11 11 0 0 1 0 0 0 0 0 1 V2000 5.0183 -7.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0183 -7.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7316 -8.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4420 -7.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4420 -7.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7316 -6.6869 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7316 -5.8619 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4449 -5.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4449 -4.6242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1582 -5.8619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0501 -5.3400 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 7 11 1 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00009824 > A > 301140 > F > 52550 > - > - $$$$ 11 11 0 1 0 1 V2000 0.2621 -0.2724 0.0000 C 0 0 3 0 0 0 0 0 0 -1.1172 -0.6172 0.0000 C 0 0 1 0 0 0 0 0 0 1.2517 -1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0.6724 1.0862 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1034 0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5276 -1.9897 0.0000 O 0 0 0 0 0 0 0 0 0 2.6483 -0.9828 0.0000 C 0 0 0 0 0 0 0 0 0 2.0724 1.4207 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7034 1.7931 0.0000 O 0 0 0 0 0 0 0 0 0 -3.5103 0.0793 0.0000 O 0 0 0 0 0 0 0 0 0 3.0586 0.3793 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 6 0 0 3 7 1 0 0 0 4 8 1 0 0 0 5 9 1 0 0 0 5 10 2 0 0 0 7 11 1 0 0 0 8 11 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00057821 > A > 301159 > F > 52545 > - > - $$$$ 22 21 0 0 1 0 0 0 0 0 1 V2000 3.8166 -6.6354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5299 -6.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2432 -6.6354 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9568 -6.2258 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6701 -6.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3834 -6.2258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5299 -5.4006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6701 -7.4604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9568 -5.4006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2432 -7.4604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6743 -4.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3834 -5.4006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5299 -7.8731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8166 -7.4604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5299 -8.6981 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3521 -8.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5299 -9.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7077 -8.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6764 -4.1214 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5000 -4.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6708 -3.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 9 1 6 0 0 0 3 10 1 6 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 4 5 1 0 0 0 0 11 19 1 0 0 0 0 5 6 1 0 0 0 0 19 20 1 0 0 0 0 2 7 2 0 0 0 0 19 21 1 0 0 0 0 5 8 2 0 0 0 0 19 22 1 0 0 0 0 G 15 13 t-Bu M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 15 16 17 18 M SBL 1 1 7 M SDI 1 4 4.3200 -8.4200 4.7300 -8.4200 M SMT 1 t-Bu M SBV 1 7 0.0000 0.8200 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00015634 > A > 346950 > F > 43456 > - > - $$$$ 14 14 0 0 1 0 0 0 0 0 1 V2000 4.9500 -6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -6.9667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8125 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -5.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -7.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -7.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -6.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -6.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -8.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -8.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -9.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -9.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -9.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 2 1 0 0 0 0 5 1 2 0 0 0 0 2 6 1 6 0 0 0 7 3 2 0 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 6 2 0 0 0 0 11 6 1 0 0 0 0 12 11 2 0 0 0 0 13 10 1 0 0 0 0 14 12 1 0 0 0 0 14 13 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00065929 > F > 78173 > - > - > - > - $$$$ 14 14 0 0 1 0 0 0 0 0 1 V2000 7.0333 -5.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -5.8667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9125 -5.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -5.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0333 -4.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3083 -6.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 -6.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7375 -5.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2083 -5.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -7.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0250 -7.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -7.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3083 -8.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 2 1 0 0 0 0 5 1 2 0 0 0 0 2 6 1 1 0 0 0 7 3 2 0 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 6 1 0 0 0 0 11 6 2 0 0 0 0 12 10 2 0 0 0 0 13 11 1 0 0 0 0 14 13 2 0 0 0 0 14 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00065930 > F > 78172 > - > - > - > - $$$$ 6 5 0 0 1 0 0 0 0 0 1 V2000 6.3042 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -4.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -6.2125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0167 -6.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -7.0417 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 3 5 1 1 0 0 0 6 3 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00137325 > A > 385514 > F > 18167 > - > - $$$$ 7 6 0 0 1 0 0 0 0 0 1 V2000 6.7000 -6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9875 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -5.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -6.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2708 -6.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2375 -5.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5583 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 5 6 1 6 0 0 0 7 5 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00137685 > F > 54925 > - > - > - > - $$$$ 29 29 0 0 1 0 0 0 0 0 1 V2000 2.6333 -5.2333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3458 -4.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0583 -5.2292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 -5.6417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7208 -6.3083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0250 -5.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4417 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5083 -7.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 -4.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0958 -7.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4375 -7.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -7.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 -6.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2333 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 -4.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8417 -7.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0583 -7.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 -4.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6542 -7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6542 -5.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2958 -6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2708 -7.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4458 -7.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4708 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -6.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -7.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8667 -6.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -6.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 1 2 1 0 0 0 0 5 4 1 0 0 0 0 4 6 1 6 0 0 0 5 7 1 6 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 8 2 0 0 0 0 13 9 2 0 0 0 0 14 9 1 0 0 0 0 15 8 1 0 0 0 0 16 10 2 0 0 0 0 17 11 2 0 0 0 0 18 11 1 0 0 0 0 19 10 1 0 0 0 0 20 15 2 0 0 0 0 21 15 1 0 0 0 0 22 14 2 0 0 0 0 23 14 1 0 0 0 0 24 20 1 0 0 0 0 25 21 2 0 0 0 0 26 22 1 0 0 0 0 27 23 2 0 0 0 0 28 25 1 0 0 0 0 29 27 1 0 0 0 0 28 24 2 0 0 0 0 29 26 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00149119 > F > 33622 > - > - > - > - $$$$ 6 5 0 0 1 0 0 0 0 0 1 V2000 4.6125 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -4.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9083 -5.8458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4125 -5.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -6.6792 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 3 5 1 6 0 0 0 6 3 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00145205 > F > 18165 > - > - > - > - $$$$ 22 23 0 0 1 0 0 0 0 0 1 V2000 6.3167 -6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -6.6667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0292 -7.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -7.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7458 -6.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7458 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -7.0792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4625 -6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -5.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0333 -5.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -7.9000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4542 -5.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -5.4292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0292 -7.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4583 -7.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -8.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -8.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -4.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4583 -7.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7458 -8.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 6 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 1 2 0 0 0 0 10 2 1 0 0 0 0 11 6 2 0 0 0 0 7 12 1 1 0 0 0 13 6 1 0 0 0 0 14 15 1 0 0 0 0 15 10 1 0 0 0 0 16 3 2 0 0 0 0 17 5 2 0 0 0 0 18 12 1 0 0 0 0 19 12 1 0 0 0 0 15 20 1 6 0 0 0 21 17 1 0 0 0 0 22 16 1 0 0 0 0 21 22 2 0 0 0 0 8 14 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00045486 > A > 448451 > - > - > - > - $$$$ 16 16 0 0 1 0 0 0 0 0 1 V2000 -1.7800 0.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 0.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0655 1.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3510 0.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3510 0.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0655 -0.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -0.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.9649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1556 -0.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8676 -1.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7706 -0.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0586 -0.5624 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1817 -0.2615 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4826 -1.3846 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 5 7 1 0 7 8 1 0 8 9 1 0 8 10 2 0 7 11 1 1 11 12 1 0 7 13 1 6 13 14 1 0 13 15 1 0 13 16 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 11 12 M SBL 1 1 11 M SMT 1 ^OCH3 M SBV 1 11 0.2053 0.5027 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 13 14 15 16 M SBL 2 1 13 M SMT 2 CF3 M SBV 2 13 -0.4096 0.7095 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00004184 > A > 155268 > F > 65362 > - > - $$$$ 30 32 0 0 0 0 0 0 0 0 1 V2000 -2.1434 0.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.5649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 1.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4429 1.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2679 0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5674 1.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 1.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4429 1.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2679 0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5674 1.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5834 1.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.3871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.3871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.7996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.7996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.7996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.7996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 5 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 13 15 1 0 15 16 1 0 15 17 1 0 15 18 1 0 1 19 1 0 19 20 1 0 19 21 1 0 19 22 1 0 10 23 1 0 10 24 1 0 3 25 1 0 11 26 1 0 26 27 1 0 26 28 2 0 25 29 1 0 25 30 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00134495 > F > 34685 > - > - > - > - $$$$ 12 12 0 0 1 0 0 0 0 0 1 V2000 5.4667 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -5.6667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1833 -5.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -6.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -6.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -4.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -7.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -7.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -8.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -8.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -8.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 2 7 1 1 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 10 9 2 0 0 0 0 11 8 1 0 0 0 0 12 10 1 0 0 0 0 12 11 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00078062 > A > 376906 > F > 78841 > - > - $$$$ 13 13 0 0 1 0 0 0 0 0 1 V2000 7.7042 -5.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7042 -5.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -6.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3167 -6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3875 -6.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0167 -7.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 -6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 3 7 1 6 0 0 0 8 6 1 0 0 0 0 9 8 2 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 10 2 0 0 0 0 13 12 1 0 0 0 0 11 13 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00192219 > A > 420085 > F > 56112 > - > - $$$$ 11 11 0 0 1 0 0 0 0 0 1 V2000 6.3625 -5.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -5.8583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3625 -4.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -6.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -5.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -7.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3583 -7.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3583 -7.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -7.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -8.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 2 6 1 1 0 0 0 7 4 1 0 0 0 0 8 4 2 0 0 0 0 9 8 1 0 0 0 0 10 7 2 0 0 0 0 11 10 1 0 0 0 0 9 11 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00063140 > A > 279897 > - > - > - > - $$$$ 22 23 0 0 1 0 0 0 0 0 1 V2000 6.3167 -6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -6.6667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0292 -7.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -7.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7458 -6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7458 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -7.0792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4625 -6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -5.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0333 -5.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -7.9042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4583 -5.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -5.4292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0292 -7.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4583 -7.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -8.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -8.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7458 -8.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4583 -7.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 1 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 1 2 0 0 0 0 10 2 1 0 0 0 0 11 6 2 0 0 0 0 7 12 1 6 0 0 0 13 6 1 0 0 0 0 14 15 1 0 0 0 0 15 10 1 0 0 0 0 16 3 2 0 0 0 0 17 5 2 0 0 0 0 18 12 1 0 0 0 0 19 12 1 0 0 0 0 15 20 1 1 0 0 0 21 16 1 0 0 0 0 22 17 1 0 0 0 0 22 21 2 0 0 0 0 8 14 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00077849 > A > 448443 > F > 80157 > - > - $$$$ 8 7 0 0 1 0 0 0 0 0 1 V2000 1.0833 -3.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7958 -4.2000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5083 -3.7875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2208 -4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9333 -3.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7958 -5.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2208 -5.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -2.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 5 2 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 1 2 1 0 0 0 0 4 7 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00066442 > F > 55452 > - > - > - > - $$$$ 13 13 0 0 1 0 0 0 0 0 1 V2000 5.9765 -6.6915 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2663 -6.2752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6962 -6.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2663 -5.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6837 -5.4360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5464 -5.0396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2663 -7.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5464 -7.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4244 -6.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9765 -7.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5464 -6.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1432 -5.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1451 -4.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 6 0 0 0 2 4 1 6 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 7 10 1 0 0 0 0 7 8 2 0 0 0 0 3 9 1 0 0 0 0 1 10 1 0 0 0 0 2 11 1 0 0 0 0 8 11 1 0 0 0 0 4 12 1 0 0 0 0 1 2 1 0 0 0 0 12 13 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00075490 > A > 367281 > F > 87462 > - > - $$$$ 14 14 0 0 1 0 0 0 0 0 1 V2000 6.3059 -5.8360 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0479 -5.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6441 -5.4235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9021 -5.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0479 -4.6386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3059 -6.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2002 -5.4235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7498 -5.8763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9021 -6.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6040 -7.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0479 -7.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6040 -7.8987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0049 -7.8987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3059 -8.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 1 0 0 0 3 4 1 0 0 0 0 2 5 2 0 0 0 0 1 6 1 0 0 0 0 4 7 2 0 0 0 0 2 8 1 0 0 0 0 4 9 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 12 14 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00004249 > A > 253030 > - > - > - > - $$$$ 7 6 0 0 1 0 0 0 0 0 1 V2000 1.6750 -0.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1946 -1.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7124 -0.7106 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2284 -1.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2284 -1.6085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7480 -0.7085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7097 -0.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 3 7 1 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD01318570 > F > 54917 > - > - > - > - $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -0.0458 -0.3625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7500 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 1.0667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3917 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 0.3500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8417 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 -1.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4292 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0083 -1.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1667 -1.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7583 1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 2 2 0 0 0 0 9 6 1 0 0 0 0 10 4 2 0 0 0 0 11 4 1 0 0 0 0 12 3 1 0 0 0 0 13 3 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00168053 > A > 420964 > - > - > - > - $$$$ 12 12 0 0 1 0 0 0 0 0 1 V2000 6.3458 -5.8375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0458 -5.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -5.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -5.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0458 -4.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -6.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7458 -5.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -7.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0458 -7.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -7.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0042 -7.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -8.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 1 3 1 6 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 10 8 1 0 0 0 0 11 9 2 0 0 0 0 12 11 1 0 0 0 0 12 10 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00064216 > A > 248983 > F > 65211 > - > - $$$$ 7 6 0 0 1 0 0 0 0 0 1 V2000 1.5264 -1.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0478 -0.9963 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5674 -1.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0852 -0.9973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6012 -1.2952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0544 -0.3769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0852 -0.4015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 2 6 1 1 0 0 0 4 7 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00066257 > F > 54920 > - > - > - > - $$$$ 8 7 0 0 1 0 0 0 0 0 1 V2000 6.6542 -6.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9625 -6.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6542 -5.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -6.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -7.3667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -6.2208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5792 -6.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 2 5 1 1 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 6 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00067109 > F > 25113 > - > - > - > - $$$$ 8 7 0 0 1 0 0 0 0 0 1 V2000 6.6542 -6.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9625 -6.5875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6542 -5.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -6.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -7.3667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -6.2208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2667 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -6.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 2 5 1 6 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 6 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00044962 > F > 25112 > - > - > - > - $$$$ 41 40 0 0 1 0 0 0 0 0 1 V2000 -8.9309 -0.5621 0.0000 X 0 0 0 0 0 0 0 0 0 0 0 0 -8.2164 -0.9746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5019 -0.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7875 -0.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0730 -0.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3585 -0.9746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6441 -0.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 -0.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 -0.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.9746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.9746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -0.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -0.9746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 -0.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 -0.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3585 -0.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 -0.9746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7875 -0.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5019 -0.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2164 -0.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9309 -0.9746 0.0000 X 0 0 0 0 0 0 0 0 0 0 0 0 -7.5019 0.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0730 0.2601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6441 0.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2316 0.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 0.2601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 0.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.2601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3585 0.2601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 0.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7875 0.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 0.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2164 0.2601 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 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 10 9 1 0 0 0 11 10 1 0 0 0 12 11 1 0 0 0 13 12 1 0 0 0 14 13 1 0 0 0 15 14 1 0 0 0 16 15 1 0 0 0 17 16 1 0 0 0 18 17 1 0 0 0 19 18 1 0 0 0 20 19 1 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 3 27 1 6 0 0 5 28 2 0 0 0 7 29 1 6 0 0 29 30 1 0 0 0 9 31 2 0 0 0 11 32 1 6 0 0 13 33 2 0 0 0 15 34 1 6 0 0 34 35 1 0 0 0 17 36 2 0 0 0 21 37 2 0 0 0 19 38 1 6 0 0 23 39 1 6 0 0 39 40 1 0 0 0 25 41 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00221504 > F > 27826 > - > - > - > - $$$$ 12 12 0 0 1 0 0 0 0 0 1 V2000 6.6750 -6.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6750 -6.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9583 -5.7083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3917 -7.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -6.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9625 -7.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9583 -4.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -5.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -6.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8083 -6.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -7.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8083 -6.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 3 7 1 1 0 0 0 8 5 2 0 0 0 0 9 5 1 0 0 0 0 10 8 1 0 0 0 0 11 9 2 0 0 0 0 12 11 1 0 0 0 0 12 10 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00145262 > F > 56193 > - > - > - > - $$$$ 9 8 0 0 0 1 V2000 -1.2207 -0.4966 0.0000 C 0 0 3 0 0 0 0 0 0 -0.0517 0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3862 0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2207 -1.9276 0.0000 C 0 0 0 0 0 0 0 0 0 1.1207 -0.4966 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5586 -0.4966 0.0000 C 0 0 0 0 0 0 0 0 0 2.2862 0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 3.4552 -0.4966 0.0000 O 0 0 0 0 0 0 0 0 0 2.2862 1.7621 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 3 6 1 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 7 9 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00870848 > A > 559016 > - > - > - > - $$$$ 26 27 0 0 1 0 0 0 0 0 1 V2000 3.0000 -7.1667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7125 -6.7542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1250 -6.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 -7.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 -8.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -6.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -7.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8375 -4.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -9.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -9.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 -4.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -5.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -7.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1375 -6.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -7.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -9.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -8.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -10.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -9.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9833 -4.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9833 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -9.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 3 1 6 0 0 0 1 4 1 6 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 5 2 0 0 0 0 10 6 2 0 0 0 0 11 6 1 0 0 0 0 12 5 1 0 0 0 0 13 7 2 0 0 0 0 14 8 2 0 0 0 0 15 8 1 0 0 0 0 16 7 1 0 0 0 0 17 12 1 0 0 0 0 18 12 2 0 0 0 0 19 11 2 0 0 0 0 20 11 1 0 0 0 0 21 18 1 0 0 0 0 22 19 1 0 0 0 0 23 20 2 0 0 0 0 24 17 2 0 0 0 0 25 24 1 0 0 0 0 26 23 1 0 0 0 0 26 22 2 0 0 0 0 25 21 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00063222 > A > 163449 > F > 33610 > - > - $$$$ 19 20 0 0 1 0 0 0 0 0 1 V2000 4.8917 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -6.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 -6.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -6.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7417 -5.6750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8917 -4.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 -6.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -6.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1750 -5.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -6.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -6.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -7.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 -4.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -6.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -6.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -7.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -6.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 1 0 0 0 0 4 5 2 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 1 2 0 0 0 0 8 3 2 0 0 0 0 9 1 1 0 0 0 0 10 3 1 0 0 0 0 11 2 2 0 0 0 0 12 13 2 0 0 0 0 13 11 1 0 0 0 0 6 14 1 6 0 0 0 15 9 1 0 0 0 0 16 9 2 0 0 0 0 17 16 1 0 0 0 0 18 15 2 0 0 0 0 19 17 2 0 0 0 0 18 19 1 0 0 0 0 12 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00673316 > A > 471909 > - > - > - > - $$$$ 10 9 0 0 1 0 0 0 0 0 1 V2000 5.6625 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -6.9917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6583 -7.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2458 -6.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2875 -7.5750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8708 -8.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8625 -5.9750 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 4.8583 -5.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 -6.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 -5.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 1 0 0 0 6 3 1 0 0 0 0 1 7 1 0 0 0 0 2 1 1 0 0 0 0 7 8 2 0 0 0 0 2 3 1 0 0 0 0 7 9 1 0 0 0 0 4 3 2 0 0 0 0 7 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00083169 > S > A154 > - > - > - > - $$$$ 15 15 0 0 1 0 0 0 0 0 1 V2000 8.0458 -6.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3458 -6.0458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6417 -6.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0458 -7.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9458 -6.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 -7.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7458 -6.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2750 -7.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9458 -7.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2750 -6.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -7.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3458 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -7.2583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8750 -6.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -7.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 3 1 0 0 0 0 6 3 2 0 0 0 0 7 1 1 0 0 0 0 8 9 2 0 0 0 0 9 6 1 0 0 0 0 10 5 2 0 0 0 0 11 8 1 0 0 0 0 2 12 1 6 0 0 0 13 11 1 0 0 0 0 14 13 1 0 0 0 0 15 13 1 0 0 0 0 10 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00069289 > A > 375160 > F > 58635 > - > - $$$$ 6 5 0 0 1 0 0 0 0 0 1 V2000 -1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.0285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.0285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 2 5 1 1 0 0 3 6 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00064266 > F > 69771 > S > L1750 > R > 27715 $$$$ 6 5 0 0 1 0 0 0 0 0 1 V2000 -0.3560 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3584 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.2034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3584 1.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 6 2 6 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00068311 > F > 69776 > - > - > - > - $$$$ 12 12 0 0 1 0 0 0 0 0 1 V2000 -1.4289 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.8534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.8534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 4 6 2 0 0 0 3 7 1 6 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 7 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00063164 > A > 279889 > - > - > - > - $$$$ 7 6 0 0 1 0 0 0 0 0 1 V2000 5.9542 -7.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -6.9542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9542 -8.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2333 -6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6708 -6.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -7.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 -6.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 2 4 1 6 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00063166 > A > 245526 > F > 66127 > - > - $$$$ 11 11 0 0 1 0 0 0 0 0 1 V2000 6.3625 -5.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -5.8583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3625 -4.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -6.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -5.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -7.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3583 -7.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3583 -7.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -7.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -8.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 2 6 1 6 0 0 0 7 4 1 0 0 0 0 8 4 2 0 0 0 0 9 8 1 0 0 0 0 10 7 2 0 0 0 0 11 10 1 0 0 0 0 9 11 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00063139 > A > 279900 > - > - > - > - $$$$ 17 18 0 0 1 0 0 0 0 0 1 V2000 7.1877 -6.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6223 -6.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4731 -6.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9092 -6.0379 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7600 -6.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7600 -7.2770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1877 -7.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3340 -6.0426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0481 -7.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4738 -7.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0496 -6.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3323 -7.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6181 -7.2802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3323 -6.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9133 -5.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6119 -7.6972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8906 -7.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 3 5 2 0 0 0 0 6 10 2 0 0 0 0 1 7 2 0 0 0 0 2 8 2 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 5 11 1 0 0 0 0 9 12 2 0 0 0 0 2 13 1 0 0 0 0 11 14 2 0 0 0 0 4 15 1 6 0 0 0 5 6 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 2 4 1 0 0 0 0 16 17 1 0 0 0 0 G 16 12 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 16 17 M SBL 1 1 16 M SDI 1 4 3.7400 -7.3700 3.9500 -7.7200 M SMT 1 OCH3 M SBV 1 16 0.7200 0.4200 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00010500 > A > 284785 > - > - > - > - $$$$ 6 5 0 0 1 0 0 0 0 0 1 V2000 5.4542 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8708 -5.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -5.8042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8708 -6.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -4.9125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -6.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 3 5 1 1 0 0 0 6 3 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00064204 > A > 306800 > F > 26152 > - > - $$$$ 8 7 0 0 1 0 0 0 0 0 1 V2000 10.8003 -5.9655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3199 -5.6655 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8396 -5.9655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3592 -5.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8788 -5.9655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3592 -5.0676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3199 -5.0676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2807 -5.6655 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 2 7 1 1 0 0 0 1 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00672884 > A > 542946 > - > - > - > - $$$$ 15 15 0 0 1 0 0 0 0 0 1 V2000 5.3357 -5.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3357 -6.5329 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6683 -7.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9315 -7.8066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7440 -7.8024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0031 -7.0137 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6227 -5.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6222 -4.4663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9102 -5.7081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7916 -6.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2273 -8.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8714 -6.7627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3995 -7.3139 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.1870 -7.0585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2250 -8.1125 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 6 10 1 6 0 0 0 5 11 1 1 0 0 0 3 12 2 0 0 0 0 10 13 1 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 G 13 10 NO2 M CHG 2 13 1 15 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 13 14 15 M SBL 1 1 11 M SDI 1 4 7.0500 -7.2700 7.3200 -6.9700 M SMT 1 NO2 M SBV 1 11 -0.6100 0.5600 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD06798122 > A > 647497 > - > - > - > - $$$$ 12 12 0 0 1 0 0 0 0 0 1 V2000 -2.1436 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1436 -0.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4296 -1.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7185 -0.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7185 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4296 0.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0045 0.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7124 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4267 0.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1436 -0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4267 1.2388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7321 -0.9748 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 1 6 1 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 9 11 2 0 0 0 8 12 1 1 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > F______00031 > F > 00031 > - > - > - > - $$$$ 13 13 0 0 1 0 0 0 0 0 1 V2000 5.1253 -4.7543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8386 -4.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5548 -4.7543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8386 -3.5166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4091 -4.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5159 -5.2887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5159 -6.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8026 -6.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0864 -6.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3702 -6.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3702 -7.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0864 -7.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8026 -7.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 6 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 8 13 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD02093932 > F > 00696 > - > - > - > - $$$$ 10 8 0 0 1 0 0 0 0 0 1 V2000 6.3667 -6.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -5.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -5.8333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3667 -7.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -4.9333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -6.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -4.9292 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.5083 -6.2458 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -4.9292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 3 5 1 6 0 0 0 6 3 1 0 0 0 0 8 9 1 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD01631290 > A > 476986 > - > - > - > - $$$$ 12 12 0 0 1 0 0 0 0 0 1 V2000 5.9542 -7.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -6.9542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9542 -8.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2333 -6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6708 -6.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -7.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 -6.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0111 -5.5990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0032 -4.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2190 -4.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4412 -4.7182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4530 -5.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 4 8 2 0 0 0 0 2 1 1 0 0 0 0 8 9 1 0 0 0 0 3 1 2 0 0 0 0 9 10 2 0 0 0 0 2 4 1 6 0 0 0 10 11 1 0 0 0 0 5 1 1 0 0 0 0 11 12 2 0 0 0 0 12 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00063165 > A > 279870 > - > - > - > - $$$$ 12 12 0 0 1 0 0 0 0 0 1 V2000 5.6042 -6.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -5.6625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0500 -6.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0625 -6.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -5.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -4.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -4.8500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -6.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -6.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -7.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -6.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 2 0 0 0 0 6 3 1 0 0 0 0 2 7 1 6 0 0 0 8 4 1 0 0 0 0 9 1 2 0 0 0 0 10 4 2 0 0 0 0 11 9 1 0 0 0 0 12 11 2 0 0 0 0 10 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00798437 > A > 562823 > - > - > - > - $$$$ 18 19 0 0 1 0 0 0 0 0 1 V2000 4.1208 -6.3542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4333 -6.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7208 -6.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8375 -6.7667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1208 -5.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4333 -7.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -5.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4083 -5.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4083 -6.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8375 -7.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4083 -7.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1208 -8.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5708 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5708 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 4 3 1 1 0 0 0 4 1 1 0 0 0 0 1 5 1 1 0 0 0 6 2 2 0 0 0 0 7 2 1 0 0 0 0 8 5 2 0 0 0 0 9 5 1 0 0 0 0 10 1 1 0 0 0 0 11 4 1 0 0 0 0 12 7 1 0 0 0 0 13 7 2 0 0 0 0 14 10 1 0 0 0 0 15 14 1 0 0 0 0 16 13 1 0 0 0 0 17 12 2 0 0 0 0 18 17 1 0 0 0 0 11 15 1 0 0 0 0 18 16 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00078309 > A > 568090 > - > - > - > - $$$$ 18 19 0 0 1 0 0 0 0 0 1 V2000 4.1208 -6.3542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4333 -6.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7208 -6.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8375 -6.7667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1208 -5.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4333 -7.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -5.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4083 -5.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4083 -6.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8375 -7.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4083 -7.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1208 -8.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5708 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5708 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 4 3 1 6 0 0 0 4 1 1 0 0 0 0 1 5 1 6 0 0 0 6 2 2 0 0 0 0 7 2 1 0 0 0 0 8 5 2 0 0 0 0 9 5 1 0 0 0 0 10 1 1 0 0 0 0 11 4 1 0 0 0 0 12 7 1 0 0 0 0 13 7 2 0 0 0 0 14 10 1 0 0 0 0 15 14 1 0 0 0 0 16 13 1 0 0 0 0 17 12 2 0 0 0 0 18 17 1 0 0 0 0 11 15 1 0 0 0 0 18 16 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00078300 > A > 568104 > - > - > - > - $$$$ 24 26 0 0 1 0 0 0 0 0 1 V2000 5.2167 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 -5.6750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -5.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -5.1750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6042 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -4.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -4.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4375 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -4.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3833 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7958 -7.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2208 -5.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7125 -4.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2542 -6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 -7.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -6.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8208 -8.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6625 -8.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 7 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 1 0 0 0 8 5 2 0 0 0 0 9 1 2 0 0 0 0 10 6 2 0 0 0 0 11 8 1 0 0 0 0 12 6 1 0 0 0 0 13 5 1 0 0 0 0 14 3 1 0 0 0 0 15 4 1 0 0 0 0 16 8 1 0 0 0 0 17 13 2 0 0 0 0 18 7 1 0 0 0 0 19 17 1 0 0 0 0 20 11 1 0 0 0 0 21 22 1 0 0 0 0 22 14 2 0 0 0 0 23 16 2 0 0 0 0 24 23 1 0 0 0 0 15 21 2 0 0 0 0 19 11 2 0 0 0 0 20 24 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00192339 > A > 399736 > - > - > - > - $$$$ 24 26 0 0 1 0 0 0 0 0 1 V2000 5.2167 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 -5.6750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -5.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -5.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6042 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -4.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -4.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4375 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -4.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3833 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7958 -7.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2208 -5.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7125 -4.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2542 -6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 -7.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -6.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8208 -8.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6625 -8.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 7 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 6 0 0 0 8 5 2 0 0 0 0 9 1 2 0 0 0 0 10 6 2 0 0 0 0 11 8 1 0 0 0 0 12 6 1 0 0 0 0 13 5 1 0 0 0 0 14 3 1 0 0 0 0 15 4 1 0 0 0 0 16 8 1 0 0 0 0 17 13 2 0 0 0 0 18 7 1 0 0 0 0 19 17 1 0 0 0 0 20 11 1 0 0 0 0 21 22 1 0 0 0 0 22 14 2 0 0 0 0 23 16 2 0 0 0 0 24 23 1 0 0 0 0 15 21 2 0 0 0 0 19 11 2 0 0 0 0 20 24 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00192338 > A > 399728 > - > - > - > - $$$$ 14 14 0 0 1 0 0 0 0 0 1 V2000 6.3458 -5.8375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0458 -5.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -5.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -5.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0458 -4.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -6.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -5.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7458 -5.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -6.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -7.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0458 -7.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -7.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0042 -7.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -8.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 1 3 1 6 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 4 2 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 6 2 0 0 0 0 11 6 1 0 0 0 0 12 10 1 0 0 0 0 13 11 2 0 0 0 0 14 13 1 0 0 0 0 14 12 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00064215 > A > 253022 > - > - > - > - $$$$ 28 30 0 0 1 0 0 0 0 0 1 V2000 6.8417 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1292 -5.8667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.8417 -7.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5542 -7.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1292 -5.0417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4167 -6.2792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2667 -7.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5542 -5.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2667 -6.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4167 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9792 -7.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 -7.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5542 -8.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -6.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -5.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -6.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4167 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 -8.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8417 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -6.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -5.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 1 2 0 0 0 0 9 7 2 0 0 0 0 10 6 1 0 0 0 0 11 5 1 0 0 0 0 12 7 1 0 0 0 0 13 3 1 0 0 0 0 14 4 1 0 0 0 0 6 15 1 1 0 0 0 5 16 1 6 0 0 0 17 10 2 0 0 0 0 18 10 1 0 0 0 0 19 11 2 0 0 0 0 20 11 1 0 0 0 0 21 13 2 0 0 0 0 22 21 1 0 0 0 0 23 18 2 0 0 0 0 24 19 1 0 0 0 0 25 20 2 0 0 0 0 26 17 1 0 0 0 0 27 25 1 0 0 0 0 28 23 1 0 0 0 0 22 14 2 0 0 0 0 26 28 2 0 0 0 0 24 27 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00792502 > A > 461687 > - > - > - > - $$$$ 20 21 0 0 1 0 0 0 0 0 1 V2000 6.6750 -6.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3875 -6.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9625 -6.6958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1042 -6.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1042 -5.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2458 -6.2833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6750 -5.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3917 -5.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -6.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8167 -5.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3875 -7.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8167 -6.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -7.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -6.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8167 -7.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1042 -7.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -7.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -6.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -7.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 3 1 0 0 0 0 7 1 2 0 0 0 0 8 5 2 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 11 2 2 0 0 0 0 12 4 2 0 0 0 0 6 13 1 1 0 0 0 14 9 1 0 0 0 0 15 9 2 0 0 0 0 16 12 1 0 0 0 0 17 11 1 0 0 0 0 18 14 2 0 0 0 0 19 15 1 0 0 0 0 20 19 2 0 0 0 0 16 17 2 0 0 0 0 18 20 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00063050 > A > 461458 > - > - > - > - $$$$ 12 12 0 0 1 0 0 0 0 0 1 V2000 3.5875 -5.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -5.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 -6.5625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5417 -6.7542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8125 -7.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -6.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -5.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -5.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -7.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -7.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 4 6 1 6 0 0 0 7 6 1 0 0 0 0 8 2 2 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 3 1 0 0 0 0 12 3 1 0 0 0 0 4 5 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00211273 > A > 445584 > F > 41037 > - > - $$$$ 16 16 0 0 1 0 0 0 0 0 1 V2000 3.8917 -5.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -5.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 -6.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 -5.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -6.7417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9000 -5.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -4.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9000 -4.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6125 -5.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -7.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -5.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 -5.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -5.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 -5.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -5.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 -5.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 12 1 0 0 0 0 7 2 2 0 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 5 10 1 6 0 0 0 11 1 1 0 0 0 0 12 14 1 0 0 0 0 13 11 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 13 1 0 0 0 0 4 5 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00799552 > A > 473057 > - > - > - > - $$$$ 8 7 0 0 1 0 0 0 0 0 1 V2000 -0.3572 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.2063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 3 7 2 0 0 0 2 8 1 1 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00674110 > A > 467359 > - > - > - > - $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 6.5102 -6.2795 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9805 -5.7663 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3047 -6.2395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5459 -7.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3708 -7.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4726 -5.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6306 -5.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6458 -5.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8082 -6.8984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0181 -6.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0433 -6.5893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7775 -6.6072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8123 -7.7255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0279 -7.6906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 1 0 0 0 1 10 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 9 14 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00001375 > A > C409 > F > 21340 > - > - $$$$ 18 18 0 0 1 0 0 0 0 0 1 V2000 5.6042 -5.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1750 -6.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -4.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1750 -6.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -6.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -6.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 -5.6875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8917 -5.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7417 -6.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -5.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -5.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4167 -4.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -6.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -5.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -7.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -6.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 9 1 0 0 0 0 8 2 1 0 0 0 0 9 11 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 7 12 1 6 0 0 0 13 10 1 0 0 0 0 14 13 2 0 0 0 0 15 13 1 0 0 0 0 16 15 2 0 0 0 0 17 14 1 0 0 0 0 18 16 1 0 0 0 0 17 18 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00209957 > A > 533106 > - > - > - > - $$$$ 22 21 0 0 1 0 0 0 0 0 1 V2000 4.9007 -5.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6182 -6.2020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3318 -5.7883 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0493 -6.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7584 -5.7883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9007 -4.9589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0493 -7.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3318 -4.9589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6182 -7.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0451 -4.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7584 -4.9589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0451 -3.7172 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0423 -2.8922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8701 -3.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2187 -3.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9033 -7.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1893 -7.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9026 -8.2680 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1900 -6.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8958 -9.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6958 -8.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 -8.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 19 1 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 3 4 1 0 0 0 0 9 16 1 0 0 0 0 4 5 1 0 0 0 0 16 17 2 0 0 0 0 1 6 2 0 0 0 0 16 18 1 0 0 0 0 4 7 2 0 0 0 0 3 8 1 1 0 0 0 18 20 1 0 0 0 0 2 9 1 1 0 0 0 18 21 1 0 0 0 0 8 10 1 0 0 0 0 18 22 1 0 0 0 0 G 12 10 t-Bu M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 12 13 14 15 M SBL 1 1 2 M SDI 1 4 7.2400 -3.9900 6.8300 -3.9900 M SMT 1 t-Bu M SBV 1 2 0.0000 -0.8300 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00066535 > A > 337889 > F > 43457 > - > - $$$$ 12 12 0 0 1 0 0 0 0 0 1 V2000 3.5875 -5.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -5.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 -6.5625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5417 -6.7542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8125 -7.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -6.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -5.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -5.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -7.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -7.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 4 6 1 1 0 0 0 7 6 1 0 0 0 0 8 2 2 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 3 1 0 0 0 0 12 3 1 0 0 0 0 4 5 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00211272 > A > 460028 > - > - > - > - $$$$ 14 14 0 0 1 0 0 0 0 0 1 V2000 5.2750 -6.3375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9417 -5.8500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6083 -6.3375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6375 -6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -7.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 -7.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -7.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 -6.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5583 -5.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3933 -6.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0057 -6.6365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5659 -5.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 6 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 4 2 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 2 1 0 0 0 0 1 11 1 1 0 0 0 3 6 1 0 0 0 0 3 12 1 6 0 0 0 2 1 1 0 0 0 0 12 13 1 0 0 0 0 3 2 1 0 0 0 0 12 14 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00064937 > A > 376345 > F > 21345 > - > - $$$$ 20 21 0 0 0 0 0 0 0 0 1 V2000 2.4921 -4.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4921 -5.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2066 -5.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9211 -5.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9211 -4.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2066 -4.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6355 -4.2999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3500 -4.7124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6438 -3.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0645 -4.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7789 -4.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0645 -3.4778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7789 -5.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4934 -5.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2079 -5.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2079 -4.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4934 -4.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4934 -3.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7814 -3.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2054 -3.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 7 1 0 0 0 0 7 9 1 6 0 0 0 10 8 1 0 0 0 0 11 10 1 0 0 0 0 10 12 2 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 11 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00013979 > A > 461466 > - > - > - > - $$$$ 14 15 0 0 1 0 0 0 0 0 1 V2000 5.9750 -6.7792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5625 -6.0667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7708 -6.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -5.3542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3583 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -7.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -6.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9208 -5.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -8.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -8.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5583 -4.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -4.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8458 -5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 1 6 1 6 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 9 5 2 0 0 0 0 10 6 2 0 0 0 0 11 6 1 0 0 0 0 12 4 1 0 0 0 0 13 4 1 0 0 0 0 2 14 1 1 0 0 0 2 8 1 0 0 0 0 2 5 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00044948 > A > 328227 > - > - > - > - $$$$ 26 27 0 0 1 0 0 0 0 0 1 V2000 6.1255 -6.0298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7215 -6.6972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0280 -6.0211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9050 -6.6887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4434 -6.7203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5095 -7.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7072 -5.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0996 -7.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4376 -7.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9021 -8.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6930 -7.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2368 -6.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1282 -4.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0624 -8.2214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8417 -7.4193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9135 -5.3192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6551 -7.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6580 -6.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2978 -6.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2720 -8.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4488 -7.4421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4745 -6.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5041 -6.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5014 -8.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8669 -6.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0831 -7.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 6 0 0 0 2 4 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 5 12 1 0 0 0 0 7 13 2 0 0 0 0 8 14 1 0 0 0 0 8 15 2 0 0 0 0 7 16 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 11 19 2 0 0 0 0 11 20 1 0 0 0 0 17 21 1 0 0 0 0 18 22 2 0 0 0 0 19 23 1 0 0 0 0 20 24 2 0 0 0 0 22 25 1 0 0 0 0 24 26 1 0 0 0 0 21 25 2 0 0 0 0 23 26 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00003074 > A > 345849 > F > 33620 > - > - $$$$ 15 16 0 0 1 0 0 0 0 0 1 V2000 4.6792 -6.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8000 -5.1042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9250 -6.0750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1250 -5.8625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4792 -6.7667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8875 -6.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -6.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -4.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 -7.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -7.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5917 -4.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 3 8 1 6 0 0 0 9 8 1 0 0 0 0 10 9 2 0 0 0 0 5 11 1 1 0 0 0 12 1 1 0 0 0 0 13 2 1 0 0 0 0 14 2 1 0 0 0 0 15 9 1 0 0 0 0 7 4 1 0 0 0 0 3 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00238759 > A > 309664 > - > - > - > - $$$$ 9 8 0 0 1 0 0 0 0 0 1 V2000 7.0417 -6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -5.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -5.8125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6167 -6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -7.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -4.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -5.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -6.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 2 2 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 3 9 1 6 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00192321 > A > 415618 > - > - > - > - $$$$ 16 16 0 0 1 0 0 0 0 0 1 V2000 5.2429 -7.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2429 -7.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9562 -8.3383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6750 -7.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6750 -7.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9562 -6.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9562 -5.8619 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7833 -5.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1958 -5.1450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1953 -6.5744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1310 -5.8619 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6769 -6.5549 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3088 -5.8619 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7394 -4.9647 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9580 -5.0345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3766 -4.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 7 11 1 1 0 0 0 7 15 1 6 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 15 16 1 0 0 0 0 G 11 7 CF3 G 15 7 OCH3 M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 4 11 12 13 14 M SBL 1 1 6 M SDI 1 4 5.4000 -5.6500 5.4000 -6.0600 M SMT 1 CF3 M SBV 1 6 0.8300 0.0000 M SAL 2 2 15 16 M SBL 2 1 7 M SDI 2 4 6.1500 -5.3000 5.7500 -5.3000 M SMT 2 OCH3 M SBV 2 7 0.0000 -0.8200 M SDS EXP 2 1 2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00064200 > A > 155616 > F > 65364 > - > - $$$$ 20 21 0 0 1 0 0 0 0 0 1 V2000 8.0000 -5.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6125 -5.4708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7083 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2833 -5.0583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9000 -5.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -5.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -4.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -6.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4292 -5.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1833 -5.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4708 -5.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -5.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -6.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6958 -4.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7333 -6.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2708 -4.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -6.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1375 -5.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4042 -3.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1250 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 2 1 6 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 11 1 0 0 0 0 7 5 2 0 0 0 0 8 6 2 0 0 0 0 9 3 1 0 0 0 0 10 5 1 0 0 0 0 11 10 1 0 0 0 0 12 6 1 0 0 0 0 13 1 1 0 0 0 0 14 3 1 0 0 0 0 15 13 2 0 0 0 0 16 4 1 0 0 0 0 17 15 1 0 0 0 0 18 9 1 0 0 0 0 19 14 2 0 0 0 0 20 18 2 0 0 0 0 9 17 2 0 0 0 0 19 20 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00674060 > A > 461636 > - > - > - > - $$$$ 9 8 0 0 1 0 0 0 0 0 1 V2000 5.6025 -6.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0465 -6.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9435 -6.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3473 -6.3359 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2016 -6.6654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7484 -6.3359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9435 -5.4680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3473 -5.5109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0465 -7.5736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 3 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 1 0 0 0 2 9 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00004245 > F > 02300 > S > M0750 > - > - $$$$ 8 7 0 0 1 0 0 0 0 0 1 V2000 6.6750 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -5.7542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6750 -7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3875 -5.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -4.9292 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -6.1667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5292 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 2 5 1 6 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 6 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00210114 > A > 462101 > - > - > - > - $$$$ 8 7 0 0 1 0 0 0 0 0 1 V2000 1.0833 -3.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7958 -4.2000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5083 -3.7875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2208 -4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9333 -3.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7958 -5.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2208 -5.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -2.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 5 2 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 1 2 1 0 0 0 0 4 7 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 6 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00066443 > A > 379093 > F > 55454 > - > - $$$$ 9 8 0 0 1 0 0 0 0 0 1 V2000 5.6375 -6.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0625 -6.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8833 -6.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 -6.6375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0625 -5.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8833 -7.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7750 -6.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1708 -6.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 -7.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 4 9 1 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00064213 > A > 112577 > F > 02288 > S > M1000 $$$$ 9 8 0 0 1 0 0 0 0 0 1 V2000 5.6375 -6.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0625 -6.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8833 -6.5958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3500 -6.6375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0625 -5.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8833 -7.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7750 -6.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1708 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 -7.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 4 9 1 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00064214 > A > 219827 > - > - > - > - $$$$ 15 15 0 0 1 0 0 0 0 0 1 V2000 5.9625 -6.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1042 -6.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6750 -6.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2458 -6.8083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3875 -6.3958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9625 -5.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1042 -7.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8167 -6.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -6.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 -5.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -5.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -6.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -6.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -5.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -5.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 2 2 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 5 10 1 1 0 0 0 11 9 2 0 0 0 0 12 9 1 0 0 0 0 13 12 2 0 0 0 0 14 11 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00063138 > A > 328243 > - > - > - > - $$$$ 9 8 0 0 1 0 0 0 0 0 1 V2000 5.8988 -5.7593 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6133 -6.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8946 -4.9990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3277 -5.7593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6133 -6.9968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1843 -6.1718 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5954 -6.8839 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4723 -6.5829 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7732 -5.4597 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 1 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 1 6 1 0 0 0 0 2 1 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 G 6 1 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 6 7 8 9 M SBL 1 1 4 M SMT 1 CF3 M SBV 1 4 0.7100 0.4200 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD04037238 > A > 532509 > - > - > - > - $$$$ 12 12 0 0 1 0 0 0 0 0 1 V2000 7.5167 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8000 -5.6167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3667 -5.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5167 -6.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2292 -5.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8000 -4.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -5.6167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -7.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 2 0 0 0 0 6 4 2 0 0 0 0 7 1 1 0 0 0 0 3 8 1 1 0 0 0 9 6 1 0 0 0 0 10 2 2 0 0 0 0 11 10 1 0 0 0 0 12 11 2 0 0 0 0 6 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD04038807 > A > 445444 > - > - > - > - $$$$ 12 12 0 0 1 0 0 0 0 0 1 V2000 5.6042 -6.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -5.6625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0500 -6.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0625 -6.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -5.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -4.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -4.8500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -6.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -6.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -7.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -6.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 2 0 0 0 0 6 3 1 0 0 0 0 2 7 1 1 0 0 0 8 4 1 0 0 0 0 9 1 2 0 0 0 0 10 4 2 0 0 0 0 11 9 1 0 0 0 0 12 11 2 0 0 0 0 10 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00798429 > A > 478873 > - > - > - > - $$$$ 10 9 0 0 1 0 0 0 0 0 1 V2000 5.6333 -6.7167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3125 -6.3208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9083 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -6.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9083 -5.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -7.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -7.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -5.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7375 -6.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2083 -6.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 4 1 0 0 0 0 1 7 1 1 0 0 0 2 8 1 1 0 0 0 9 4 2 0 0 0 0 10 3 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00064207 > 1 > 251380 > A > T109 > F > 95309 $$$$ 10 9 0 0 1 0 0 0 0 0 1 V2000 4.1888 -6.6146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9033 -6.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6178 -6.6146 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3322 -6.2021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0467 -6.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7612 -6.2021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3322 -5.3085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6136 -7.3082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0467 -7.4367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9033 -5.3799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 5 9 2 0 0 0 0 2 10 2 0 0 0 0 4 7 1 6 0 0 0 3 8 1 6 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00004238 > A > 483796 > F > 95320 > - > - $$$$ 9 8 0 0 1 0 0 0 0 0 1 V2000 7.2792 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -5.3625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0375 -5.3625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8667 -6.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1125 -6.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 -4.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -4.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -5.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 2 6 1 6 0 0 0 7 3 1 0 0 0 0 8 3 1 0 0 0 0 9 3 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00192212 > A > 410918 > - > - > - > - $$$$ 20 21 0 0 1 0 0 0 0 0 1 V2000 8.0000 -5.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6125 -5.4708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7083 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2833 -5.0583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9000 -5.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -5.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -4.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -6.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4292 -5.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1833 -5.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4708 -5.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -5.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -6.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6958 -4.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7333 -6.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2708 -4.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -6.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1375 -5.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4042 -3.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1250 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 2 1 1 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 11 1 0 0 0 0 7 5 2 0 0 0 0 8 6 2 0 0 0 0 9 3 1 0 0 0 0 10 5 1 0 0 0 0 11 10 1 0 0 0 0 12 6 1 0 0 0 0 13 1 1 0 0 0 0 14 3 1 0 0 0 0 15 13 2 0 0 0 0 16 4 1 0 0 0 0 17 15 1 0 0 0 0 18 9 1 0 0 0 0 19 14 2 0 0 0 0 20 18 2 0 0 0 0 9 17 2 0 0 0 0 19 20 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16259894 > MFCD00674061 > A > 461644 > - > - > - > - $$$$ 28 29 0 0 1 0 0 0 0 0 1 V2000 -1.8229 -2.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3033 -2.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7837 -2.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2641 -2.3104 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2555 -2.0104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7752 -2.3104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2948 -2.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8144 -2.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8229 -1.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3425 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0