17 15 0 0 0 0 0 0 0 0 1 V2000 -1.9931 -0.6166 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9931 0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8181 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9931 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1681 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2292 -1.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7051 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7570 0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7051 1.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0651 0.0954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0513 -1.3286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7200 0.0709 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 0.0709 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7200 0.8959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7200 -0.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3393 0.1267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0513 -0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 3 6 1 0 0 0 2 7 1 0 0 0 5 8 1 0 0 0 7 9 1 0 0 0 8 10 1 0 0 0 6 11 1 0 0 0 12 13 1 0 0 0 12 14 2 0 0 0 12 15 2 0 0 0 12 16 1 0 0 0 16 17 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 16 17 M SBL 1 1 14 M SMT 1 OCH3 M SBV 1 14 -5.8336 2.6962 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD08064287 > F > 91198 > - > - > - > - $$$$ 36 35 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.4829 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0398 -0.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1100 1.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3980 1.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 1.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 1.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 1.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 1.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1619 1.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8739 1.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9839 -0.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2719 -0.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5600 -0.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 -0.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 -0.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -0.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -1.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1360 -1.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 -1.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5600 -1.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2719 -1.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9839 -1.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7144 -0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7144 -1.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4289 -1.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1434 -1.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1434 -0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4289 -0.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8554 -0.0461 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4289 0.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1409 -0.0446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7169 -0.0446 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 10 1 0 0 0 3 4 1 0 0 0 4 5 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 10 1 0 0 0 1 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 1 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 27 28 2 0 0 0 28 29 1 0 0 0 29 30 2 0 0 0 30 31 1 0 0 0 31 32 2 0 0 0 32 27 1 0 0 0 31 33 1 0 0 0 32 34 1 0 0 0 34 35 2 0 0 0 34 36 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 8 3 4 5 6 7 8 9 10 M SBL 1 1 2 M SMT 1 ^(CH2)7CH3 M SBV 1 2 -10.2099 9.2443 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 8 11 12 13 14 15 16 17 18 M SBL 2 1 10 M SMT 2 (CH2)7CH3 M SBV 2 10 -7.0999 7.3703 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 8 19 20 21 22 23 24 25 26 M SBL 3 1 18 M SMT 3 (CH2)7CH3 M SBV 3 18 -12.0839 6.0512 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 3 34 35 36 M SBL 4 1 33 M SMT 4 CO2– M SBV 4 33 -12.0839 7.3703 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD07784443 > F > 08354 > - > - > - > - $$$$ 41 39 0 0 0 0 0 0 0 0 1 V2000 1.0349 -1.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8599 -1.8020 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 7.8532 -1.9338 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 8.2657 -2.6483 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 8.2657 -1.2193 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 7.4407 -1.2193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0907 -1.2193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0907 -2.6483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4407 -2.6483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7732 -1.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0612 -2.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3492 -1.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6372 -2.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0748 -1.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7867 -2.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4987 -1.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2107 -2.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8355 -0.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1235 -0.7270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4115 -0.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3005 -0.7270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 -0.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7244 -0.7270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4364 -0.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1484 -0.7270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8599 -2.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1479 -3.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4359 -2.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2761 -3.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9881 -2.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7001 -3.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4121 -2.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1176 -3.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2657 -0.3972 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0878 -0.3972 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.2657 -1.2193 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.4435 -0.3972 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.2657 -3.4733 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0878 -3.4733 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.2657 -4.2954 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.4435 -3.4733 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4 8 2 0 0 0 0 4 9 2 0 0 0 0 5 34 1 0 0 0 0 4 38 1 0 0 0 0 1 2 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 2 10 1 0 0 0 0 2 18 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 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 12 13 1 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 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 16 17 1 0 0 0 0 5 6 2 0 0 0 0 5 7 2 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 41 1 0 0 0 0 G 10 2 CH2(CH2)6CH3 G 18 2 CH2(CH2)6CH3 G 34 5 CF3 G 26 2 CH2(CH2)6CH3 G 38 4 CF3 M CHG 2 2 1 3 -1 M STY 5 1 SUP 2 SUP 3 SUP 4 SUP 5 SUP M SLB 5 1 1 2 2 3 3 4 4 5 5 M SAL 1 8 10 11 12 13 14 15 16 17 M SBL 1 1 13 M SMT 1 CH2(CH2)6CH3 M SBV 1 13 -0.9200 0.0100 M SAL 2 8 18 19 20 21 22 23 24 25 M SBL 2 1 14 M SMT 2 CH2(CH2)6CH3 M SBV 2 14 0.0200 -1.4900 M SAL 3 4 34 35 36 37 M SBL 3 1 3 M SMT 3 CF3 M SBV 3 3 0.0000 -0.8200 M SAL 4 8 26 27 28 29 30 31 32 33 M SBL 4 1 15 M SMT 4 CH2(CH2)6CH3 M SBV 4 15 0.0000 0.8200 M SAL 5 4 38 39 40 41 M SBL 5 1 4 M SMT 5 CF3 M SBV 5 4 0.0000 0.8300 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD08275364 > F > 00797 > - > - > - > - $$$$ 20 18 0 0 0 0 0 0 0 0 1 V2000 -1.6695 -0.0806 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5867 -0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4789 0.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1909 0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9029 0.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6149 0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5579 1.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8459 0.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1339 1.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5781 0.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0377 -0.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3257 -1.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6137 -0.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9017 -1.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4586 -0.0806 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2836 -0.0806 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2836 0.7416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2836 -0.9027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9029 -0.0248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6149 -0.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 6 1 0 3 4 1 0 4 5 1 0 5 6 1 0 1 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 1 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 15 16 1 0 16 17 2 0 16 18 2 0 16 19 1 0 19 20 1 0 M CHG 2 1 1 15 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 3 4 5 6 M SBL 1 1 2 M SMT 1 (CH2)3CH3 M SBV 1 2 -12.4321 7.6790 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 7 8 9 10 M SBL 2 1 6 M SMT 2 (CH2)3CH3 M SBV 2 6 -10.3751 8.3929 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 11 12 13 14 M SBL 3 1 10 M SMT 3 (CH2)3CH3 M SBV 3 10 -11.8549 6.1119 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 19 20 M SBL 4 1 17 M SMT 4 OCH3 M SBV 4 17 -9.8674 7.0221 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD06798174 > F > 38938 > - > - > - > - $$$$ 30 28 0 0 0 0 0 0 0 0 1 V2000 -1.5220 -0.2843 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6310 -0.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1410 0.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1609 0.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6710 -0.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6910 -0.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2009 -1.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 1.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2448 1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1278 1.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0108 1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8948 1.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 -1.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 -1.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2448 -1.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1278 -1.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0108 -1.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8948 -1.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 -0.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0078 0.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0278 0.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5378 -0.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 -0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8548 0.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8278 -1.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3178 -0.3314 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4348 -0.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8078 0.5515 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.2009 0.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 14 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 27 30 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD00037675 > F > 87303 > - > - > - > - $$$$ 31 28 0 0 0 0 0 0 0 0 1 V2000 1.4393 -4.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9469 -4.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5991 -4.7068 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 2.5991 -5.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1652 -4.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9318 -4.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4242 -4.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4242 -5.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9318 -5.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4393 -5.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9232 -3.9403 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1.3418 -6.7293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8615 -6.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3794 -6.7282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4043 -6.1354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9240 -5.8354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4419 -6.1344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0137 -4.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4483 -4.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0343 -4.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4688 -4.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0549 -3.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4894 -3.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0755 -3.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 -3.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9039 -3.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4694 -3.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8834 -2.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4488 -3.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8628 -2.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4283 -2.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 18 1 0 0 0 0 3 4 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 3 5 1 0 0 0 0 1 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 1 1 0 0 0 0 3 2 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 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 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 G 18 3 CH2(CH2)12CH3 M CHG 2 3 1 11 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 14 18 19 20 21 22 23 24 25 26 27 28 29 30 31 M SBL 1 1 2 M SMT 1 CH2(CH2)12CH3 M SBV 1 2 -0.4200 -0.4100 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD00149985 > F > 13403 > - > - > - > - $$$$ 31 29 0 0 0 0 0 0 0 0 1 V2000 5.6042 -3.7750 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.7792 -3.7750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.6042 -2.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -4.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -1.3542 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 6.4292 -3.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5292 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 -5.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -3.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2417 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1583 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 -6.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 5 1 0 0 0 0 9 5 1 0 0 0 0 10 5 1 0 0 0 0 11 9 1 0 0 0 0 12 8 1 0 0 0 0 13 7 1 0 0 0 0 14 17 1 0 0 0 0 15 19 1 0 0 0 0 16 18 1 0 0 0 0 17 24 1 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 20 28 1 0 0 0 0 21 26 1 0 0 0 0 22 21 1 0 0 0 0 23 12 1 0 0 0 0 24 25 1 0 0 0 0 25 23 1 0 0 0 0 26 11 1 0 0 0 0 27 13 1 0 0 0 0 28 27 1 0 0 0 0 29 15 1 0 0 0 0 30 14 1 0 0 0 0 31 16 1 0 0 0 0 M CHG 2 2 -1 5 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD03095545 > F > 02382 > - > - > - > - $$$$ 24 23 0 0 0 0 0 0 0 0 1 V2000 -2.3092 -0.0011 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7336 0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3584 0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4413 0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7181 -0.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9269 -0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3379 -0.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4533 -0.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8754 0.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6751 0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2507 0.9566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0503 0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8982 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6978 -0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2734 -0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0730 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2112 0.7866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0362 0.7866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9563 0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6237 -0.4830 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 4.2911 0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1744 -0.2521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0730 -0.2521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 1 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 1 10 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 14 1 1 0 0 0 18 19 1 0 0 0 18 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 19 1 0 0 0 20 23 2 0 0 0 22 24 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD00210091 > F > 86841 > - > - > - > - $$$$ 30 28 0 0 0 0 0 0 0 0 1 V2000 0.0113 -0.2408 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3110 -0.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 -0.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0113 1.8017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3053 0.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2172 -0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2002 -0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9172 2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2114 0.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1229 -0.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1060 -0.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8233 1.8017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1173 0.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0289 -0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0120 -0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0233 0.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9409 -0.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9237 -0.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6350 1.8017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9295 0.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8466 -0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8297 -0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5467 2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8353 0.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1465 -1.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1296 -1.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8466 1.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1465 0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1894 -2.3250 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 25 29 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD00041983 > A > 87292 > - > - > - > - $$$$ 10 4 0 0 0 0 0 0 0 0 1 V2000 -1.5125 -0.1234 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5125 0.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 -0.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3375 -0.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6875 -0.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3038 -1.3609 0.0000 F 0 5 0 0 0 0 0 0 0 0 0 0 2.1656 1.4395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -0.4082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9508 -1.4395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0367 0.4512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD00149968 > F > 87723 > - > - > - > - $$$$ 48 16 0 0 0 0 0 0 0 0 1 V2000 -3.5664 2.6880 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.9908 3.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1911 3.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6156 3.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8159 3.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9753 2.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1841 2.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5951 1.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8038 1.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1326 3.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9323 3.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5078 3.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3075 3.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1553 2.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9550 2.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5305 1.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3302 1.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0177 2.7108 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3224 -0.2297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8886 -0.4014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3224 -1.0461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7404 -0.2297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7404 -1.0461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2443 -0.1008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2443 -0.9172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3654 -1.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3654 -2.6360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7833 -1.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7833 -2.6360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2872 -1.6906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2872 -2.5070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4083 -3.4953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8263 -3.4953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3302 -3.3664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9315 -1.2180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4864 -0.4016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4864 -1.2180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9904 -0.2727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9904 -1.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8886 -1.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8886 -2.8078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5294 -1.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5294 -2.8078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0333 -1.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0333 -2.6789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8456 -3.6672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5724 -3.6672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0763 -3.5383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 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 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 1 10 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 14 1 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD00149573 > F > 86866 > - > - > - > - $$$$ 22 20 0 0 0 0 0 0 0 0 1 V2000 -1.8680 -0.0011 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2924 0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4928 0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0828 0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8825 0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2769 -0.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4857 -0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1033 -0.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8945 -0.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4342 0.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2339 0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8095 0.9566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6091 0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4570 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2566 -0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8322 -0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6318 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2029 -0.2604 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9174 0.1521 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -0.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9174 0.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9174 -0.6729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 1 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 1 10 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 14 1 1 0 0 0 19 18 1 0 0 0 20 19 1 0 0 0 19 21 2 0 0 0 19 22 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD00043226 > F > 86877 > - > - > - > - $$$$ 20 18 0 0 0 0 0 0 0 0 1 V2000 -1.3488 -0.0011 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7732 0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0264 0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4017 0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7577 -0.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0335 -0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6225 -0.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4137 -0.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9150 0.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7147 0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2903 0.9566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0899 0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9378 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7374 -0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3130 -0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1126 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3982 -0.3736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1126 -0.7861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3982 0.4485 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 1 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 1 10 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 14 1 1 0 0 0 18 19 2 0 0 0 18 20 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD00043223 > F > 86884 > - > - > - > - $$$$ 20 18 0 0 0 0 0 0 0 0 1 V2000 -2.0744 -0.0011 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4988 0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6991 0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1236 0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6761 0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 -0.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6921 -0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1031 -0.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6882 -0.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6406 0.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4403 0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0158 0.9566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8155 0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6633 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4630 -0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0385 -0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8382 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1882 -0.2017 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 4.0132 -0.2017 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 4.8382 -0.2017 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 1 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 1 10 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 14 1 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD00059123 > F > 86918 > - > - > - > - $$$$ 57 55 0 0 0 0 0 0 0 0 1 V2000 0.1625 -4.3875 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 13.5083 -4.3042 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 1.7417 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1625 -2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3083 -8.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1125 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1167 6.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.7417 -15.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5875 15.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5833 6.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.2083 -15.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5875 14.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9583 -6.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8542 2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0958 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7208 -8.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8542 4.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6292 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2542 -8.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1917 4.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3958 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0542 -9.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1917 6.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5875 -9.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5250 7.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6958 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3542 -10.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5250 8.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2292 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8375 -10.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8625 9.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9958 3.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6542 -12.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8625 10.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5125 3.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1375 -12.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2000 11.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3292 5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9542 -13.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2000 13.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7667 5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4875 -13.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1125 -0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6583 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5167 0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7958 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4708 -6.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5167 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5375 8.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.5375 -16.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8917 16.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 13 46 1 0 0 0 0 14 47 1 0 0 0 0 15 45 1 0 0 0 0 16 52 1 0 0 0 0 17 53 1 0 0 0 0 18 54 1 0 0 0 0 19 16 1 0 0 0 0 20 17 1 0 0 0 0 21 18 1 0 0 0 0 22 19 1 0 0 0 0 23 20 1 0 0 0 0 24 21 1 0 0 0 0 25 22 1 0 0 0 0 26 23 1 0 0 0 0 27 24 1 0 0 0 0 28 25 1 0 0 0 0 29 26 1 0 0 0 0 30 27 1 0 0 0 0 31 28 1 0 0 0 0 32 29 1 0 0 0 0 33 30 1 0 0 0 0 34 31 1 0 0 0 0 35 32 1 0 0 0 0 36 33 1 0 0 0 0 37 34 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 38 1 0 0 0 0 42 39 1 0 0 0 0 43 40 1 0 0 0 0 44 41 1 0 0 0 0 45 42 1 0 0 0 0 46 43 1 0 0 0 0 47 44 1 0 0 0 0 48 9 1 0 0 0 0 49 7 1 0 0 0 0 50 8 1 0 0 0 0 51 48 1 0 0 0 0 52 49 1 0 0 0 0 53 50 1 0 0 0 0 54 51 1 0 0 0 0 55 10 1 0 0 0 0 56 11 1 0 0 0 0 57 12 1 0 0 0 0 M CHG 2 1 1 2 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD00077823 > F > 69486 > - > - > - > - $$$$ 66 64 0 0 0 0 0 0 0 0 1 V2000 -1.6952 -2.3947 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.2243 -2.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7043 -1.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6643 -1.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1444 -0.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1043 -0.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5843 0.0978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5443 0.0978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0243 0.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9843 0.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4643 1.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4243 1.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9043 2.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8643 2.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3443 3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3043 3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7843 4.2547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7352 -2.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0955 -1.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9274 -2.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7584 -1.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5904 -2.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4214 -1.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2524 -2.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0844 -1.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9155 -2.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7464 -1.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5784 -2.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4093 -1.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2414 -2.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0724 -1.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9033 -2.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7355 -1.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6952 -3.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8643 -4.2547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0322 -3.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7984 -4.2547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6304 -3.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4614 -4.2547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2924 -3.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1244 -4.2547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9554 -3.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7864 -4.2547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6184 -3.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4493 -4.2547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2814 -3.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1124 -4.2547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9434 -3.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7755 -4.2547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6943 -1.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0343 -0.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0745 -0.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8243 0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7843 0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2643 1.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2243 1.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7043 1.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6643 1.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1443 2.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1044 2.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5844 3.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5443 3.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0243 2.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9843 2.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4644 1.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7843 -2.1247 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 34 1 0 0 0 0 1 50 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 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 1 0 0 0 0 11 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 15 16 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 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 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 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 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD00075496 > F > 87298 > - > - > - > - $$$$ 15 13 0 0 0 0 0 0 0 0 1 V2000 0.0000 1.3476 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.2975 2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2975 2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6904 0.3702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2016 1.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2016 1.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9041 -1.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1116 2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1117 2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8083 -0.6914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4092 1.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4092 1.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1116 -1.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8709 -2.1002 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD00011847 > F > 70444 > - > - > - > - $$$$ 15 14 0 0 0 0 0 0 0 0 1 V2000 -2.0466 0.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2216 0.0945 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2245 0.0945 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2216 0.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2216 -0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7151 0.0945 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 -0.2245 0.9195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2245 -0.7305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1276 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7151 -1.3322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9349 1.3322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4591 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9349 -1.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7471 -0.5630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4591 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 3 6 1 0 3 7 2 0 3 8 2 0 6 9 1 0 9 10 2 0 4 11 1 0 1 12 1 0 5 13 1 0 9 14 1 0 14 15 1 0 M CHG 2 2 1 6 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 14 15 M SBL 1 1 13 M SMT 1 OCH3 M SBV 1 13 -9.6208 8.7450 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD00077815 > F > 64942 > - > - > - > - $$$$ 20 18 0 0 0 0 0 0 0 0 1 V2000 -1.3174 -0.0011 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7418 0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0578 0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6334 0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4330 0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7263 -0.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0649 -0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6539 -0.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4451 -0.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8837 0.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6833 0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2589 0.9566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0585 0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9064 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7060 -0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2816 -0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0812 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6687 0.6087 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.0812 -0.1058 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 3.4979 -0.6891 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 1 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 1 10 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 14 1 1 0 0 0 19 18 1 0 0 0 20 19 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD00012110 > F > 86902 > - > - > - > - $$$$ 50 48 0 0 0 0 0 0 0 0 1 V2000 0.0375 6.2208 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 11.3833 -0.9542 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 -0.9333 5.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 5.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 7.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4292 5.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 3.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6625 6.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5667 6.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4958 0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -7.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3625 9.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4125 8.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5167 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -6.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1958 8.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1542 7.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9333 3.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5083 7.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8542 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4250 3.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9833 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9167 7.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0833 7.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4542 2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1208 8.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5167 7.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9625 2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 -4.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5667 7.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7500 8.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9583 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 -5.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7500 8.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8208 7.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4333 4.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7708 2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 7.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2042 6.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9667 4.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 7.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4833 7.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0167 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9333 -9.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8333 8.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8333 7.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 18 34 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 23 19 1 0 0 0 0 24 20 1 0 0 0 0 25 21 1 0 0 0 0 26 22 1 0 0 0 0 27 23 1 0 0 0 0 28 24 1 0 0 0 0 29 25 1 0 0 0 0 30 26 1 0 0 0 0 31 27 1 0 0 0 0 32 28 1 0 0 0 0 33 29 1 0 0 0 0 34 30 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 10 1 0 0 0 0 39 7 1 0 0 0 0 40 8 1 0 0 0 0 41 9 1 0 0 0 0 42 38 1 0 0 0 0 43 39 1 0 0 0 0 44 40 1 0 0 0 0 45 41 1 0 0 0 0 46 42 1 0 0 0 0 47 11 1 0 0 0 0 48 12 1 0 0 0 0 49 13 1 0 0 0 0 50 14 1 0 0 0 0 M CHG 2 1 1 2 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD00043168 > F > 87249 > - > - > - > - $$$$ 26 24 0 0 0 0 0 0 0 0 1 V2000 0.0000 2.1596 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.2975 2.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2975 2.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3028 1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2016 2.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2016 2.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9041 -0.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3028 -0.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1116 2.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1117 2.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8085 0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2071 -1.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0158 2.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0158 2.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7183 -0.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1117 -0.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9203 2.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9204 2.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6228 0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0158 -1.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2178 2.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2178 2.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9203 -0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3303 -0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1509 -2.9123 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD00011858 > F > 87302 > - > - > - > - $$$$ 26 24 0 0 0 0 0 0 0 0 1 V2000 -0.1750 0.1750 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 4.2208 6.4042 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 -1.1750 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3917 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6958 -0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4583 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 2.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2292 -2.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1583 -6.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 6.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2125 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0958 -4.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1208 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1875 5.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7167 -1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5208 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4125 3.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7583 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 -7.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7583 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2042 7.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 19 7 1 0 0 0 0 20 8 1 0 0 0 0 21 9 1 0 0 0 0 22 10 1 0 0 0 0 23 11 1 0 0 0 0 24 12 1 0 0 0 0 25 13 1 0 0 0 0 26 14 1 0 0 0 0 M CHG 2 1 1 2 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD00041981 > F > 87307 > - > - > - > - $$$$ 16 14 0 0 0 0 0 0 0 0 1 V2000 -2.4528 0.0003 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.4128 0.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9068 0.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4528 -0.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 -1.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4528 0.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 1.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4328 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9381 0.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9168 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9168 0.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9068 0.0003 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.9569 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9569 0.9893 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9678 0.0003 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9569 -0.9895 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 2 3 1 0 0 0 0 4 5 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 10 12 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD00192470 > F > 86647 > - > - > - > - $$$$ 24 23 0 0 0 0 0 0 0 0 1 V2000 -1.6925 -0.1245 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1170 0.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3173 0.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2583 0.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0579 0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1015 -0.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3102 -0.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2788 -1.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -0.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2588 0.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0584 0.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6340 0.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4337 0.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2815 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0812 -0.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6567 -1.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4564 -0.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0274 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0274 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7419 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4564 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4564 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7419 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7419 1.2361 0.0000 S 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 1 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 1 10 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 14 1 1 0 0 0 18 19 2 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 23 18 1 0 0 0 23 24 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD00270142 > F > 86908 > - > - > - > - $$$$ 26 25 0 0 0 0 0 0 0 0 1 V2000 -1.6710 -0.0723 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0955 0.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 0.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2797 0.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0794 0.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0800 -0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2888 -0.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3003 -0.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0915 -0.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2373 0.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0370 0.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6125 0.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4122 0.6825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2600 -0.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0597 -0.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6352 -1.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4349 -0.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0060 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0060 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7204 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4349 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4349 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7204 0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7204 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4324 1.4416 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0084 1.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 1 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 1 10 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 14 1 1 0 0 0 18 19 2 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 23 18 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 24 26 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD00171701 > F > 86837 > - > - > - > - $$$$ 32 30 0 0 0 0 0 0 0 0 1 V2000 -3.0974 -0.0071 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5219 0.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7222 0.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1467 0.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5064 -0.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7151 -0.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1261 -0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3349 -0.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6637 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4634 0.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0389 0.9507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8386 0.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6864 -0.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4861 -0.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0616 -0.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8613 -0.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3093 0.1619 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0238 -0.2506 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 4.7382 0.1619 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3093 0.9840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3093 -0.6631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7382 0.9840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7382 -0.6631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5948 -0.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0059 -0.9626 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8828 -0.6617 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1837 0.4614 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4502 -0.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0391 -0.9626 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7382 0.1604 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8613 0.4614 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 1 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 1 10 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 14 1 1 0 0 0 19 18 1 0 0 0 20 19 1 0 0 0 18 21 2 0 0 0 18 22 2 0 0 0 20 23 2 0 0 0 20 24 2 0 0 0 18 25 1 0 0 0 25 26 1 0 0 0 25 27 1 0 0 0 25 28 1 0 0 0 20 29 1 0 0 0 29 30 1 0 0 0 29 31 1 0 0 0 29 32 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 25 26 27 28 M SBL 1 1 23 M SMT 1 ^CF3 M SBV 1 23 -9.0337 4.1924 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 29 30 31 32 M SBL 2 1 27 M SMT 2 CF3 M SBV 2 27 -7.6073 4.1924 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD01863113 > F > 86838 > - > - > - > - $$$$ 50 48 0 0 0 0 0 0 0 0 1 V2000 8.7125 5.8583 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 10.1042 5.8542 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 8.5042 6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0167 5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8542 5.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4125 6.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8042 6.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5542 5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5792 6.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7417 10.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3417 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 10.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 10.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1417 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0500 10.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4417 7.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2708 6.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 3.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9750 4.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 8.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 9.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 9.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 10.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1500 4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 8.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9125 7.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 7.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3167 8.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0042 8.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1792 9.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8750 9.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7542 4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4542 4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6542 3.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3542 3.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5500 2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2500 2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4417 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 3.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4167 2.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1375 7.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9167 11.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0417 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 11.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 18 1 0 0 0 0 12 17 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 15 26 1 0 0 0 0 16 43 1 0 0 0 0 17 36 1 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 20 10 1 0 0 0 0 21 22 1 0 0 0 0 22 27 1 0 0 0 0 23 29 1 0 0 0 0 24 23 1 0 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 27 7 1 0 0 0 0 28 45 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 8 1 0 0 0 0 32 28 1 0 0 0 0 33 46 1 0 0 0 0 34 33 1 0 0 0 0 35 34 1 0 0 0 0 36 35 1 0 0 0 0 37 9 1 0 0 0 0 38 37 1 0 0 0 0 39 38 1 0 0 0 0 40 39 1 0 0 0 0 41 40 1 0 0 0 0 42 41 1 0 0 0 0 43 42 1 0 0 0 0 44 21 1 0 0 0 0 45 44 1 0 0 0 0 46 19 1 0 0 0 0 47 12 1 0 0 0 0 48 11 1 0 0 0 0 49 13 1 0 0 0 0 50 14 1 0 0 0 0 M CHG 2 1 1 2 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD00216748 > F > 87250 > - > - > - > - $$$$ 24 22 0 0 0 0 0 0 0 0 1 V2000 2.6167 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 0.4083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 0.3958 0.0000 S 0 5 0 0 0 0 0 0 0 0 0 0 -0.1458 0.3750 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 0.1375 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9083 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1375 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6750 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3875 2.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 2.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4083 2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 3 0 0 0 0 3 1 1 0 0 0 0 5 4 1 0 0 0 0 6 4 1 0 0 0 0 7 4 1 0 0 0 0 8 4 1 0 0 0 0 9 8 1 0 0 0 0 10 6 1 0 0 0 0 11 7 1 0 0 0 0 12 5 1 0 0 0 0 13 18 1 0 0 0 0 14 17 1 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 17 10 1 0 0 0 0 18 9 1 0 0 0 0 19 11 1 0 0 0 0 20 12 1 0 0 0 0 21 16 1 0 0 0 0 22 14 1 0 0 0 0 23 13 1 0 0 0 0 24 15 1 0 0 0 0 M CHG 2 3 -1 4 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD00210106 > F > 88009 > - > - > - > - $$$$ 30 28 0 0 0 0 0 0 0 0 1 V2000 7.6375 -3.4542 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 -1.5167 3.6417 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 9.3083 -2.1375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -2.1375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1833 -5.0500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.0750 -5.0500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3125 4.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7458 4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0375 2.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 4.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1583 3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5750 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8208 -2.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 5.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0583 5.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5667 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2375 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7583 4.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8125 4.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0500 1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 5.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4042 4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0875 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -4.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3917 4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4792 4.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 2 1 0 0 0 0 9 2 1 0 0 0 0 10 2 1 0 0 0 0 11 7 1 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 14 10 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 23 11 1 0 0 0 0 24 12 1 0 0 0 0 25 13 1 0 0 0 0 26 14 1 0 0 0 0 27 15 1 0 0 0 0 28 16 1 0 0 0 0 29 17 1 0 0 0 0 30 18 1 0 0 0 0 M CHG 2 1 -1 2 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD00043321 > F > 87315 > - > - > - > - $$$$ 17 15 0 0 0 0 0 0 0 0 1 V2000 -3.7875 -0.6500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -2.2458 -0.6500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.3292 -0.6500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.7875 0.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7875 -2.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1833 0.1417 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 -2.2458 -2.1958 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 0.8833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 -0.6500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6458 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6208 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2958 2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0708 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 7 2 1 0 0 0 0 8 2 1 0 0 0 0 9 2 1 0 0 0 0 10 6 1 0 0 0 0 11 6 1 0 0 0 0 12 6 1 0 0 0 0 13 6 1 0 0 0 0 14 10 1 0 0 0 0 15 11 1 0 0 0 0 16 12 1 0 0 0 0 17 13 1 0 0 0 0 M CHG 2 3 -1 6 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD00042586 > F > 86651 > - > - > - > - $$$$ 34 32 0 0 0 0 0 0 0 0 1 V2000 -3.0718 0.0408 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4963 0.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6966 0.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1211 1.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3214 0.8171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4808 -0.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6896 -0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1006 -0.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3093 -0.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6381 0.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4378 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0133 0.9985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8130 0.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6608 -0.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4605 -0.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0360 -0.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8357 -0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2814 0.0446 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0718 0.2812 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 1.0840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8815 -0.5215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8429 -0.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2616 -1.0269 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3797 -1.0840 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5383 0.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9900 1.0514 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8788 0.8555 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6774 -0.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3369 -0.7841 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2257 -0.9800 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2059 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8357 -0.1918 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7344 0.9664 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5761 0.8651 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 1 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 1 10 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 14 1 1 0 0 0 19 18 1 0 0 0 22 19 1 0 0 0 19 20 2 0 0 0 19 21 2 0 0 0 22 23 1 0 0 0 22 24 1 0 0 0 22 25 1 0 0 0 25 26 1 0 0 0 25 27 1 0 0 0 25 28 1 0 0 0 28 29 1 0 0 0 28 30 1 0 0 0 28 31 1 0 0 0 31 32 1 0 0 0 31 33 1 0 0 0 31 34 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD00216747 > F > 86909 > - > - > - > - $$$$ 46 44 0 0 0 0 0 0 0 0 1 V2000 -4.7054 -0.1265 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.1298 0.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3302 0.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7546 0.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9550 0.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1143 -0.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3231 -0.4788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7341 -1.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9429 -0.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2717 0.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0713 0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6469 0.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4465 0.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2944 -0.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0940 -0.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6696 -1.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4692 -0.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3782 1.3662 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1976 1.2704 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6902 1.9321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7049 0.6086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6220 0.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8495 0.0052 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8578 -0.5012 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5771 0.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2640 1.2178 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1661 1.4780 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2154 -0.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6264 -0.8032 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5285 -0.5430 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1704 0.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8573 0.8402 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7594 1.1004 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9560 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2691 -1.1185 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3670 -1.3787 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9551 0.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5364 0.7685 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3822 0.7601 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7824 -0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4692 -0.9599 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2733 0.1513 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3713 -1.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0833 -1.6312 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9602 -1.9321 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6593 -0.8091 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 1 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 1 10 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 14 1 1 0 0 0 19 18 1 0 0 0 22 19 1 0 0 0 19 20 2 0 0 0 19 21 2 0 0 0 22 23 1 0 0 0 22 24 1 0 0 0 22 25 1 0 0 0 25 26 1 0 0 0 25 27 1 0 0 0 25 28 1 0 0 0 28 29 1 0 0 0 28 30 1 0 0 0 28 31 1 0 0 0 31 32 1 0 0 0 31 33 1 0 0 0 31 34 1 0 0 0 34 35 1 0 0 0 34 36 1 0 0 0 34 37 1 0 0 0 37 38 1 0 0 0 37 39 1 0 0 0 37 40 1 0 0 0 40 41 1 0 0 0 40 42 1 0 0 0 40 43 1 0 0 0 43 44 1 0 0 0 43 45 1 0 0 0 43 46 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD00270129 > F > 86911 > - > - > - > - $$$$ 14 13 0 0 0 0 0 0 0 0 1 V2000 -1.3223 1.2398 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1825 -0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1825 -1.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9824 -2.0198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7825 -1.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7825 -0.6398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9824 -0.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2623 1.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3223 2.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9824 0.4298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3926 1.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1172 0.6348 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 2.9223 0.1698 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4592 -0.0229 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 10 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD00134423 > F > 14002 > - > - > - > - $$$$ 22 20 0 0 0 0 0 0 0 0 1 V2000 0.0113 0.6041 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3110 -0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2885 -0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0113 2.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3053 1.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2171 0.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2002 0.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9171 3.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2116 0.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1285 -0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1060 -0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8233 2.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1173 1.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0348 0.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0123 0.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7291 3.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0233 0.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3345 -0.3751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3120 -0.3751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0348 2.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3345 1.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8493 -3.1700 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD00011856 > F > 88001 > - > - > - > - $$$$ 34 32 0 0 0 0 0 0 0 0 1 V2000 6.6167 4.7917 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 7.8250 4.7792 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 6.4167 5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 4.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 3.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 3.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 5.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9167 7.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4625 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 8.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 7.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2625 2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2292 7.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3542 6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 5.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 3.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3667 3.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5625 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0500 6.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 7.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 6.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 8.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0917 8.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1625 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 18 1 0 0 0 0 12 17 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 15 29 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 18 24 1 0 0 0 0 19 8 1 0 0 0 0 20 21 1 0 0 0 0 21 10 1 0 0 0 0 22 23 1 0 0 0 0 23 7 1 0 0 0 0 24 22 1 0 0 0 0 25 9 1 0 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 28 20 1 0 0 0 0 29 30 1 0 0 0 0 30 19 1 0 0 0 0 31 14 1 0 0 0 0 32 12 1 0 0 0 0 33 13 1 0 0 0 0 34 11 1 0 0 0 0 M CHG 2 1 1 2 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD00210102 > F > 87991 > - > - > - > - $$$$ 34 32 0 0 0 0 0 0 0 0 1 V2000 0.0000 2.2113 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.2973 2.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2975 2.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3030 1.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2015 2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2017 2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 -0.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3030 -0.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1114 2.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1116 2.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8086 0.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2073 -1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0161 2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0160 2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7186 -0.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1116 -0.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9202 2.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9204 2.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6227 0.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0160 -1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8245 2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8246 2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5269 -0.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9204 -0.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7290 2.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7290 2.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4315 0.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8246 -1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0320 2.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0320 2.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7290 -0.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1333 -0.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6223 -2.9640 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 27 31 1 0 0 0 0 28 32 1 0 0 0 0 29 33 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD00011863 > F > 88000 > - > - > - > - $$$$ 25 19 0 0 0 0 0 0 0 0 1 V2000 3.1484 -0.3984 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 3.7239 0.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5489 0.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7394 -0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5644 -0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5821 0.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7571 0.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5594 -0.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7344 -0.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 -0.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5480 0.7619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5480 -0.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8361 -0.4713 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.6943 0.3092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4088 0.7217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1209 0.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6084 1.6414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3229 2.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0350 1.6428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8922 -2.8705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6068 -2.4580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3188 -2.8691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8063 -1.5383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5208 -1.1258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2329 -1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 2 3 1 0 0 0 0 1 4 1 0 0 0 0 4 5 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 6 7 1 0 0 0 0 1 6 1 0 0 0 0 8 9 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 8 1 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 1 2 1 0 0 0 0 10 12 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 G 14 0 • \n4\nH2O M CHG 2 1 1 13 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 12 14 15 16 17 18 19 20 21 22 23 24 25 M SMT 1 • \n4\nH2O M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD00149993 > F > 86607 > - > - > - > - $$$$ 30 28 0 0 0 0 0 0 0 0 1 V2000 0.2418 0.7836 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.0817 -1.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3697 -2.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6577 -1.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9458 -2.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2338 -1.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4782 -2.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1902 -1.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2418 -0.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4702 -0.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1822 -0.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8942 -0.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6062 -0.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3182 -0.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0302 -0.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5137 1.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8017 2.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0897 1.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3778 2.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6658 1.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9538 2.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2418 1.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5137 1.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8017 0.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0897 1.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3778 0.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6658 1.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9538 0.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2418 1.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0473 1.7719 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 1 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 1 22 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 1 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 2 3 4 5 6 7 8 M SBL 1 1 1 M SMT 1 CH2(CH2)5CH3 M SBV 1 1 -4.0511 2.6945 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 7 9 10 11 12 13 14 15 M SBL 2 1 8 M SMT 2 CH2(CH2)5CH3 M SBV 2 8 -6.8910 4.2984 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 7 16 17 18 19 20 21 22 M SBL 3 1 15 M SMT 3 CH3(CH2)5CH^2 M SBV 3 15 -7.3746 5.9852 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 7 23 24 25 26 27 28 29 M SBL 4 1 22 M SMT 4 CH2(CH2)5CH3 M SBV 4 22 -2.6191 5.5345 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD00011861 > F > 87301 > - > - > - > - $$$$ 42 40 0 0 0 0 0 0 0 0 1 V2000 0.0000 3.5047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2975 4.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2975 4.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3029 2.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2017 3.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2016 3.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9043 0.9435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3029 0.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1117 4.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1116 4.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 1.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2074 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0159 3.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0159 3.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7184 0.9435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1116 0.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9204 4.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9204 4.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6229 1.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0159 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8245 3.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8246 3.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5270 0.9435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9204 0.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7290 4.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7289 4.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4313 1.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8246 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6388 3.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6387 3.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3358 0.9435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7289 0.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5433 4.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5431 4.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2458 1.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6275 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8408 3.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8408 3.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5433 0.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9419 0.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 -4.2574 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 27 31 1 0 0 0 0 28 32 1 0 0 0 0 29 33 1 0 0 0 0 30 34 1 0 0 0 0 31 35 1 0 0 0 0 32 36 1 0 0 0 0 33 37 1 0 0 0 0 34 38 1 0 0 0 0 35 39 1 0 0 0 0 36 40 1 0 0 0 0 37 41 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD00043166 > F > 87579 > - > - > - > - $$$$ 7 4 0 0 0 0 0 0 0 0 1 V2000 -0.8991 1.3849 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3993 0.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1976 0.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8991 2.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1976 2.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0285 -2.9465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1976 2.0668 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD00149566 > F > 87741 > - > - > - > - $$$$ 25 24 0 0 0 0 0 0 0 0 1 V2000 -0.1861 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1861 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5284 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2429 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2429 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5284 0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5284 1.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2429 2.2097 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5284 2.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2429 3.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6279 -2.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9159 -3.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 -2.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 -3.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -2.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -3.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -2.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -3.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -2.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 -3.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 -2.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2040 -3.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9159 -2.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6279 -3.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3241 0.5883 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 6 7 1 0 0 0 8 7 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 14 11 12 13 14 15 16 17 18 19 20 21 22 23 24 M SBL 1 1 11 M SMT 1 CH2(CH2)12CH3 M SBV 1 11 0.6049 1.5472 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > MFCD00011771 > F > 13401 > - > - > - > - $$$$ 21 19 0 0 0 0 0 0 0 0 1 V2000 0.4867 0.9412 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.4867 1.7577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4867 0.1074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3117 0.9412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3383 0.9412 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7244 1.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5494 1.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9619 2.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7871 2.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -1.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9133 -1.5428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9133 -2.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3746 0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5496 0.0412 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4379 0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5496 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5496 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2629 1.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7871 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8361 -1.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 4 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 3 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 15 17 1 0 0 0 15 18 1 0 0 0 17 19 1 0 0 0 14 20 1 0 0 0 18 21 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > A_____669849 > A > 669849 > - > - > - > - $$$$ 27 25 0 0 0 0 0 0 0 0 1 V2000 -2.3007 0.9727 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2179 0.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6689 0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9569 -0.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2449 0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5329 -0.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1891 2.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4771 1.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7651 2.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0531 1.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1101 1.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8221 1.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5341 1.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2461 1.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5722 0.9097 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.5722 1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5722 0.0760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3972 0.9097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7472 0.9097 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2461 1.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6647 1.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8687 1.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2873 2.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2855 -0.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2855 -1.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9989 -1.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9989 -2.3993 0.0000 C 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 6 1 0 0 0 1 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 1 14 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 15 16 2 0 0 0 15 17 1 0 0 0 15 18 1 0 0 0 15 19 1 0 0 0 18 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 17 24 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 3 4 5 6 M SBL 1 1 2 M SMT 1 (CH2)3CH3 M SBV 1 2 -8.9178 3.6030 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 7 8 9 10 M SBL 2 1 6 M SMT 2 (CH2)3CH3 M SBV 2 6 -7.4380 5.8840 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 11 12 13 14 M SBL 3 1 10 M SMT 3 ^(CH2)3CH3 M SBV 3 10 -9.4951 5.1701 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 4 20 21 22 23 M SBL 4 1 18 M SMT 4 (CH2)3CH3 M SBV 4 18 -5.7008 4.8265 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 4 24 25 26 27 M SBL 5 1 25 M SMT 5 (CH2)3CH3 M SBV 5 25 -6.8364 4.0449 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > A_____669962 > A > 669962 > - > - > - > - $$$$ 13 11 0 0 1 0 0 0 0 0 1 V2000 -2.4151 0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5901 0.2021 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4784 0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5901 1.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5901 -0.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8262 -0.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6484 -0.5099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6484 -0.2093 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9340 0.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 1.0253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5125 0.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 -1.0271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 2 5 1 0 0 0 1 6 1 0 0 0 6 7 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 9 11 2 0 0 0 10 12 1 0 0 0 10 13 1 1 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16255867 > A_____670391 > A > 670391 > - > - > - > - $$$$