13 10 0 0 0 0 0 0 0 0 1 V2000 7.0042 -7.2333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 -6.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4292 -7.2333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9502 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2369 -5.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6665 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5207 -6.1500 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 4.5532 -6.6792 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1082 -5.4367 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9332 -6.8633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2394 -6.1797 0.0000 Ba 0 2 0 0 0 0 0 0 0 0 0 0 8.3800 -6.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2023 -6.1496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 6 12 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 12 13 3 0 0 0 0 G 12 6 CN M CHG 3 8 -1 9 -1 11 2 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 12 13 M SBL 1 1 7 M SMT 1 CN M SBV 1 7 -0.7100 0.4100 M END > (C) 2008 SIGMA-ALDRICH CO. > 16244021 > MFCD00150047 > A > 146234 > - > - > - > - $$$$ 27 25 0 0 0 0 0 0 0 0 1 V2000 5.7167 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -6.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 -6.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -4.8042 0.0000 Ba 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -2.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0458 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 -4.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9875 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -6.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 -7.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -6.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -4.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8917 -4.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1792 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 -4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6042 -4.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 9 10 1 0 0 0 0 10 6 1 0 0 0 0 12 1 1 0 0 0 0 13 2 1 0 0 0 0 14 3 1 0 0 0 0 15 4 1 0 0 0 0 16 9 1 0 0 0 0 17 10 1 0 0 0 0 18 6 1 0 0 0 0 19 7 1 0 0 0 0 20 8 1 0 0 0 0 21 5 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 22 1 0 0 0 0 26 22 1 0 0 0 0 27 23 1 0 0 0 0 4 3 1 0 0 0 0 9 8 1 0 0 0 0 M RAD 8 1 2 2 2 3 2 4 2 5 2 6 2 7 2 8 2 M RAD 2 9 2 10 2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16244021 > MFCD02684523 > A > 526762 > - > - > - > - $$$$ 11 8 0 0 0 0 0 0 0 0 1 V2000 0.7500 -0.7199 0.0000 Pt 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -0.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 0.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -0.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -2.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.5789 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0490 1.5299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.0190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 -2.9700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7300 0.4799 0.0000 Ba 0 0 0 0 0 0 0 0 0 0 0 0 4.2899 0.5399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 3 0 0 0 0 3 7 3 0 0 0 0 4 8 3 0 0 0 0 5 9 3 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16244021 > MFCD00674073 > A > 462780 > - > - > - > - $$$$ 33 35 0 0 0 0 0 0 0 0 1 V2000 9.0250 -5.7167 0.0000 Al 0 5 0 0 0 0 0 0 0 0 0 0 2.9250 -5.6500 0.0000 Al 0 5 0 0 0 0 0 0 0 0 0 0 9.7917 -5.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0292 -6.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6125 -5.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -5.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -6.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -5.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 -6.4792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 11.0167 -6.5417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.1500 -5.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -5.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7917 -6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4375 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 -5.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -7.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6125 -7.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -6.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4625 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -5.8542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.4375 -7.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 -5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 -7.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4167 -5.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0167 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -4.5542 0.0000 Ba 0 2 0 0 0 0 0 0 0 0 0 0 7.5417 -6.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -6.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -6.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 2 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 11 1 1 0 0 0 0 12 20 1 0 0 0 0 13 3 1 0 0 0 0 14 5 1 0 0 0 0 15 6 1 0 0 0 0 16 7 1 0 0 0 0 17 4 1 0 0 0 0 18 8 1 0 0 0 0 19 11 1 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 22 17 1 0 0 0 0 23 15 1 0 0 0 0 24 16 1 0 0 0 0 25 18 1 0 0 0 0 26 13 1 0 0 0 0 27 14 1 0 0 0 0 29 33 1 0 0 0 0 30 21 1 0 0 0 0 31 19 1 0 0 0 0 32 21 1 0 0 0 0 33 32 1 0 0 0 0 27 10 1 0 0 0 0 10 22 1 0 0 0 0 9 24 1 0 0 0 0 23 9 1 0 0 0 0 M CHG 3 1 -1 2 -1 28 2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16244021 > MFCD01632653 > A > 477451 > - > - > - > - $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 1.2799 -0.0399 0.0000 Ba 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 1.2580 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16244021 > MFCD00014192 > A > 523437 > - > - > - > - $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 4.1750 -5.0875 0.0000 Ba 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -5.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16244021 > MFCD00003453 > A > 223603 > R > 11425 > - > - $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 0.1000 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6375 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6167 0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0375 0.7917 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7667 -0.7667 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6375 -1.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 1.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 0.8708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 -0.8500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 0.1792 0.0000 Ba 0 2 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 5 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 5 2 0 0 0 0 10 6 2 0 0 0 0 11 4 1 0 0 0 0 12 3 1 0 0 0 0 6 2 1 0 0 0 0 M CHG 3 7 -1 8 -1 13 2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16244021 > MFCD00150175 > F > 23370 > - > - > - > - $$$$