24 25 0 0 1 0 0 0 0 0 1 V2000 2.0167 -4.5542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7042 -4.1542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2667 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 -4.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -4.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -3.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -5.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0208 -5.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7458 -3.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 -4.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -4.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5917 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -5.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -4.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5375 -3.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3042 -4.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -2.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5917 -5.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9708 -3.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3083 -5.3833 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 6 4 1 0 0 0 0 7 3 2 0 0 0 0 8 4 2 0 0 0 0 1 9 1 6 0 0 0 2 10 1 6 0 0 0 11 6 1 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 14 2 0 0 0 0 16 14 1 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 15 1 0 0 0 0 20 18 2 0 0 0 0 21 17 1 0 0 0 0 22 16 2 0 0 0 0 23 20 1 0 0 0 0 24 22 1 0 0 0 0 24 19 2 0 0 0 0 23 21 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01863133 > ALDRICH > 95352 > - > - > - > - > 16263043 $$$$ 12 11 0 0 1 0 0 0 0 0 1 V2000 -1.4178 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4178 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7058 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0037 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7108 -0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7108 -1.0198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0037 1.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7058 -1.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4178 0.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1298 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1298 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4178 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 3 8 1 1 4 7 1 1 5 9 1 0 9 10 1 0 1 11 1 0 11 12 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 9 10 M SBL 1 1 8 M SMT 1 OCH3 M SBV 1 8 -0.7070 -0.4082 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 11 12 M SBL 2 1 10 M SMT 2 ^OCH3 M SBV 2 10 0.7120 -0.0000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00064437 > ALDRICH > 163457 > FLUKA > 95365 > - > - > 16263043 $$$$ 16 15 0 0 1 0 0 0 0 0 1 V2000 -3.2151 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 10 9 1 0 0 0 9 11 1 0 0 0 7 12 2 0 0 0 6 13 1 1 0 0 5 14 1 1 0 0 4 15 2 0 0 0 2 16 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008876 > ALDRICH > 227803 > FLUKA > 95367 > - > - > 16263043 $$$$ 16 15 0 0 1 0 0 0 0 0 1 V2000 -1.7862 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 5 9 2 0 0 0 2 10 2 0 0 0 11 6 1 0 0 0 12 11 1 0 0 0 11 13 1 0 0 0 14 1 1 0 0 0 15 14 1 0 0 0 14 16 1 0 0 0 4 7 1 1 0 0 3 8 1 1 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00064450 > ALDRICH > 229180 > FLUKA > 95364 > - > - > 16263043 $$$$ 24 25 0 0 1 0 0 0 0 0 1 V2000 0.1542 -1.4333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8667 -1.0208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5625 -1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 -1.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2958 -1.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 -0.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -2.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 -2.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -0.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9917 -1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0083 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7042 -1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4208 -1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7042 -2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4375 -1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 -0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1333 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4250 -2.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1375 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 3 2 0 0 0 0 8 4 2 0 0 0 0 1 9 1 1 0 0 0 2 10 1 1 0 0 0 11 5 1 0 0 0 0 12 6 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 13 2 0 0 0 0 16 13 1 0 0 0 0 17 14 2 0 0 0 0 18 14 1 0 0 0 0 19 15 1 0 0 0 0 20 18 2 0 0 0 0 21 17 1 0 0 0 0 22 16 2 0 0 0 0 23 22 1 0 0 0 0 24 20 1 0 0 0 0 23 19 2 0 0 0 0 24 21 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00674554 > FLUKA > 95353 > - > - > - > - > 16263043 $$$$ 14 13 0 0 1 0 0 0 0 0 1 V2000 -3.2151 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 10 9 1 0 0 0 4 11 2 0 0 0 7 12 2 0 0 0 5 13 1 6 0 0 6 14 1 6 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009143 > ALDRICH > 156841 > FLUKA > 95355 > - > - > 16263043 $$$$ 18 20 0 0 1 0 0 0 0 0 1 V2000 4.0625 -4.8167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5500 -5.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7333 -5.3333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7000 -4.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -4.5667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0958 -5.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -5.4125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6083 -4.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -4.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -4.7458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1833 -5.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -5.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9458 -3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -6.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 -4.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9708 -4.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 1 4 1 1 0 0 0 5 13 1 0 0 0 0 3 6 1 6 0 0 0 7 6 1 0 0 0 0 5 8 1 6 0 0 0 9 1 1 0 0 0 0 10 4 1 0 0 0 0 11 12 1 0 0 0 0 1 12 1 6 0 0 0 13 9 1 0 0 0 0 14 2 2 0 0 0 0 15 7 1 0 0 0 0 16 7 1 0 0 0 0 17 10 1 0 0 0 0 18 10 1 0 0 0 0 10 11 1 0 0 0 0 5 3 1 0 0 0 0 7 8 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00063383 > ALDRICH > 520160 > - > - > - > - > 16263043 $$$$ 12 11 0 0 1 0 0 0 0 0 1 V2000 -1.4178 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4178 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7058 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0037 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7108 0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7108 1.0198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0037 -1.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7058 1.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0618 -0.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7738 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7738 0.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0618 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 3 8 1 1 0 0 4 7 1 1 0 0 5 9 1 0 0 0 9 10 1 0 0 0 1 11 1 0 0 0 11 12 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 9 10 M SBL 1 1 8 M SMT 1 OCH3 M SBV 1 8 -3.9164 2.5205 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 11 12 M SBL 2 1 10 M SMT 2 ^OCH3 M SBV 2 10 -4.6234 3.3441 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008445 > ALDRICH > 242942 > FLUKA > 95366 > - > - > 16263043 $$$$ 42 45 0 0 1 0 0 0 0 0 1 V2000 0.2411 1.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0586 0.6383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6933 -0.3069 0.0000 Mn 0 0 0 0 0 0 0 0 0 0 0 0 1.4023 0.6813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0661 1.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4786 2.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0661 2.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2411 2.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1714 2.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2402 0.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1113 0.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7460 -0.3983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4822 -0.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2668 -0.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4383 -1.4630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8252 -2.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0406 -1.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8691 -0.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1329 -0.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3044 -1.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0890 -2.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7020 -1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5305 -0.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0443 -0.9569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3939 -0.9541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6966 -1.1342 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7020 -1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4153 -2.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8196 -1.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9888 -0.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1853 -1.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7213 -2.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9888 -2.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6491 -0.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4573 -2.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1988 -1.6873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1988 -2.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1134 -2.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7210 -2.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3771 -2.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 -2.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 -1.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 1 1 0 0 0 1 2 1 6 0 0 5 4 1 1 0 0 4 10 2 0 0 0 2 11 2 0 0 0 10 12 1 0 0 0 11 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 13 1 0 0 0 12 19 2 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 23 12 1 0 0 0 18 24 1 0 0 0 19 25 1 0 0 0 24 3 1 0 0 0 25 3 1 0 0 0 3 26 1 0 0 0 27 28 1 0 0 0 27 29 1 0 0 0 27 30 1 0 0 0 22 27 1 0 0 0 31 32 1 0 0 0 31 33 1 0 0 0 31 34 1 0 0 0 15 31 1 0 0 0 35 36 1 0 0 0 35 37 1 0 0 0 35 38 1 0 0 0 17 35 1 0 0 0 39 40 1 0 0 0 39 41 1 0 0 0 39 42 1 0 0 0 20 39 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 27 28 29 30 M SBL 1 1 33 M SMT 1 t-Bu M SBV 1 33 -9.1401 6.6648 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 31 32 33 34 M SBL 2 1 37 M SMT 2 t-B^u M SBV 2 37 -9.8871 6.3322 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 35 36 37 38 M SBL 3 1 41 M SMT 3 t-Bu M SBV 3 41 -8.5568 6.0814 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 4 39 40 41 42 M SBL 4 1 45 M SMT 4 ^t-Bu M SBV 4 45 -9.7235 6.0814 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD02101664 > ALDRICH > 404446 > FLUKA > 14715 > - > - > 16263043 $$$$ 18 17 0 0 1 0 0 0 0 0 1 V2000 -1.7862 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6112 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6112 -1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4333 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6112 0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6112 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6112 1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4333 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6112 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 5 7 2 0 0 0 2 8 2 0 0 0 15 6 1 0 0 0 11 1 1 0 0 0 4 9 1 6 0 0 3 10 1 6 0 0 11 12 1 0 0 0 11 13 1 0 0 0 11 14 1 0 0 0 15 16 1 0 0 0 15 17 1 0 0 0 15 18 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00191999 > ALDRICH > 95358 > - > - > - > - > 16263043 $$$$ 18 17 0 0 1 0 0 0 0 0 1 V2000 -1.7862 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6112 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6112 -1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4333 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6112 0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6112 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6112 1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4333 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6112 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 5 7 2 0 0 0 2 8 2 0 0 0 15 6 1 0 0 0 11 1 1 0 0 0 4 9 1 6 0 0 3 10 1 6 0 0 11 12 1 0 0 0 11 13 1 0 0 0 11 14 1 0 0 0 15 16 1 0 0 0 15 17 1 0 0 0 15 18 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00191999 > ALDRICH > 420018 > - > - > - > - > 16263043 $$$$ 42 47 0 0 0 0 0 0 0 0 1 V2000 -0.3477 1.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6475 0.7353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1044 -0.2100 0.0000 Mn 0 0 0 0 0 0 0 0 0 0 0 0 0.8134 0.7783 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4773 1.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8898 2.3820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4773 3.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3477 3.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7602 2.3820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6513 0.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7002 0.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1571 -0.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0711 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8558 -0.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0273 -1.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4142 -1.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6296 -1.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4580 -0.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5440 -0.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7155 -1.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5001 -1.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1132 -1.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -0.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6332 -0.8600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8051 -0.8572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1077 -1.0373 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8951 -1.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8092 -1.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0186 -2.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3624 -2.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4631 -1.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9801 -2.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6770 -1.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0907 -3.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4287 -2.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5805 -1.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6622 -2.9288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8373 -3.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5061 -1.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0661 -2.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6770 -1.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8155 -2.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 5 1 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 1 1 0 0 0 1 2 1 1 0 0 5 4 1 6 0 0 4 10 2 0 0 0 2 11 2 0 0 0 10 12 1 0 0 0 11 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 13 1 0 0 0 12 19 2 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 23 12 1 0 0 0 18 24 1 0 0 0 19 25 1 0 0 0 24 3 1 0 0 0 25 3 1 0 0 0 3 26 1 0 0 0 22 27 1 0 0 0 15 28 1 0 0 0 17 29 1 0 0 0 20 30 1 0 0 0 28 31 1 0 0 0 28 32 1 0 0 0 28 33 1 0 0 0 29 34 1 0 0 0 29 35 1 0 0 0 30 36 1 0 0 0 30 37 1 0 0 0 30 38 1 0 0 0 27 39 1 0 0 0 27 40 1 0 0 0 27 41 1 0 0 0 29 42 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD02101663 > ALDRICH > 404454 > FLUKA > 14717 > - > - > 16263043 $$$$ 18 17 0 0 1 0 0 0 0 0 1 V2000 -1.7862 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6112 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6112 -1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4333 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6112 0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6112 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6112 1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4333 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6112 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 5 7 2 0 0 0 2 8 2 0 0 0 15 6 1 0 0 0 11 1 1 0 0 0 3 9 1 1 0 0 4 10 1 1 0 0 11 12 1 0 0 0 11 13 1 0 0 0 11 14 1 0 0 0 15 16 1 0 0 0 15 17 1 0 0 0 15 18 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00192000 > ALDRICH > 420026 > FLUKA > 95359 > - > - > 16263043 $$$$ 26 29 0 0 1 0 0 0 0 0 1 V2000 4.2648 -3.1938 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2648 -3.7938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7844 -4.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3040 -3.7938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3040 -3.1938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7844 -2.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6941 -3.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3415 -3.4938 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6941 -3.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8521 -3.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2536 -2.9919 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9536 -2.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -2.5970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7844 -2.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 -1.9261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8536 -2.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1536 -3.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7536 -3.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0536 -2.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7536 -2.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1536 -2.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6515 -2.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8218 -3.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8218 -3.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2023 -2.5991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2023 -4.3884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 5 10 1 1 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 5 1 0 0 0 0 6 14 2 0 0 0 0 12 15 2 0 0 0 0 11 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 16 1 0 0 0 0 19 22 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 1 25 1 6 0 0 0 2 26 1 6 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD10567035 > ALDRICH > 693456 > - > - > - > - > 16263043 $$$$ 14 13 0 0 1 0 0 0 0 0 1 V2000 -3.2151 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 10 9 1 0 0 0 4 11 2 0 0 0 7 12 2 0 0 0 5 13 1 1 0 0 6 14 1 1 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00064451 > ALDRICH > 213969 > FLUKA > 95340 > - > - > 16263043 $$$$ 54 60 0 0 1 0 0 0 0 0 1 V2000 4.0273 -2.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0273 -3.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5469 -3.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0665 -3.4604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0665 -2.8604 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5469 -2.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5843 -2.5615 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5843 -3.7594 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1021 -2.8604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5843 -1.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0665 -1.6646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1021 -1.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1021 -3.4604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5843 -4.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0665 -4.6563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1021 -4.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6824 -4.3260 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6199 -1.9635 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9199 -1.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 -0.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0230 -0.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7241 -1.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0230 -1.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 -1.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2199 -1.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5189 -2.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1168 -2.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4158 -1.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1168 -1.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5189 -1.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8370 -4.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6822 -4.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1047 -4.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6819 -4.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8366 -5.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4142 -5.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9824 -3.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6835 -3.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0855 -3.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7866 -3.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0855 -4.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6835 -4.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2783 -4.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9793 -3.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3814 -3.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0824 -4.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3814 -4.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9793 -4.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7745 -2.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6197 -1.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0422 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6194 -2.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -2.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3517 -2.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23 24 2 0 0 0 0 19 24 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 6 0 0 0 4 8 1 1 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 2 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 25 30 1 0 0 0 0 10 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 31 36 1 0 0 0 0 12 18 1 0 0 0 0 18 19 1 0 0 0 0 18 25 1 0 0 0 0 17 31 1 0 0 0 0 17 37 1 0 0 0 0 17 43 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 37 42 1 0 0 0 0 18 49 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 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 43 48 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 49 54 1 0 0 0 0 G 37 17 Ph G 43 17 Ph G 19 18 Ph G 25 18 Ph G 31 17 Ph G 49 18 Ph M STY 6 1 SUP 2 SUP 3 SUP 4 SUP 5 SUP 6 SUP M SLB 6 1 1 2 2 3 3 4 4 5 5 6 6 M SAL 1 6 37 38 39 40 41 42 M SBL 1 1 31 M SMT 1 Ph M SBV 1 31 -0.3000 -0.5200 M SAL 2 6 43 44 45 46 47 48 M SBL 2 1 32 M SMT 2 Ph M SBV 2 32 -0.6000 0.0000 M SAL 3 6 19 20 21 22 23 24 M SBL 3 1 28 M SMT 3 Ph M SBV 3 28 -0.3000 -0.5200 M SAL 4 6 25 26 27 28 29 30 M SBL 4 1 29 M SMT 4 Ph M SBV 4 29 -0.6000 0.0000 M SAL 5 6 31 32 33 34 35 36 M SBL 5 1 30 M SMT 5 Ph M SBV 5 30 -0.1600 0.5800 M SAL 6 6 49 50 51 52 53 54 M SBL 6 1 39 M SMT 6 Ph M SBV 6 39 -0.1600 0.5800 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD11044409 > ALDRICH > 700533 > - > - > - > - > 16263043 $$$$ 48 52 0 0 1 0 0 0 0 0 1 V2000 3.3043 -2.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3043 -3.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8240 -3.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3436 -3.4354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3436 -2.8354 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8240 -2.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0489 -2.3490 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0176 -3.8906 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5667 -2.6479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0489 -1.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5311 -1.2646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -1.1396 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5354 -3.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0176 -4.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4998 -4.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6604 -5.1000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1783 -4.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6961 -5.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2139 -4.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2139 -4.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6961 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1783 -4.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2095 -1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2095 -2.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7273 -2.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2451 -2.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2451 -1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7273 -1.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2095 -0.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2095 0.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1739 0.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1739 -0.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6604 -5.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1426 -5.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1426 -6.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6604 -6.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1783 -6.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1783 -5.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7273 -2.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7629 -1.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6561 0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6961 -6.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6248 -6.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6961 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7317 -5.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7273 0.6542 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 6 0 0 0 4 8 1 1 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 12 23 1 0 0 0 0 12 29 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 17 22 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 23 28 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 29 34 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 35 40 1 0 0 0 0 25 41 1 0 0 0 0 27 42 1 0 0 0 0 33 43 1 0 0 0 0 39 44 1 0 0 0 0 37 45 1 0 0 0 0 21 46 1 0 0 0 0 19 47 1 0 0 0 0 31 48 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > A_____700568 > ALDRICH > 700568 > - > - > - > - > 16263043 $$$$ 40 44 0 0 1 0 0 0 0 0 1 V2000 4.3569 -2.8785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3581 -3.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8783 -3.7775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3973 -3.4765 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3961 -2.8765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8759 -2.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9134 -2.5765 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9157 -3.7744 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.4330 -2.8765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9122 -1.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3938 -1.6806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4294 -1.6786 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4353 -3.4744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9168 -4.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3996 -4.6723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4352 -4.6703 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9555 -4.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2545 -4.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8519 -4.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1507 -4.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8519 -3.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2540 -3.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9503 -1.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2493 -2.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8477 -2.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1473 -1.9717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8475 -1.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2478 -1.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4322 -1.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7312 -1.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3296 -1.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6292 -1.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3294 -0.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7297 -0.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4392 -5.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7381 -5.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3365 -5.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6361 -5.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3364 -4.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7366 -4.7441 0.0000 C 0 0 0 0 0 0 0 0 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 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 17 22 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 1 0 0 0 4 8 1 6 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 2 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 23 28 1 0 0 0 0 10 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 12 23 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 29 34 1 0 0 0 0 12 29 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 1 2 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 35 40 1 0 0 0 0 G 29 12 Ph G 17 16 Ph G 23 12 Ph G 35 16 Ph M STY 4 1 SUP 2 SUP 3 SUP 4 SUP M SLB 4 1 1 2 2 3 3 4 4 M SAL 1 6 29 30 31 32 33 34 M SBL 1 1 35 M SMT 1 Ph M SBV 1 35 0.0000 -0.6000 M SAL 2 6 17 18 19 20 21 22 M SBL 2 1 36 M SMT 2 Ph M SBV 2 36 -0.5200 -0.2900 M SAL 3 6 23 24 25 26 27 28 M SBL 3 1 28 M SMT 3 Ph M SBV 3 28 -0.5300 0.3000 M SAL 4 6 35 36 37 38 39 40 M SBL 4 1 37 M SMT 4 Ph M SBV 4 37 0.0000 0.6000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD11044408 > ALDRICH > 700592 > - > - > - > - > 16263043 $$$$ 54 60 0 0 1 0 0 0 0 0 1 V2000 4.0273 -2.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0273 -3.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5469 -3.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0582 -3.4896 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0665 -2.8604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5469 -2.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5843 -2.5615 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5760 -3.7885 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1021 -2.8604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5843 -1.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0665 -1.6646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1021 -1.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0938 -3.4896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5760 -4.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0582 -4.6854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0938 -4.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6741 -4.3552 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6199 -1.9635 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9199 -1.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 -0.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0230 -0.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7241 -1.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0230 -1.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 -1.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2199 -1.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5189 -2.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1168 -2.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4158 -1.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1168 -1.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5189 -1.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8286 -4.9340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6739 -4.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0963 -4.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6735 -4.6245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8283 -5.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4058 -5.3568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9741 -3.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6751 -3.3193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0772 -3.3193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7783 -3.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0772 -4.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6751 -4.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2699 -4.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9710 -3.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3730 -3.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0741 -4.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3730 -4.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9710 -4.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7745 -2.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6197 -1.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0422 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6194 -2.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -2.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3517 -2.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23 24 2 0 0 0 0 19 24 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 1 0 0 0 4 8 1 6 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 2 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 25 30 1 0 0 0 0 10 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 31 36 1 0 0 0 0 12 18 1 0 0 0 0 18 19 1 0 0 0 0 18 25 1 0 0 0 0 17 31 1 0 0 0 0 17 37 1 0 0 0 0 17 43 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 37 42 1 0 0 0 0 18 49 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 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 43 48 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 49 54 1 0 0 0 0 G 37 17 Ph G 43 17 Ph G 19 18 Ph G 25 18 Ph G 31 17 Ph G 49 18 Ph M STY 6 1 SUP 2 SUP 3 SUP 4 SUP 5 SUP 6 SUP M SLB 6 1 1 2 2 3 3 4 4 5 5 6 6 M SAL 1 6 37 38 39 40 41 42 M SBL 1 1 31 M SMT 1 Ph M SBV 1 31 -0.3000 -0.5200 M SAL 2 6 43 44 45 46 47 48 M SBL 2 1 32 M SMT 2 Ph M SBV 2 32 -0.5900 0.0000 M SAL 3 6 19 20 21 22 23 24 M SBL 3 1 28 M SMT 3 Ph M SBV 3 28 -0.3000 -0.5200 M SAL 4 6 25 26 27 28 29 30 M SBL 4 1 29 M SMT 4 Ph M SBV 4 29 -0.6000 0.0000 M SAL 5 6 31 32 33 34 35 36 M SBL 5 1 30 M SMT 5 Ph M SBV 5 30 -0.1500 0.5800 M SAL 6 6 49 50 51 52 53 54 M SBL 6 1 39 M SMT 6 Ph M SBV 6 39 -0.1600 0.5800 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD11044407 > ALDRICH > 700541 > - > - > - > - > 16263043 $$$$ 40 44 0 0 1 0 0 0 0 0 1 V2000 3.2887 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2872 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8061 -2.8737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3264 -3.1725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3279 -3.7725 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8090 -4.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8464 -4.0701 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.8435 -2.8722 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4260 -3.8530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8479 -4.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3308 -4.9683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3665 -4.9658 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3935 -3.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8421 -2.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3235 -1.9766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3591 -1.9741 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8777 -2.2718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3947 -1.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9133 -2.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9148 -2.8672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3977 -3.1674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8791 -2.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8835 -4.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8821 -4.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3991 -3.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9177 -4.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9192 -4.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4021 -4.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3679 -5.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8865 -5.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8879 -6.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3708 -6.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8523 -6.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8508 -5.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3577 -1.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8391 -1.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8377 -0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3547 -0.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8733 -0.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8747 -1.0760 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 1 0 0 0 4 8 1 6 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 12 23 1 0 0 0 0 12 29 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 17 22 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 23 28 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 29 34 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 35 40 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD11044410 > ALDRICH > 700576 > - > - > - > - > 16263043 $$$$ 48 52 0 0 1 0 0 0 0 0 1 V2000 3.3043 -2.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3043 -3.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8240 -3.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3436 -3.4354 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3436 -2.8354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8240 -2.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0489 -2.3490 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0176 -3.8906 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5667 -2.6479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0489 -1.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5311 -1.2646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -1.1396 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5354 -3.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0176 -4.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4998 -4.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6604 -5.1000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1783 -4.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6961 -5.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2139 -4.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2139 -4.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6961 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1783 -4.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2095 -1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2095 -2.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7273 -2.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2451 -2.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2451 -1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7273 -1.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2095 -0.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2095 0.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1739 0.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1739 -0.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6604 -5.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1426 -5.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1426 -6.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6604 -6.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1783 -6.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1783 -5.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7273 -2.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7629 -1.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6561 0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6961 -6.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6248 -6.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6961 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7317 -5.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7273 0.6542 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 1 0 0 0 4 8 1 6 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 12 23 1 0 0 0 0 12 29 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 17 22 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 23 28 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 29 34 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 35 40 1 0 0 0 0 25 41 1 0 0 0 0 27 42 1 0 0 0 0 33 43 1 0 0 0 0 39 44 1 0 0 0 0 37 45 1 0 0 0 0 21 46 1 0 0 0 0 19 47 1 0 0 0 0 31 48 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > A_____700584 > ALDRICH > 700584 > - > - > - > - > 16263043 $$$$