14 13 0 0 1 0 0 0 0 0 1 V2000 3.1417 -5.7625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -5.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.4750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.6042 -5.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -4.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5708 -5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -5.3750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7125 -5.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -4.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -6.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -6.6542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6625 -3.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -6.6542 0.0000 H 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 1 2 0 0 0 0 5 2 2 0 0 0 0 6 8 1 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 6 2 0 0 0 0 8 10 1 6 0 0 0 11 6 1 0 0 0 0 13 3 1 0 0 0 0 14 12 1 0 0 0 0 3 5 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > MFCD00237977 > F > 87932 > - > - > - > - $$$$ 11 11 0 0 1 0 0 0 0 0 1 V2000 4.6042 -6.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0708 -6.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 -5.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0208 -7.9333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 -7.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7333 -6.0833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6792 -7.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5833 -7.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2208 -5.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8917 -6.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 1 0 0 0 0 4 2 1 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 7 4 1 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 7 10 1 6 0 0 0 11 3 2 0 0 0 0 8 5 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > MFCD00064315 > F > 53320 > S > H6034 > - > - $$$$ 26 26 0 0 1 0 0 0 0 0 1 V2000 -0.2062 1.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9207 1.8680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5083 1.8680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2062 0.6305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9207 2.6901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2203 1.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0453 1.4569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3002 0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6328 0.1874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9653 0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9183 -0.6029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2062 -1.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6173 -1.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2049 -0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5059 -1.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9183 0.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2062 0.6305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6328 1.4569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3447 1.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9208 -1.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9208 -1.8680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0986 -1.8680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7429 -1.8680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9208 -2.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6328 -0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3447 -1.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 6 2 5 2 0 3 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 6 2 0 4 16 1 0 11 12 1 0 12 13 1 0 12 14 1 0 12 15 1 0 16 17 2 0 11 16 1 0 2 18 1 0 18 19 1 0 9 25 1 0 20 21 1 0 21 22 1 0 21 23 1 0 21 24 1 0 25 26 2 0 20 25 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 11 12 13 14 15 16 17 M SBL 1 1 11 M SMT 1 ^Boc M SBV 1 11 0.7121 0.4111 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 18 19 M SBL 2 1 18 M SMT 2 ^OCH3 M SBV 2 18 0.7121 0.4111 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 7 20 21 22 23 24 25 26 M SBL 3 1 20 M SMT 3 Boc M SBV 3 20 0.0000 0.8221 M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > MFCD03094049 > A > 550752 > - > - > - > - $$$$ 47 53 0 0 1 0 0 0 0 0 1 V2000 7.9042 -8.0125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7083 -4.0833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9042 -8.8375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9958 -2.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -4.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7083 -3.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9958 -4.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5750 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 -6.7458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -6.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8458 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -6.0292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8458 -5.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8458 -6.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4208 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1333 -4.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5583 -4.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -8.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9042 -9.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7292 -8.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -7.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0208 -6.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9958 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -4.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -2.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9958 -5.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6208 -10.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 -9.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 -8.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6667 -8.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6667 -9.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 -10.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7083 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -5.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -5.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9667 -9.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9667 -8.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 -10.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6208 -10.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -8.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -9.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3792 -8.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -8.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9042 -11.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 17 1 0 0 0 0 3 1 1 0 0 0 0 4 6 2 0 0 0 0 5 7 2 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 1 1 0 0 0 0 11 10 2 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 13 14 1 1 0 0 0 15 13 1 0 0 0 0 16 11 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 19 12 2 0 0 0 0 20 3 1 0 0 0 0 21 3 1 0 0 0 0 22 3 1 0 0 0 0 23 15 2 0 0 0 0 24 15 1 0 0 0 0 25 4 1 0 0 0 0 26 5 1 0 0 0 0 27 6 1 0 0 0 0 28 7 1 0 0 0 0 29 21 1 0 0 0 0 30 22 2 0 0 0 0 31 22 1 0 0 0 0 32 20 2 0 0 0 0 33 20 1 0 0 0 0 34 21 2 0 0 0 0 35 38 1 0 0 0 0 36 37 1 0 0 0 0 37 28 2 0 0 0 0 38 27 2 0 0 0 0 39 30 1 0 0 0 0 40 31 2 0 0 0 0 41 34 1 0 0 0 0 42 29 2 0 0 0 0 43 32 1 0 0 0 0 44 33 2 0 0 0 0 45 40 1 0 0 0 0 46 44 1 0 0 0 0 47 42 1 0 0 0 0 11 9 1 0 0 0 0 47 41 2 0 0 0 0 46 43 2 0 0 0 0 45 39 2 0 0 0 0 4 5 1 0 0 0 0 36 26 2 0 0 0 0 25 35 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > MFCD00043332 > A > 531499 > F > 47639 > - > - $$$$ 16 14 0 0 1 0 0 0 0 0 1 V2000 1.2167 -5.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 -5.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -6.7042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -4.8542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2917 -6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -5.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -4.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -6.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -7.4250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -7.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -7.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -7.6250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -7.6250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 1 0 0 0 0 4 2 1 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 7 4 1 0 0 0 0 8 2 2 0 0 0 0 9 3 2 0 0 0 0 7 10 1 1 0 0 0 11 3 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 13 1 0 0 0 0 5 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > MFCD00150081 > F > 53380 > S > H7625 > - > - $$$$ 16 14 0 0 1 0 0 0 0 0 1 V2000 7.1199 -8.8414 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -8.8333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1199 -7.8122 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -7.8042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2233 -5.6176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9378 -6.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9378 -6.8523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2067 -4.7491 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7636 -7.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5116 -6.6455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6866 -6.6424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4288 -7.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0944 -7.9134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5089 -6.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6523 -5.6176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3643 -6.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 6 5 1 0 0 0 0 6 7 2 0 0 0 0 5 8 1 6 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 9 1 0 0 0 0 5 14 1 0 0 0 0 10 14 1 0 0 0 0 6 15 1 0 0 0 0 1 2 1 0 0 0 0 15 16 1 0 0 0 0 G 15 6 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 15 16 M SBL 1 1 12 M SMT 1 OCH3 M SBV 1 12 -0.7200 -0.4100 M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > MFCD00012701 > A > H15403 > F > 53360 > - > - $$$$ 18 18 0 0 1 0 0 0 0 0 1 V2000 1.4667 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2875 -2.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1833 -1.6250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8958 -1.2083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8917 -0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 -3.7167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 -1.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -2.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 -0.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 0.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -1.2250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6042 0.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 1 0 0 0 5 4 1 0 0 0 0 6 7 1 0 0 0 0 7 4 1 0 0 0 0 8 11 1 0 0 0 0 9 2 2 0 0 0 0 10 1 1 0 0 0 0 11 6 2 0 0 0 0 12 1 2 0 0 0 0 13 5 2 0 0 0 0 14 10 1 0 0 0 0 15 5 1 0 0 0 0 16 14 1 0 0 0 0 17 14 1 0 0 0 0 18 14 1 0 0 0 0 9 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > MFCD00037851 > F > 15119 > - > - > - > - $$$$ 58 65 0 0 1 0 0 0 0 0 1 V2000 4.8522 -7.5495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2647 -6.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8522 -6.1199 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2647 -5.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8522 -4.6904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0899 -5.4066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9251 -6.1514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0328 -7.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8696 -8.4577 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5885 -8.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -8.3058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9149 -5.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3274 -6.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1468 -6.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5564 -5.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1468 -4.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3274 -4.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9178 -3.9827 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5593 -3.9827 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.3816 -5.4066 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5593 -6.8303 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9149 -6.8333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1341 -8.8343 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5452 -9.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4245 -9.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7230 -8.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1378 -7.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7310 -6.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9180 -6.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5115 -7.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9179 -8.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1329 -10.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5410 -10.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3552 -10.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7619 -10.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3555 -9.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7082 -8.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0025 -9.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0025 -10.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7067 -10.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4106 -10.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5123 -9.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3166 -10.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7277 -9.3439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1775 -8.7329 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4264 -9.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6752 -8.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0101 -9.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -10.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8471 -10.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7277 -10.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5499 -10.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9610 -10.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5499 -9.3439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3485 -7.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1305 -7.6745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3014 -6.8703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6904 -6.3201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 12 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 12 17 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 26 31 1 0 0 0 0 24 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 24 36 1 0 0 0 0 25 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 25 41 1 0 0 0 0 17 18 1 0 0 0 0 16 19 1 0 0 0 0 15 20 1 0 0 0 0 14 21 1 0 0 0 0 13 22 1 0 0 0 0 9 23 1 0 0 0 0 7 57 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 4 5 2 0 0 0 0 4 6 1 0 0 0 0 3 7 1 6 0 0 0 1 8 2 0 0 0 0 8 9 1 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 42 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 42 50 1 0 0 0 0 43 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 44 54 1 0 0 0 0 45 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 G 23 9 Trt G 57 7 Fmoc M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 15 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 M SAL 1 4 38 39 40 41 M SBL 1 1 37 M SMT 1 Trt M SBV 1 37 0.7300 0.3800 M SAL 2 15 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 M SAL 2 2 57 58 M SBL 2 1 38 M SMT 2 Fmoc M SBV 2 38 0.6200 0.7100 M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > MFCD00065653 > F > 47477 > - > - > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.4477 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7465 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2626 -0.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0454 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7465 -3.2995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9887 -2.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0455 0.7663 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0454 3.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9091 -0.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2637 -2.7187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9091 -0.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 10 11 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > MFCD00005208 > F > 53330 > S > H7750 > - > - $$$$ 56 63 0 0 1 0 0 0 0 0 1 V2000 5.0689 -7.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4814 -6.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0689 -6.1604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4814 -5.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0689 -4.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3066 -5.4471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3001 -6.1502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2495 -7.6873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0863 -8.4982 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.8052 -8.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4127 -8.3463 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1316 -5.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5441 -6.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3635 -6.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7731 -5.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3635 -4.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5441 -4.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1345 -4.0268 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.7760 -4.0268 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.5983 -5.4471 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.7760 -6.8708 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1316 -6.8738 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7331 -8.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5374 -8.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9485 -8.0011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3983 -7.3901 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6472 -7.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 -7.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2308 -7.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3168 -8.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0679 -9.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9485 -9.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7707 -9.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1818 -8.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7707 -8.0011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5693 -6.5858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3512 -6.3317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5222 -5.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9112 -4.9773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5077 -11.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3132 -11.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7243 -11.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1808 -10.6498 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4274 -10.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6786 -10.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0101 -11.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0904 -11.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8392 -12.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7231 -12.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5392 -12.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9464 -11.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5397 -11.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3573 -9.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1410 -9.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3175 -8.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7102 -8.2406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 12 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 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 23 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 25 35 1 0 0 0 0 26 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 16 17 2 0 0 0 0 12 17 1 0 0 0 0 17 18 1 0 0 0 0 16 19 1 0 0 0 0 15 20 1 0 0 0 0 14 21 1 0 0 0 0 13 22 1 0 0 0 0 7 38 1 0 0 0 0 9 55 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 4 5 2 0 0 0 0 4 6 1 0 0 0 0 3 7 1 6 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 40 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 40 48 1 0 0 0 0 41 49 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 42 52 1 0 0 0 0 43 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 G 38 7 Fmoc G 55 9 Fmoc M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 15 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 M SAL 1 2 38 39 M SBL 1 1 37 M SMT 1 Fmoc M SBV 1 37 0.7800 -0.6300 M SAL 2 15 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 M SAL 2 2 55 56 M SBL 2 1 38 M SMT 2 Fmoc M SBV 2 38 0.7700 0.3000 M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > MFCD00077058 > F > 47464 > - > - > - > - $$$$ 38 42 0 0 1 0 0 0 0 0 1 V2000 6.4821 -6.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9696 -6.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6321 -5.2775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1196 -4.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7821 -3.8521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9406 -4.6934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8091 -5.1882 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6585 -6.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4078 -7.4862 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0642 -7.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7342 -7.4842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4369 -7.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8480 -8.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6678 -8.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0758 -7.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6687 -7.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8553 -7.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9060 -7.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6171 -7.7410 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.6171 -8.5562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7949 -7.7410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5338 -8.8760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3381 -9.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7492 -8.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1990 -7.7238 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4479 -8.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6967 -7.7238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0315 -8.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1175 -9.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8686 -9.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7492 -9.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5714 -9.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9825 -9.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5714 -8.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3700 -6.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1519 -6.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3229 -5.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7119 -5.3110 0.0000 O 0 0 0 0 0 0 0 0 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 12 17 1 0 0 0 0 15 18 1 0 0 0 0 12 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 10 11 2 0 0 0 0 1 11 1 0 0 0 0 9 19 1 0 0 0 0 7 37 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 4 5 2 0 0 0 0 4 6 1 0 0 0 0 3 7 1 6 0 0 0 1 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 22 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 22 30 1 0 0 0 0 23 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 24 34 1 0 0 0 0 25 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 G 19 9 Tos G 37 7 Fmoc M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 10 12 13 14 15 16 17 18 19 20 21 M SBL 1 1 11 M SMT 1 Tos M SBV 1 11 0.7900 0.2500 M SAL 2 15 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 M SAL 2 2 37 38 M SBL 2 1 12 M SMT 2 Fmoc M SBV 2 12 0.4800 0.6700 M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > MFCD00144353 > F > 47535 > - > - > - > - $$$$ 48 54 0 0 1 0 0 0 0 0 1 V2000 7.1482 -6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6357 -5.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2982 -5.2206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7857 -4.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4482 -3.7951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6068 -4.6364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4752 -5.1312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3288 -6.6433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0740 -7.4250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.7304 -7.9108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4003 -7.4272 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2858 -7.6813 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5412 -8.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9523 -9.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7748 -9.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1862 -8.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7747 -7.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9516 -7.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4990 -7.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0879 -7.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2639 -7.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8505 -7.9378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2645 -8.6549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0932 -8.6549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0331 -6.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6220 -6.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7981 -6.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3848 -6.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7987 -7.6128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6273 -7.6128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5682 -6.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -8.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -8.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4153 -8.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8651 -7.6627 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1140 -7.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3629 -7.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6977 -8.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7836 -8.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5348 -9.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4153 -9.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -9.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6487 -8.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -8.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0361 -6.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8181 -6.6044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9890 -5.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3780 -5.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 5 2 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 23 24 2 0 0 0 0 19 24 1 0 0 0 0 4 6 1 0 0 0 0 3 7 1 6 0 0 0 1 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 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 28 29 1 0 0 0 0 29 30 2 0 0 0 0 25 30 1 0 0 0 0 28 31 1 0 0 0 0 10 11 2 0 0 0 0 1 11 1 0 0 0 0 9 12 1 0 0 0 0 12 25 1 0 0 0 0 12 19 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 13 18 1 0 0 0 0 12 13 1 0 0 0 0 7 47 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 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 32 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 32 40 1 0 0 0 0 33 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 34 44 1 0 0 0 0 35 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 G 13 12 Ph G 25 12 p-Tolyl G 19 12 Ph G 47 7 Fmoc 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 13 14 15 16 17 18 M SBL 1 1 31 M SMT 1 Ph M SBV 1 31 -0.2500 0.7900 M SAL 2 7 25 26 27 28 29 30 31 M SBL 2 1 23 M SMT 2 p-Tolyl M SBV 2 23 0.2600 -0.7800 M SAL 3 6 19 20 21 22 23 24 M SBL 3 1 24 M SMT 3 Ph M SBV 3 24 0.7900 0.2600 M SAL 4 15 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 M SAL 4 2 47 48 M SBL 4 1 32 M SMT 4 Fmoc M SBV 4 32 0.4900 0.6800 M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > MFCD00153358 > F > 47526 > - > - > - > - $$$$ 37 40 0 0 1 0 0 0 0 0 1 V2000 5.5916 -8.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0791 -7.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7416 -6.6411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2291 -5.9695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8916 -5.2157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0460 -6.0570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7680 -8.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5132 -8.8497 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.1737 -9.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8437 -8.8477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9197 -6.5525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2245 -7.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8059 -7.5906 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2245 -8.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3873 -7.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3873 -8.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4303 -7.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2175 -8.0162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7277 -9.1012 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1388 -9.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0181 -9.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3166 -8.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7314 -7.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3246 -6.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5116 -6.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1051 -7.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5115 -8.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7265 -10.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1346 -11.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9488 -11.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3555 -10.5298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9491 -9.8258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3018 -9.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5961 -9.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5961 -10.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3003 -10.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -10.3186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 8 19 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 4 5 2 0 0 0 0 4 6 1 0 0 0 0 1 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 1 10 1 0 0 0 0 3 11 1 6 0 0 0 11 17 1 0 0 0 0 17 18 2 0 0 0 0 12 17 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 22 27 1 0 0 0 0 20 28 2 0 0 0 0 28 29 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 20 32 1 0 0 0 0 21 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 21 37 1 0 0 0 0 G 17 11 Boc G 19 8 Trt M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 7 12 13 14 15 16 17 18 M SBL 1 1 15 M SMT 1 Boc M SBV 1 15 0.4900 0.6700 M SAL 2 15 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 M SAL 2 4 34 35 36 37 M SBL 2 1 3 M SMT 2 Trt M SBV 2 3 0.7900 0.2600 M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > MFCD00153307 > F > 15449 > - > - > - > - $$$$ 42 45 0 0 1 0 0 0 0 0 1 V2000 5.8191 -6.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3066 -6.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9691 -5.4219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4566 -4.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1191 -3.9966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2776 -4.8378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1461 -5.3368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9997 -6.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7448 -7.6306 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4012 -8.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0711 -7.6327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9995 -6.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9995 -7.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7086 -8.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4273 -7.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4273 -6.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7086 -6.5407 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7086 -5.7157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8708 -9.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -9.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0861 -8.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5360 -7.8683 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7848 -8.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0337 -7.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3685 -8.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4544 -9.1693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2056 -9.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0861 -9.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9084 -9.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3195 -9.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9084 -8.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7069 -7.0640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4889 -6.8099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6599 -6.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0488 -5.4555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2474 -8.2963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5354 -7.8851 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9479 -7.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1257 -8.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8233 -7.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9574 -7.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9574 -7.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9 41 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 4 5 2 0 0 0 0 4 6 1 0 0 0 0 3 7 1 6 0 0 0 1 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 1 11 1 0 0 0 0 12 13 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 19 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 21 31 1 0 0 0 0 22 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 12 17 1 0 0 0 0 17 18 1 0 0 0 0 7 34 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 40 1 0 0 0 0 41 42 2 0 0 0 0 36 41 1 0 0 0 0 G 34 7 Fmoc G 41 9 Boc M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 15 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 M SAL 1 2 34 35 M SBL 1 1 39 M SMT 1 Fmoc M SBV 1 39 0.4900 0.6700 M SAL 2 7 36 37 38 39 40 41 42 M SBL 2 1 1 M SMT 2 Boc M SBV 2 1 0.7900 0.2600 M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > MFCD00153357 > F > 47515 > - > - > - > - $$$$ 30 31 0 0 1 0 0 0 0 0 1 V2000 5.7971 -7.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6250 -6.8271 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.8801 -7.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0551 -8.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9458 -6.7040 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3269 -7.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6163 -5.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7884 -6.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3933 -7.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7670 -4.5883 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6163 -4.5553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0288 -3.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0288 -5.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2183 -6.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4763 -6.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6163 -3.1114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8538 -3.8534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2370 -8.4596 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.2370 -7.6374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5230 -8.8719 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.0998 -3.9695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6812 -3.3881 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2626 -3.9695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0998 -2.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2626 -2.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2987 -3.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7173 -4.3310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7379 -8.1516 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7379 -7.3294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4497 -8.5625 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5 6 2 0 0 0 0 2 6 1 0 0 0 0 7 8 2 0 0 0 0 2 8 1 0 0 0 0 4 9 1 0 0 0 0 11 10 1 1 0 0 0 11 13 1 0 0 0 0 11 12 1 0 0 0 0 7 13 1 0 0 0 0 3 14 2 0 0 0 0 14 15 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 9 15 2 0 0 0 0 5 7 1 0 0 0 0 1 18 1 0 0 0 0 10 26 1 0 0 0 0 9 28 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 26 27 2 0 0 0 0 21 26 1 0 0 0 0 2 3 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 G 18 1 NO2 G 26 10 Boc G 28 9 NO2 M CHG 4 18 1 20 -1 28 1 30 -1 M STY 3 1 SUP 2 SUP 3 SUP M SLB 3 1 1 2 2 3 3 M SAL 1 3 18 19 20 M SBL 1 1 18 M SMT 1 NO2 M SBV 1 18 -0.4400 0.4700 M SAL 2 7 21 22 23 24 25 26 27 M SBL 2 1 19 M SMT 2 Boc M SBV 2 19 0.4700 -0.8400 M SAL 3 3 28 29 30 M SBL 3 1 20 M SMT 3 NO2 M SBV 3 20 0.6600 0.3400 M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > MFCD03095491 > F > 58616 > - > - > - > - $$$$ 34 37 0 0 1 0 0 0 0 0 1 V2000 7.2189 -6.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6314 -6.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2189 -5.4469 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6314 -4.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2189 -4.0174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4566 -4.7336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3293 -5.4993 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3995 -6.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2363 -7.7847 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.9552 -8.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5627 -7.6327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4856 -8.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8124 -7.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0768 -8.0265 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4880 -8.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3672 -8.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6657 -7.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8540 -7.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6582 -7.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0694 -7.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5192 -6.6391 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7680 -6.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0169 -6.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3517 -7.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4377 -7.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1888 -8.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0694 -8.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8916 -8.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3027 -7.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8916 -7.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6901 -5.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4721 -5.5807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6431 -4.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0320 -4.2263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 1 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 1 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 7 33 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 4 5 2 0 0 0 0 4 6 1 0 0 0 0 3 7 1 6 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 1 0 0 0 0 18 22 2 0 0 0 0 22 23 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 18 26 1 0 0 0 0 19 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 20 30 1 0 0 0 0 21 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 G 14 13 t-Bu G 33 7 Fmoc M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 4 14 15 16 17 M SBL 1 1 11 M SMT 1 t-Bu M SBV 1 11 0.7300 0.3700 M SAL 2 15 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 M SAL 2 2 33 34 M SBL 2 1 12 M SMT 2 Fmoc M SBV 2 12 0.6800 -0.7200 M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > MFCD04118318 > F > 47566 > - > - > - > - $$$$ 41 43 0 0 1 0 0 0 0 0 1 V2000 6.5336 -3.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9461 -2.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5336 -1.8840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9461 -1.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5336 -0.4545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7713 -1.1707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7142 -3.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5510 -4.2218 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.2699 -4.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8774 -4.0698 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9492 -1.2996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8003 -4.5656 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.1271 -4.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2159 -5.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2128 -5.2789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2215 -3.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5570 -2.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7978 -3.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7004 -3.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3621 -4.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 -2.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4208 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4208 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1329 -4.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8449 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8449 -3.0875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1329 -2.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5605 -2.6771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 -3.0875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.2686 -3.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9748 -4.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6878 -3.9127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6900 -3.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9793 -2.6765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0623 -1.5355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6437 -2.1169 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0623 -2.6983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2251 -1.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2251 -2.6983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2681 -1.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0553 -2.5425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 13 20 1 0 0 0 0 18 21 1 0 0 0 0 11 40 1 0 0 0 0 22 23 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 4 5 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 4 6 1 0 0 0 0 26 28 1 0 0 0 0 1 7 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 1 10 1 0 0 0 0 3 11 1 6 0 0 0 29 34 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 8 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 12 15 2 0 0 0 0 13 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 40 41 2 0 0 0 0 35 40 1 0 0 0 0 G 40 11 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 35 36 37 38 39 40 41 M SBL 1 1 5 M SMT 1 Boc M SBV 1 5 0.6800 0.4500 M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > MFCD00039005 > F > 15507 > - > - > - > - $$$$ 27 28 0 0 1 0 0 0 0 0 1 V2000 1.8414 0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2704 0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9849 0.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2704 1.3844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 -0.6724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 0.1497 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.1198 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3819 -0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 0.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5559 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2704 0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9849 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9849 -0.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2704 -1.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5559 -0.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8439 -1.0835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1319 -0.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5430 0.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7209 -1.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4199 -0.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 -0.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 0.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 3 5 2 0 0 0 2 6 1 6 0 0 7 1 1 0 0 0 8 7 1 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 7 2 0 0 0 12 8 1 0 0 0 13 12 1 0 0 0 14 13 1 0 0 0 15 14 1 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 19 20 1 0 0 0 20 15 2 0 0 0 6 26 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 22 24 1 0 0 0 22 25 1 0 0 0 26 27 2 0 0 0 21 26 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 21 22 23 24 25 26 27 M SBL 1 1 22 M SMT 1 Boc M SBV 1 22 -7.3385 4.5899 M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > MFCD00076940 > F > 15077 > - > - > - > - $$$$ 25 26 0 0 1 0 0 0 0 0 1 V2000 7.2583 -7.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6708 -6.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2583 -5.8383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6708 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2583 -4.4088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4960 -5.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4389 -7.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2757 -8.1761 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.9947 -8.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6021 -8.0242 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6114 -5.8414 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5251 -8.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8518 -8.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9463 -7.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2817 -6.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5225 -7.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4252 -7.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0868 -8.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8412 -4.8773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4226 -5.4587 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8412 -6.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0040 -4.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0040 -6.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0470 -5.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8342 -5.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 1 10 1 0 0 0 0 3 11 1 6 0 0 0 8 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 13 18 1 0 0 0 0 11 24 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 1 7 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 24 25 2 0 0 0 0 19 24 1 0 0 0 0 G 24 11 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 19 20 21 22 23 24 25 M SBL 1 1 14 M SMT 1 Boc M SBV 1 14 0.5600 -0.7500 M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > MFCD00066093 > F > 15534 > - > - > - > - $$$$ 30 33 0 0 1 0 0 0 0 0 1 V2000 1.5583 -3.8458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.8042 -4.1792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2708 -4.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8833 -3.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -2.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5583 -1.5333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0875 -4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4333 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1708 -4.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -0.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7333 -1.5333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -0.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8875 -2.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3875 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 -5.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 -5.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5208 -2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7583 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3583 -5.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3417 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3042 -1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -5.3917 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 1 1 0 0 0 0 6 5 2 0 0 0 0 7 9 1 0 0 0 0 8 6 1 0 0 0 0 9 8 1 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 2 1 0 0 0 0 13 7 2 0 0 0 0 9 14 1 6 0 0 0 15 7 1 0 0 0 0 16 11 2 0 0 0 0 17 11 1 0 0 0 0 18 10 2 0 0 0 0 19 10 1 0 0 0 0 20 12 2 0 0 0 0 21 12 1 0 0 0 0 22 19 2 0 0 0 0 23 16 1 0 0 0 0 24 17 2 0 0 0 0 25 20 1 0 0 0 0 26 21 2 0 0 0 0 27 18 1 0 0 0 0 28 26 1 0 0 0 0 29 24 1 0 0 0 0 30 22 1 0 0 0 0 6 4 1 0 0 0 0 29 23 2 0 0 0 0 30 27 2 0 0 0 0 28 25 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > MFCD00153444 > F > 94469 > - > - > - > - $$$$ 28 30 0 0 1 0 0 0 0 0 1 V2000 6.7974 -3.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2099 -2.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7974 -2.2728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2099 -1.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7974 -0.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0351 -1.5593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2130 -1.6882 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4164 -1.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8320 -1.3216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2045 -2.6997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0357 -1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4513 -0.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6688 -0.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0873 0.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2881 0.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0703 -0.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6518 -1.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9780 -3.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8148 -4.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5337 -5.0173 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.1412 -4.4587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6284 -5.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4204 -5.9973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8315 -6.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6566 -6.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0713 -5.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6555 -5.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8229 -5.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 7 1 6 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 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 12 17 1 0 0 0 0 18 1 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 1 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 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 4 5 2 0 0 0 0 4 6 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 G 23 22 C6H5 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 23 24 25 26 27 28 M SBL 1 1 19 M SDI 1 4 7.1000 -6.1400 7.1900 -5.7400 M SMT 1 C6H5 M SBV 1 19 -0.7900 0.1600 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > MFCD00037892 > F > 96016 > - > - > - > - $$$$ 38 39 0 0 0 0 0 0 0 0 1 V2000 2.1083 -3.0625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5958 -2.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -4.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -4.5083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3458 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -2.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 0.1333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -0.8708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9375 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 -1.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1583 -2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 0.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -3.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -1.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2125 1.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2042 0.3667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3292 -0.6583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0333 0.0750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1583 -1.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9958 -0.9833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.9667 1.8000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3000 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9292 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6250 -2.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1083 1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0583 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6625 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3292 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6333 2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2833 2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3292 -3.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6625 -3.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6333 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2833 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9958 -4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9667 4.8875 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 1 1 0 0 0 0 6 8 1 0 0 0 0 7 5 2 0 0 0 0 9 8 1 6 0 0 0 9 12 1 0 0 0 0 10 9 1 0 0 0 0 11 2 1 0 0 0 0 12 7 1 0 0 0 0 13 6 1 0 0 0 0 14 2 2 0 0 0 0 15 6 2 0 0 0 0 16 10 2 0 0 0 0 18 11 1 0 0 0 0 19 13 1 0 0 0 0 20 10 1 0 0 0 0 21 17 1 0 0 0 0 22 17 1 0 0 0 0 23 18 1 0 0 0 0 24 18 1 0 0 0 0 25 18 1 0 0 0 0 26 19 1 0 0 0 0 27 19 1 0 0 0 0 28 19 1 0 0 0 0 29 21 1 0 0 0 0 30 21 1 0 0 0 0 31 22 1 0 0 0 0 32 22 1 0 0 0 0 33 30 1 0 0 0 0 34 29 1 0 0 0 0 35 31 1 0 0 0 0 36 32 1 0 0 0 0 37 33 1 0 0 0 0 38 36 1 0 0 0 0 7 4 1 0 0 0 0 35 38 1 0 0 0 0 34 37 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > MFCD00042752 > F > 15427 > - > - > - > - $$$$ 19 21 0 0 1 0 0 0 0 0 1 V2000 0.2038 -0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0288 -0.4123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0511 -1.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6163 -1.6818 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2838 -1.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0657 -1.4509 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2794 0.2529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5121 0.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3371 0.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7496 0.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3371 1.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5121 1.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0996 0.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7656 -1.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 -1.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 -0.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2647 -0.1169 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7496 -0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2647 -1.4518 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 2 1 0 0 0 5 6 2 0 0 0 1 7 2 0 0 0 2 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 8 1 0 0 0 3 14 1 1 0 0 15 14 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 15 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > F______99147 > F > 99147 > - > - > - > - $$$$ 33 36 0 0 1 0 0 0 0 0 1 V2000 4.6059 -7.7087 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.3078 -8.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9267 -7.5856 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7720 -6.9237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5972 -6.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0097 -4.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0097 -6.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5972 -5.3966 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5972 -3.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8347 -4.6947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8033 -5.4017 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2501 -5.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0324 -5.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4478 -6.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8806 -8.0790 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2917 -8.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1682 -8.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4695 -7.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8801 -6.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4685 -5.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6452 -5.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2335 -6.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6452 -7.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8807 -9.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2922 -10.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1154 -10.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5270 -9.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1154 -8.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4567 -8.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7438 -8.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7438 -9.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4569 -9.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1699 -9.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 4 5 2 0 0 0 0 6 8 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 8 11 1 6 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 3 5 1 0 0 0 0 1 15 1 0 0 0 0 1 2 1 0 0 0 0 2 3 2 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 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 18 23 1 0 0 0 0 16 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 16 28 1 0 0 0 0 17 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 17 33 1 0 0 0 0 G 15 1 Trt M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 M SAL 1 4 30 31 32 33 M SBL 1 1 13 M SMT 1 Trt M SBV 1 13 0.7300 0.3700 M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > MFCD03095456 > F > 71588 > - > - > - > - $$$$ 12 12 0 0 1 0 0 0 0 0 1 V2000 -0.7765 0.2050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0485 0.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0314 -0.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 -1.0646 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.3035 -0.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 -1.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4775 0.2050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1919 0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9064 0.2050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4775 -0.6172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1919 1.4396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 2 2 0 0 0 0 4 6 1 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 8 11 1 1 0 0 0 9 12 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > MFCD00005295 > F > 67520 > - > - > - > - $$$$ 27 28 0 0 1 0 0 0 0 0 1 V2000 -2.3167 2.1917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5042 1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 1.2708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.5333 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7167 2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5375 0.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0542 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5750 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0958 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6125 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6125 -0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0958 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5750 -0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 1.6208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0250 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5458 1.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 2.2208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 0.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0375 3.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5542 3.8958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2542 4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8542 3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 4.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0375 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5542 2.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 9 2 0 0 0 0 15 4 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 16 19 1 6 0 0 0 19 26 1 0 0 0 0 17 20 2 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 3 6 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 26 27 2 0 0 0 0 21 26 1 0 0 0 0 G 26 19 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 21 22 23 24 25 26 27 M SBL 1 1 15 M SMT 1 Boc M SBV 1 15 0.5400 -0.7700 M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > MFCD00043133 > F > 14968 > - > - > - > - $$$$ 30 30 0 0 1 0 0 0 0 0 1 V2000 -0.5779 1.5074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8339 0.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1671 0.2373 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5010 0.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2471 1.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1683 -0.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8810 -0.9947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5922 -0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3049 -0.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0194 -0.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7339 -0.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7339 -1.8172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0194 -2.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3049 -1.8172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2155 0.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9299 0.7213 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6444 0.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3589 0.7213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9299 1.5463 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6444 -0.5162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8387 3.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1268 3.4197 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5378 4.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2843 2.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5852 3.8307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8387 2.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1268 1.7754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 -2.6692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3725 -2.2567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0869 -2.6692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 9 1 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 13 14 1 0 0 0 0 14 9 2 0 0 0 0 15 4 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 16 19 1 6 0 0 0 17 20 2 0 0 0 0 19 26 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 26 27 2 0 0 0 0 21 26 1 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 29 28 1 0 0 0 0 30 29 1 0 0 0 0 G 26 19 ^Boc G 28 0 • H2O M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 7 21 22 23 24 25 26 27 M SBL 1 1 14 M SMT 1 ^Boc M SBV 1 14 1.0900 -0.6400 M SAL 2 3 28 29 30 M SMT 2 • H2O M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > MFCD00150677 > F > 15391 > - > - > - > - $$$$ 30 31 0 0 1 0 0 0 0 0 1 V2000 5.8292 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4583 -7.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 -6.3417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9708 -5.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -7.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2833 -7.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8708 -8.2750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.2000 -7.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -7.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2333 -4.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 -7.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3083 -6.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -7.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1750 -6.4417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5867 -7.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6300 -5.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0417 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8721 -9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1553 -9.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1561 -10.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8717 -10.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 -10.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5836 -9.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2960 -9.0902 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8741 -11.5721 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.0150 -9.4975 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2943 -8.2636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1597 -11.9881 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5887 -11.9841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 9 1 0 0 0 0 15 16 1 0 0 0 0 2 6 1 0 0 0 0 15 17 1 0 0 0 0 3 4 1 6 0 0 0 15 18 1 0 0 0 0 4 1 1 0 0 0 0 8 19 1 0 0 0 0 5 3 1 0 0 0 0 19 20 2 0 0 0 0 6 7 1 0 0 0 0 20 21 1 0 0 0 0 7 3 1 0 0 0 0 21 22 2 0 0 0 0 8 10 1 0 0 0 0 22 23 1 0 0 0 0 9 2 2 0 0 0 0 23 24 2 0 0 0 0 24 19 1 0 0 0 0 10 6 2 0 0 0 0 24 25 1 0 0 0 0 11 1 2 0 0 0 0 22 26 1 0 0 0 0 12 5 2 0 0 0 0 13 1 1 0 0 0 0 25 27 1 0 0 0 0 25 28 2 0 0 0 0 14 5 1 0 0 0 0 15 13 1 0 0 0 0 26 29 1 0 0 0 0 26 30 2 0 0 0 0 M CHG 4 25 1 26 1 27 -1 29 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > MFCD00065966 > F > 15287 > - > - > - > - $$$$ 37 41 0 0 1 0 0 0 0 0 1 V2000 7.7075 -7.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1950 -6.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8575 -5.8261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3450 -5.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0075 -4.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1660 -5.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0345 -5.7409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8839 -7.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6332 -8.0347 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2897 -8.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9596 -8.0369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8451 -8.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6676 -9.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8794 -9.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7061 -10.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9225 -10.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7491 -11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3581 -11.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1434 -11.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3131 -10.6957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7592 -9.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5635 -9.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9746 -8.8835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4244 -8.2725 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6733 -8.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9221 -8.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2570 -8.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3429 -9.5735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0940 -9.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9746 -10.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7968 -10.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2079 -9.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7968 -8.8835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5954 -7.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3774 -7.2141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5483 -6.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9373 -5.8597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17 18 2 0 0 0 0 4 5 2 0 0 0 0 18 19 1 0 0 0 0 4 6 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 3 7 1 6 0 0 0 1 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 1 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 7 36 1 0 0 0 0 1 2 1 0 0 0 0 15 16 2 0 0 0 0 2 3 1 0 0 0 0 16 17 1 0 0 0 0 3 4 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 21 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 23 33 1 0 0 0 0 24 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 G 36 7 Fmoc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 M SAL 1 2 36 37 M SBL 1 1 17 M SMT 1 Fmoc M SBV 1 17 0.4900 0.6700 M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > MFCD00077059 > F > 47446 > - > - > - > - $$$$ 31 33 0 0 1 0 0 0 0 0 1 V2000 5.6250 -5.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2541 -6.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -5.9875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7666 -5.2958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -6.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0791 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 -5.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6666 -7.9208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.9958 -7.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -7.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0291 -4.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -7.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1041 -6.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -6.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9708 -6.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3825 -6.8505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9255 -7.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3364 -8.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2040 -8.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6590 -7.6326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2454 -6.8731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6625 -8.7417 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.3750 -9.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3749 -9.9723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0865 -10.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7974 -9.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7921 -9.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0799 -8.7376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5137 -10.3769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 -8.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4458 -9.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 9 1 0 0 0 0 15 16 1 0 0 0 0 2 6 1 0 0 0 0 16 17 2 0 0 0 0 3 4 1 6 0 0 0 17 18 1 0 0 0 0 4 1 1 0 0 0 0 18 19 2 0 0 0 0 5 3 1 0 0 0 0 19 20 1 0 0 0 0 6 7 1 0 0 0 0 20 21 2 0 0 0 0 21 16 1 0 0 0 0 8 22 1 0 0 0 0 7 3 1 0 0 0 0 22 23 1 0 0 0 0 8 10 1 0 0 0 0 23 24 2 0 0 0 0 9 2 2 0 0 0 0 24 25 1 0 0 0 0 10 6 2 0 0 0 0 25 26 2 0 0 0 0 11 1 2 0 0 0 0 26 27 1 0 0 0 0 12 5 2 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 13 1 1 0 0 0 0 26 29 1 0 0 0 0 14 5 1 0 0 0 0 22 30 2 0 0 0 0 15 13 1 0 0 0 0 22 31 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > MFCD00065967 > F > 15559 > - > - > - > - $$$$ 43 45 0 0 1 0 0 0 0 0 1 V2000 3.6125 -4.2500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.2708 -3.5000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.0167 -4.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -2.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 -2.1708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3708 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -5.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8375 -4.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 -0.8708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -1.2792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3625 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -4.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3458 -3.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0083 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4917 -0.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -2.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3583 -0.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -6.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -0.1583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2042 -1.2958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0792 -1.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1417 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2500 -4.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9208 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -2.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6167 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -7.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8583 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5708 0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8625 1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0083 1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5750 1.0667 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 2 1 0 0 0 0 6 5 2 0 0 0 0 7 4 2 0 0 0 0 8 11 1 0 0 0 0 9 3 2 0 0 0 0 10 3 1 0 0 0 0 12 11 1 6 0 0 0 12 14 1 0 0 0 0 13 12 1 0 0 0 0 14 7 1 0 0 0 0 15 1 2 0 0 0 0 16 1 2 0 0 0 0 17 9 1 0 0 0 0 18 10 2 0 0 0 0 19 8 1 0 0 0 0 20 8 2 0 0 0 0 21 13 2 0 0 0 0 22 18 1 0 0 0 0 24 19 1 0 0 0 0 25 13 1 0 0 0 0 26 23 1 0 0 0 0 27 23 1 0 0 0 0 28 10 1 0 0 0 0 29 9 1 0 0 0 0 30 24 1 0 0 0 0 31 24 1 0 0 0 0 32 24 1 0 0 0 0 33 22 1 0 0 0 0 34 26 1 0 0 0 0 35 26 1 0 0 0 0 36 27 1 0 0 0 0 37 27 1 0 0 0 0 38 35 1 0 0 0 0 39 36 1 0 0 0 0 40 37 1 0 0 0 0 41 34 1 0 0 0 0 42 38 1 0 0 0 0 43 40 1 0 0 0 0 7 6 1 0 0 0 0 22 17 2 0 0 0 0 43 39 1 0 0 0 0 42 41 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > MFCD00058563 > F > 15546 > - > - > - > - $$$$ 35 39 0 0 1 0 0 0 0 0 1 V2000 6.3981 -3.7099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8106 -2.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.2803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8106 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.8508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6358 -1.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4043 -1.9201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5787 -3.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4155 -4.6181 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1344 -5.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7419 -4.4661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6648 -4.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9916 -4.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0860 -3.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4215 -3.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6623 -3.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5649 -4.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2265 -4.8213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9165 -5.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7207 -5.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1319 -4.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5817 -4.2975 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8305 -4.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0794 -4.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4142 -4.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5002 -5.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2513 -5.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1319 -6.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9541 -6.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3652 -5.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9541 -4.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7526 -3.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5346 -3.2391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7056 -2.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0945 -1.8847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 13 18 1 0 0 0 0 7 34 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 4 5 2 0 0 0 0 4 6 1 0 0 0 0 3 7 1 6 0 0 0 1 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 1 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 19 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 21 31 1 0 0 0 0 22 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 G 34 7 Fmoc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 M SAL 1 2 34 35 M SBL 1 1 4 M SMT 1 Fmoc M SBV 1 4 0.7000 0.5200 M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > MFCD00038537 > F > 47591 > - > - > - > - $$$$ 13 11 0 0 0 0 0 0 0 0 1 V2000 -0.7898 0.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7898 -0.5483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0753 0.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0753 1.5142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6391 0.2767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5042 0.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2187 0.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0436 0.2663 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2887 -0.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6153 -0.9980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 -0.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2887 -1.5142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1395 1.1382 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 3 4 2 0 0 0 3 5 1 0 0 0 1 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 7 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > MFCD00151028 > F > 53390 > - > - > - > - $$$$ 16 14 0 0 1 0 0 0 0 0 1 V2000 4.6042 -6.2667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -6.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0125 -7.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 -7.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -5.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6792 -7.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -6.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -4.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5667 -5.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6917 -6.4292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -7.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 -8.0167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8667 -6.4292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 -8.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 1 0 0 0 0 4 2 1 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 7 4 1 0 0 0 0 8 2 2 0 0 0 0 9 3 2 0 0 0 0 7 10 1 6 0 0 0 11 3 1 0 0 0 0 14 13 1 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 5 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > MFCD00151027 > 1 > H4036 > - > - > - > - $$$$ 11 11 0 0 1 0 0 0 0 0 1 V2000 -0.1745 0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 0.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2544 0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9689 0.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2544 1.2521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -0.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 0.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 0.0175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9689 -0.7672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3015 -1.2521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 -0.7672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 3 5 2 0 0 0 2 6 1 6 0 0 1 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 7 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > MFCD00065963 > F > 53321 > S > H3751 > - > - $$$$ 18 18 0 0 1 0 0 0 0 0 1 V2000 8.1792 -6.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -7.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3583 -6.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8708 -6.7208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2083 -7.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5625 -7.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 -6.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1583 -8.5708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -8.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6667 -5.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 -8.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5167 -6.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7208 -8.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 -5.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0292 -7.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3125 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4000 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5750 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 6 0 0 0 5 4 1 0 0 0 0 6 7 1 0 0 0 0 7 4 1 0 0 0 0 8 11 1 0 0 0 0 9 2 2 0 0 0 0 10 1 1 0 0 0 0 11 6 2 0 0 0 0 12 1 2 0 0 0 0 13 5 2 0 0 0 0 14 10 1 0 0 0 0 15 5 1 0 0 0 0 16 14 1 0 0 0 0 17 14 1 0 0 0 0 18 14 1 0 0 0 0 8 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > MFCD00065576 > A > 408433 > F > 15426 > - > - $$$$ 21 22 0 0 1 0 0 0 0 0 1 V2000 5.8292 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4583 -7.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 -6.3417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9708 -5.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -7.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2833 -7.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8708 -8.2750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 -7.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -7.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2333 -4.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 -7.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3083 -6.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -7.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1750 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5867 -7.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1297 -7.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5406 -8.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4082 -8.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8632 -7.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4496 -7.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7 3 1 0 0 0 0 8 10 1 0 0 0 0 9 2 2 0 0 0 0 10 6 2 0 0 0 0 11 1 2 0 0 0 0 12 5 2 0 0 0 0 13 1 1 0 0 0 0 14 5 1 0 0 0 0 15 13 1 0 0 0 0 8 9 1 0 0 0 0 15 16 1 0 0 0 0 2 6 1 0 0 0 0 16 17 2 0 0 0 0 3 4 1 6 0 0 0 17 18 1 0 0 0 0 4 1 1 0 0 0 0 18 19 2 0 0 0 0 5 3 1 0 0 0 0 19 20 1 0 0 0 0 6 7 1 0 0 0 0 20 21 2 0 0 0 0 21 16 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16253299 > MFCD00065960 > A > 408549 > F > 96290 > - > - $$$$