 22 1 0 0 0 0 8 7 1 0 0 0 0 2 1 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03427178 > ALDRICH > 556904 > - > - > - > - > 16253047 $$$$ 16 15 0 0 0 0 0 0 0 0 1 V2000 2.3174 1.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2089 1.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7925 0.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1609 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6174 0.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8940 -1.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7854 -0.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3690 -1.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7374 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1940 -1.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5501 -1.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4415 -1.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0251 -1.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3935 -1.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8501 -1.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -0.3125 0.0000 Sc 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 10 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 5 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 15 1 0 0 0 0 M RAD 8 1 2 2 2 3 2 4 2 5 2 6 2 7 2 8 2 M RAD 7 9 2 10 2 11 2 12 2 13 2 14 2 15 2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00145479 > ALDRICH > 410152 > - > - > - > - > 16253047 $$$$ 24 23 0 0 0 0 0 0 0 0 1 V2000 5.8583 -5.9917 0.0000 Sc 0 0 0 0 0 0 0 0 0 0 0 0 4.4833 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6458 -4.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2250 -3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0167 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6000 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3917 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3083 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -5.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8208 -4.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9250 -5.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -5.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2750 -5.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5875 -5.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 -7.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -8.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -7.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -6.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 -6.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 2 1 0 0 0 0 13 2 1 0 0 0 0 14 3 1 0 0 0 0 15 3 1 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 18 15 1 0 0 0 0 19 12 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 23 24 1 0 0 0 0 24 20 1 0 0 0 0 19 16 1 0 0 0 0 18 17 1 0 0 0 0 23 22 1 0 0 0 0 M RAD 8 2 2 3 2 12 2 13 2 14 2 15 2 16 2 17 2 M RAD 7 18 2 19 2 20 2 21 2 22 2 23 2 24 2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD02683497 > ALDRICH > 527386 > - > - > - > - > 16253047 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.2878 0.0000 Sc 0 0 0 0 0 0 0 0 0 0 0 0 1.2981 -1.0394 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 -1.0394 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0394 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00054037 > ALDRICH > 439673 > - > - > - > - > 16253047 $$$$ 7 5 0 0 0 0 0 0 0 0 1 V2000 2.5025 -0.4771 0.0000 Sc 0 0 0 0 0 0 0 0 0 0 0 0 2.4887 0.1228 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0302 -0.7581 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9935 -0.7908 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -0.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 -0.4792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9333 -0.4792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 5 6 1 0 0 0 0 1 2 1 0 0 0 0 5 7 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00149851 > ALDRICH > 307858 > - > - > - > - > 16253047 $$$$ 7 5 0 0 0 0 0 0 0 0 1 V2000 2.5025 -0.4771 0.0000 Sc 0 0 0 0 0 0 0 0 0 0 0 0 2.4887 0.1228 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0302 -0.7581 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9935 -0.7908 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -0.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 -0.4792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9333 -0.4792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 5 6 1 0 0 0 0 1 2 1 0 0 0 0 5 7 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00149851 > ALDRICH > 229849 > - > - > - > - > 16253047 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -0.2055 0.0000 0.0000 Sc 0 0 0 0 0 0 0 0 0 0 0 0 -0.6166 -0.7120 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.6166 0.7120 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00016324 > ALDRICH > 517526 > - > - > - > - > 16253047 $$$$