15 17 0 0 0 0 0 0 0 0 1 V2000 -1.0705 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.2070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 1.0305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -1.4430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 1 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 2 1 0 1 5 1 0 4 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00022665 > A > 642711 > - > - > - > - $$$$ 16 18 0 0 0 0 0 0 0 0 1 V2000 -1.0705 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.2070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 1.0305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 1.0291 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 1 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 2 1 0 1 5 1 0 4 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 10 1 0 15 16 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00051632 > A > 632600 > - > - > - > - $$$$ 10 11 0 0 0 1 V2000 -0.7621 0.7276 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5000 -0.6759 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1966 0.9138 0.0000 N 0 0 0 0 0 0 0 0 0 0.3276 1.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0.8345 -1.1586 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7690 -1.3552 0.0000 N 0 0 0 0 0 0 0 0 0 -2.8207 -0.3690 0.0000 C 0 0 0 0 0 0 0 0 0 1.6655 1.1759 0.0000 C 0 0 0 0 0 0 0 0 0 1.9345 -0.2207 0.0000 C 0 0 0 0 0 0 0 0 0 3.2862 -0.7034 0.0000 Cl 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 4 8 2 0 0 0 5 9 2 0 0 0 9 10 1 0 0 0 6 7 2 0 0 0 8 9 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00059698 > A > 631248 > - > - > - > - $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -1.1002 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8147 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8147 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1002 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3857 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3857 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3989 -0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3989 0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5267 0.8236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7045 0.0007 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7045 0.8228 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5267 0.0007 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7045 -0.8214 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 6 1 0 0 0 0 2 10 1 0 0 0 0 8 11 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 G 11 8 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 11 12 13 14 M SBL 1 1 9 M SMT 1 CF3 M SBV 1 9 -0.8200 -0.0100 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD01632182 > A > 579483 > - > - > - > - $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 4.0017 -2.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0017 -3.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7204 -3.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4306 -3.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4306 -2.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7204 -2.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2152 -3.5903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6960 -2.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2152 -2.2554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5223 -2.9146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2814 -2.0910 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2855 -1.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5694 -2.5021 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 8 10 2 0 0 0 0 1 11 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 G 11 1 NO2 M CHG 2 11 1 13 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 11 12 13 M SBL 1 1 8 M SDI 1 4 3.6200 -2.0400 3.4100 -2.4000 M SMT 1 NO2 M SBV 1 8 0.7300 -0.4200 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00220274 > A > 558478 > - > - > - > - $$$$ 13 14 0 0 0 1 V2000 -1.3207 -0.8241 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3207 0.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0.0034 -1.2069 0.0000 N 0 0 0 0 0 0 0 0 0 -2.5000 -1.5103 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0276 0.9034 0.0000 N 0 0 0 0 0 0 0 0 0 -2.5000 1.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0.8241 -0.1759 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6862 -0.8241 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6862 0.4931 0.0000 C 0 0 0 0 0 0 0 0 0 2.1655 -0.1828 0.0000 N 0 0 0 0 0 0 0 0 0 2.8759 0.9448 0.0000 C 0 0 0 0 0 0 0 0 0 4.2517 0.9517 0.0000 C 0 0 0 0 0 0 0 0 0 4.9069 -0.2828 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 4 8 2 0 0 0 6 9 2 0 0 0 7 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 5 7 2 0 0 0 8 9 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00159949 > A > 572721 > - > - > - > - $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 0.9333 0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 0.9833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -0.3500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.3333 -0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7583 0.3167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 -0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 8 2 0 0 0 0 11 9 2 0 0 0 0 5 4 2 0 0 0 0 10 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD01788333 > A > 572748 > - > - > - > - $$$$ 18 19 0 0 0 0 0 0 0 0 1 V2000 1.4602 -4.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4602 -5.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1746 -5.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8891 -5.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8891 -4.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1746 -4.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6737 -5.4935 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1587 -4.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6737 -4.1586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8708 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5833 -4.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2958 -4.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0083 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7208 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4333 -4.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1458 -4.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8583 -4.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5708 -4.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 8 10 1 0 0 0 0 1 2 2 0 0 0 0 10 11 1 0 0 0 0 2 3 1 0 0 0 0 11 12 1 0 0 0 0 3 4 2 0 0 0 0 12 13 1 0 0 0 0 4 5 1 0 0 0 0 13 14 1 0 0 0 0 5 6 2 0 0 0 0 14 15 1 0 0 0 0 6 1 1 0 0 0 0 15 16 1 0 0 0 0 4 7 1 0 0 0 0 16 17 1 0 0 0 0 7 8 1 0 0 0 0 17 18 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00087614 > A > 538353 > - > - > - > - $$$$ 16 18 0 0 0 0 0 0 0 0 1 V2000 -0.3358 1.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3358 0.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0503 0.2718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7648 0.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7648 1.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0503 1.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4488 1.7642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9337 1.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4488 0.4294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7029 -0.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7559 1.0968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1508 -0.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4058 -1.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2127 -1.9218 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7648 -1.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5098 -0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 7 8 1 0 8 9 1 0 9 2 1 0 9 10 1 0 8 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00005714 > A > 129550 > - > - > - > - $$$$ 22 23 0 0 0 0 0 0 0 0 1 V2000 0.5583 -4.7042 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.4875 -4.8625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9708 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -6.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5583 -3.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5583 -5.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7958 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2667 -4.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -3.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2083 -6.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2083 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0333 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0333 -6.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4458 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -3.8750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -3.8750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 2 2 0 0 0 0 4 7 1 0 0 0 0 5 8 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 9 1 2 0 0 0 0 10 1 2 0 0 0 0 11 3 1 0 0 0 0 12 1 1 0 0 0 0 13 6 2 0 0 0 0 14 13 1 0 0 0 0 16 11 2 0 0 0 0 17 11 1 0 0 0 0 18 17 2 0 0 0 0 19 16 1 0 0 0 0 20 18 1 0 0 0 0 21 15 1 0 0 0 0 22 15 1 0 0 0 0 7 14 2 0 0 0 0 3 4 1 0 0 0 0 20 19 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00150559 > A > 437166 > - > - > - > - $$$$ 13 15 0 0 0 0 0 0 0 0 1 V2000 -1.4688 0.9853 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6619 0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5756 -0.0068 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3293 -0.3423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8813 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0918 1.1493 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6438 0.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2313 -0.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6438 -0.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4688 -0.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8813 -0.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4688 0.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5008 -1.1493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 1 5 1 0 6 7 1 0 7 8 1 0 9 10 1 0 10 11 2 0 11 12 1 0 7 12 2 0 8 9 2 0 2 6 2 0 3 8 1 0 4 13 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00179328 > A > 534242 > - > - > - > - $$$$ 15 17 0 0 0 0 0 0 0 0 1 V2000 -1.8708 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1564 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1564 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5853 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5853 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3717 -0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1132 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3717 0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9353 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3478 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1728 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5853 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1728 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3478 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 7 8 1 0 8 9 2 0 9 3 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00005586 > A > 155101 > - > - > - > - $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 1.7250 -0.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3125 -1.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6458 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9417 0.6042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4792 0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7625 -1.0833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 -1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3542 1.3208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3542 -0.1083 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6917 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7667 0.6042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 4 2 0 0 0 0 7 9 1 0 0 0 0 8 6 1 0 0 0 0 9 8 1 0 0 0 0 10 2 1 0 0 0 0 11 5 2 0 0 0 0 12 7 1 0 0 0 0 13 7 1 0 0 0 0 14 8 2 0 0 0 0 15 7 1 0 0 0 0 3 5 1 0 0 0 0 11 14 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00467504 > A > 542210 > - > - > - > - $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 0.3819 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3819 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3326 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0471 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0471 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3326 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1665 -1.0785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6514 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1665 0.2564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4735 -0.4111 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7616 0.4139 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7616 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4735 0.0029 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 2 1 0 0 0 0 8 10 1 0 0 0 0 4 11 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 G 11 4 NO2 M CHG 2 11 1 13 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 11 12 13 M SBL 1 1 10 M SMT 1 NO2 M SBV 1 10 0.7200 -0.4100 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00804727 > A > 263575 > - > - > - > - $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 1.0082 0.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2545 1.0210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2975 0.4079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 -0.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9219 -0.1350 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1225 0.4079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5350 -0.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1225 -1.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2975 -1.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5350 -0.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 1 5 1 0 6 7 1 0 7 8 2 0 8 9 1 0 4 9 2 0 3 6 2 0 5 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00192275 > A > 399353 > - > - > - > - $$$$ 21 19 0 0 0 0 0 0 0 0 1 V2000 3.5125 -5.6208 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.4417 -5.7792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 -6.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -7.1125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6583 -6.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -6.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6583 -6.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -5.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 -6.1167 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0958 -5.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -4.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7500 -6.4458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -6.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -7.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -6.1167 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.0417 -6.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0417 -4.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3292 -7.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3292 -5.0292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7542 -7.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7542 -5.0292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 2 2 0 0 0 0 4 7 1 0 0 0 0 5 8 2 0 0 0 0 6 1 1 0 0 0 0 7 14 2 0 0 0 0 8 6 1 0 0 0 0 9 1 1 0 0 0 0 10 1 2 0 0 0 0 11 1 2 0 0 0 0 12 3 1 0 0 0 0 13 6 2 0 0 0 0 14 13 1 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 20 16 1 0 0 0 0 21 17 1 0 0 0 0 5 7 1 0 0 0 0 3 4 1 0 0 0 0 M CHG 2 9 -1 15 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00192260 > A > 385700 > - > - > - > - $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -2.3805 0.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3805 -0.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6660 -1.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9516 -0.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9516 0.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6660 0.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1669 -0.9682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 -0.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1669 0.3667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 -0.3008 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5555 0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3805 0.4137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1444 1.1258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 10 8 1 0 11 10 1 0 12 11 1 0 11 13 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00005589 > A > B5453 > - > - > - > - $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -1.4598 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1742 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1742 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4598 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7453 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7453 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0393 -0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5242 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0393 0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3492 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3492 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3492 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1742 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 1 0 8 9 2 0 9 6 1 0 8 10 1 0 10 11 2 0 10 12 2 0 10 13 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00100972 > A > 530646 > - > - > - > - $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 1.5167 0.6708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -0.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7333 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7333 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4083 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8333 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 5 2 0 0 0 0 9 6 1 0 0 0 0 10 9 2 0 0 0 0 11 9 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 3 5 1 0 0 0 0 8 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD01326487 > A > 536075 > - > - > - > - $$$$ 9 10 0 0 0 0 0 0 0 0 1 V2000 -1.3492 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 -0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3492 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00005579 > A > A93607 > - > - > - > - $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 1.5750 0.6708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -0.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6375 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6375 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0667 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 2 2 0 0 0 0 7 6 1 0 0 0 0 8 5 2 0 0 0 0 9 8 1 0 0 0 0 10 8 1 0 0 0 0 11 10 1 0 0 0 0 4 6 1 0 0 0 0 7 9 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00272526 > A > 515108 > - > - > - > - $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 0.0797 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7942 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7942 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0637 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5788 -1.0799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0637 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5788 0.2549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 7 8 2 0 7 9 1 0 5 10 1 0 10 11 1 0 11 12 2 0 12 6 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00011555 > A > 296783 > - > - > - > - $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 0.0259 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0259 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6886 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4031 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4031 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6886 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1175 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8105 -0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2954 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8105 0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1175 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 7 4 1 0 1 8 1 0 8 9 1 0 9 10 2 0 10 2 1 0 9 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00010617 > A > 305243 > - > - > - > - $$$$ 18 16 0 0 0 0 0 0 0 0 1 V2000 -0.8875 2.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8875 0.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3167 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 1.9083 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 1.1333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 0.4958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 0.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4917 0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4917 1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 1.9083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 0.0333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 1.1333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 0.0333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 3 1 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 12 5 1 0 0 0 0 13 14 1 0 0 0 0 14 10 2 0 0 0 0 15 7 1 0 0 0 0 16 11 1 0 0 0 0 17 8 1 0 0 0 0 18 11 1 0 0 0 0 5 2 1 0 0 0 0 12 13 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00150073 > A > 165638 > - > - > - > - $$$$ 11 12 0 0 0 1 V2000 -0.2759 0.9345 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2759 -0.4897 0.0000 C 0 0 0 0 0 0 0 0 0 1.1069 1.3793 0.0000 N 0 0 0 0 0 0 0 0 0 -1.4966 1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 1.1069 -0.9379 0.0000 N 0 0 3 0 0 0 0 0 0 -1.4966 -1.2207 0.0000 C 0 0 0 0 0 0 0 0 0 1.9207 0.2414 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7552 0.9345 0.0000 C 0 0 0 0 0 0 0 0 0 1.5724 -2.2793 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7552 -0.4897 0.0000 C 0 0 0 0 0 0 0 0 0 3.3414 0.2621 0.0000 N 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 4 8 2 0 0 0 5 9 1 0 0 0 6 10 2 0 0 0 7 11 1 0 0 0 5 7 1 0 0 0 8 10 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00142855 > A > 412546 > - > - > - > - $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -0.9932 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9932 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4357 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4357 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2203 -0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7052 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2203 0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7052 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 1 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00010740 > A > 305235 > - > - > - > - $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -0.3750 0.9708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1083 0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 -0.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 -0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5833 -1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9333 0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3458 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5833 0.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5875 -0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5875 0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 9 1 0 0 0 0 7 6 2 0 0 0 0 8 2 1 0 0 0 0 9 8 1 0 0 0 0 10 6 1 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 14 1 0 0 0 0 14 11 2 0 0 0 0 3 5 1 0 0 0 0 12 13 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD01318312 > A > 361933 > - > - > - > - $$$$ 10 11 0 0 0 1 V2000 0.1034 0.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0.1034 -0.7103 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2414 1.1552 0.0000 N 0 0 0 0 0 0 0 0 0 1.3552 1.4379 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2414 -1.1586 0.0000 N 0 0 0 0 0 0 0 0 0 1.3552 -1.4310 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0897 -0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 2.5966 0.7069 0.0000 C 0 0 0 0 0 0 0 0 0 2.5966 -0.7103 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5379 -0.0034 0.0000 Cl 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 4 8 2 0 0 0 6 9 2 0 0 0 7 10 1 0 0 0 5 7 2 0 0 0 8 9 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00051944 > A > 412538 > - > - > - > - $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.4043 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4043 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6898 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0246 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0246 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6898 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8092 -0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2942 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8092 0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1163 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1163 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1163 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 8 10 1 0 1 11 1 0 2 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00005600 > A > T74004 > - > - > - > - $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -1.9666 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9666 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2521 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5376 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5376 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2521 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 -0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7319 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5541 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9666 -0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 8 10 1 0 10 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00005602 > A > C52055 > F > 16992 > - > - $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -1.2535 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2535 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5391 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5391 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2456 -0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7305 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2456 0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5555 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9680 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 1 0 8 9 2 0 9 6 1 0 8 10 1 0 10 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00014560 > A > 158356 > - > - > - > - $$$$ 15 17 0 0 0 0 0 0 0 0 1 V2000 -2.5853 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5853 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1564 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1564 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3717 -0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1132 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3717 0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9353 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3478 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1728 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5853 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1728 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3478 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00005592 > A > P19809 > - > - > - > - $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 4.3636 -6.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3636 -6.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0781 -7.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7926 -6.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7926 -6.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0781 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5772 -7.1424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0621 -6.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5772 -5.8076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6492 -5.6500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.8871 -6.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.8871 -5.6529 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.7092 -6.4750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.8871 -7.2971 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 1 10 1 0 0 0 0 8 11 1 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 G 11 8 CCl3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 11 12 13 14 M SBL 1 1 9 M SDI 1 4 7.6000 -6.6700 7.6000 -6.2700 M SMT 1 CCl3 M SBV 1 9 -0.8300 0.0000 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00005595 > A > 192538 > - > - > - > - $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 0.3831 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3831 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3314 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3314 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7603 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4748 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1677 -0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6526 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1677 0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4748 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 7 4 1 0 8 7 1 0 1 9 1 0 9 10 1 0 10 11 2 0 11 2 1 0 10 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00134581 > A > 382485 > - > - > - > - $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 0.9144 -0.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8281 0.2053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0212 0.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3913 -0.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1607 -0.9507 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3913 1.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2163 1.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6288 0.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2163 -0.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6288 -1.0277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5061 1.0443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7269 -1.0913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 1 5 1 0 6 7 1 0 7 8 1 0 8 9 1 0 4 9 1 0 3 6 1 0 1 10 2 0 3 11 1 6 4 12 1 6 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00134315 > A > 366307 > - > - > - > - $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -2.1714 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1714 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4569 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7424 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7424 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4569 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0422 -0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5271 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0422 0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3492 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3492 0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1714 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3492 -0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 8 10 1 0 10 11 1 0 10 12 1 0 10 13 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 10 11 12 13 M SBL 1 1 11 M SMT 1 CF3 M SBV 1 11 -2.6113 2.3203 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00022675 > A > 105694 > - > - > - > - $$$$ 16 18 0 0 0 0 0 0 0 0 1 V2000 -1.0705 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.2070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 1.0305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 1.0291 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 1 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 2 1 0 1 5 1 0 4 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 10 1 0 15 16 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00051496 > A > 642681 > - > - > - > - $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 4.2860 -6.6172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9450 -6.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6901 -5.3517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8693 -5.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6143 -6.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3130 -4.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5145 -4.9186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2553 -5.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8116 -6.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7327 -6.3878 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3405 -5.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 2 10 1 0 0 0 0 1 2 1 0 0 0 0 10 11 1 0 0 0 0 G 10 2 SCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 10 11 M SBL 1 1 10 M SDI 1 4 5.4000 -6.4900 5.5300 -6.1000 M SMT 1 SCH3 M SBV 1 10 -0.7800 0.2500 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00005594 > A > M54600 > - > - > - > - $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -2.3769 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3769 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6624 -1.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9480 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9480 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6624 0.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1633 -0.9669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3216 -0.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1633 0.3679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1437 -0.2995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5548 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3769 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1437 1.1245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 8 10 1 0 10 11 1 0 11 12 1 0 11 13 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00005590 > A > G11802 > - > - > - > - $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 0.0387 -0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0387 0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8019 0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6424 0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6424 -0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8019 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9618 0.7852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5323 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9618 -0.7852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3546 0.8964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3546 -0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 7 8 2 0 8 9 1 0 9 1 1 0 4 10 1 0 8 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00022671 > A > 536067 > - > - > - > - $$$$ 17 19 0 0 0 1 V2000 1.4310 0.7793 0.0000 N 0 0 3 0 0 0 0 0 0 0.0621 1.2172 0.0000 C 0 0 0 0 0 0 0 0 0 1.9483 -0.5483 0.0000 C 0 0 3 0 0 0 0 0 0 2.2483 1.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0.0621 2.6655 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1897 0.5034 0.0000 C 0 0 0 0 0 0 0 0 0 3.3621 -0.7897 0.0000 C 0 0 0 0 0 0 0 0 0 1.0552 -1.6621 0.0000 C 0 0 0 0 0 0 0 0 0 1.4310 3.1069 0.0000 N 0 0 0 0 0 0 0 0 0 3.6862 1.9448 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1897 3.3828 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4414 1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 3.8759 -2.1207 0.0000 C 0 0 0 0 0 0 0 0 0 1.5724 -2.9931 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4414 2.6483 0.0000 C 0 0 0 0 0 0 0 0 0 2.9793 -3.2310 0.0000 N 0 0 0 0 0 0 0 0 0 -3.6897 3.3241 0.0000 Cl 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 2 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 3 8 1 0 0 0 4 9 1 0 0 0 4 10 2 0 0 0 5 11 1 0 0 0 6 12 2 0 0 0 7 13 1 0 0 0 8 14 1 0 0 0 11 15 2 0 0 0 13 16 1 0 0 0 15 17 1 0 0 0 5 9 1 0 0 0 12 15 1 0 0 0 14 16 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD02093793 > A > 552372 > - > - > - > - $$$$ 16 16 0 0 0 0 0 0 0 0 1 V2000 -1.6894 0.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6894 -0.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9761 -1.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2657 -0.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2657 0.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9761 0.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5166 -0.9161 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9949 -0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5166 0.4076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4029 0.5709 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4029 1.3932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1150 0.1598 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1150 0.0310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7039 -0.6811 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.1150 -1.3932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8817 -0.6811 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 4 7 1 0 7 8 1 0 8 9 2 0 5 9 1 0 1 10 1 0 10 11 2 0 10 12 1 0 13 14 1 0 14 15 2 0 14 16 1 0 M CHG 4 10 1 12 -1 14 1 16 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 10 11 12 M SBL 1 1 11 M SMT 1 NO2 M SBV 1 11 -12.2927 8.1801 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 13 14 15 16 M SMT 2 HONO2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00013157 > A > 266507 > F > 72870 > S > N2013 $$$$ 18 20 0 0 0 1 V2000 -1.8000 0.5690 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6379 0.1966 0.0000 N 0 0 3 0 0 0 0 0 0 -1.8172 1.7966 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8828 -0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2483 -0.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0.0655 1.1897 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6690 2.1828 0.0000 N 0 0 0 0 0 0 0 0 0 -2.9241 2.4414 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9966 0.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0.9552 -1.2241 0.0000 C 0 0 0 0 0 0 0 0 0 1.3000 1.1897 0.0000 Cl 0 0 0 0 0 0 0 0 0 -3.9966 1.8276 0.0000 C 0 0 0 0 0 0 0 0 0 1.7862 -0.3034 0.0000 C 0 0 0 0 0 0 0 0 0 1.3345 -2.3966 0.0000 C 0 0 0 0 0 0 0 0 0 2.9966 -0.5552 0.0000 C 0 0 0 0 0 0 0 0 0 2.5448 -2.6552 0.0000 C 0 0 0 0 0 0 0 0 0 3.3931 -1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 4.6034 -1.9828 0.0000 F 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 2 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 3 8 2 0 0 0 4 9 1 0 0 0 5 10 1 0 0 0 6 11 1 0 0 0 8 12 1 0 0 0 10 13 1 0 0 0 10 14 2 0 0 0 13 15 2 0 0 0 14 16 1 0 0 0 15 17 1 0 0 0 17 18 1 0 0 0 6 7 2 0 0 0 9 12 2 0 0 0 16 17 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00800240 > A > 568694 > - > - > - > - $$$$ 9 10 0 0 0 0 0 0 0 0 1 V2000 4.6023 -5.3959 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6023 -6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3177 -6.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0331 -6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0331 -5.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3177 -4.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8162 -6.4770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2980 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8162 -5.1438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00051808 > A > 561835 > - > - > - > - $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -1.7603 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7603 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3314 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3314 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4533 -0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9382 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4533 0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7603 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 8 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00005598 > A > M29800 > F > 65840 > - > - $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -1.7603 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7603 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3314 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3314 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4533 -0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9382 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4533 0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7603 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 8 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00127894 > A > H19859 > F > 54602 > - > - $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -1.7603 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7603 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3314 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3314 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4533 -0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9382 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4533 0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7603 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 8 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00005596 > A > 171778 > F > 06900 > - > - $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 0.9375 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 0.6708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -0.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7583 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 4 2 0 0 0 0 8 5 2 0 0 0 0 9 8 1 0 0 0 0 10 7 1 0 0 0 0 4 5 1 0 0 0 0 10 9 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00466107 > A > M3205 > F > 63710 > - > - $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 4.5393 -5.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8248 -6.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8248 -6.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5393 -7.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2537 -6.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2537 -6.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0341 -7.1174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5191 -6.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0341 -5.7868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3441 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7544 -5.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5781 -5.8049 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 6 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 1 2 2 0 0 0 0 11 12 3 0 0 0 0 G 11 10 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 11 12 M SBL 1 1 11 M SDI 1 4 7.7900 -6.0700 7.4300 -5.8600 M SMT 1 CN M SBV 1 11 -0.4100 -0.7200 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00005601 > A > B5291 > - > - > - > - $$$$ 9 10 0 0 0 0 0 0 0 0 1 V2000 0.8351 0.6532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3221 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8751 -0.6503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0616 0.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0616 -0.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6289 0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5886 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3221 -0.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3221 0.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 1 4 1 0 4 5 2 0 4 6 1 0 5 7 1 0 8 9 1 0 6 9 2 0 3 5 1 0 7 8 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00005585 > A > 194123 > - > - > - > - $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 3.4875 -5.6210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -6.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2071 -6.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9184 -6.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9184 -5.6210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2071 -5.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7015 -6.7023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1834 -6.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7015 -5.3690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0105 -6.0252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4219 -5.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2532 -5.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6646 -4.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0105 -4.6021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 11 14 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00055390 > A > 378674 > - > - > - > - $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -0.9932 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9932 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4357 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4357 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2203 -0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7052 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2203 0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7052 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7052 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 1 10 1 0 2 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00005603 > A > D147206 > F > 39580 > - > - $$$$ 34 38 0 0 0 0 0 0 0 0 1 V2000 -5.2751 0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2751 -0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5606 -0.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8462 -0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8462 0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5606 1.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0615 -0.3337 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5766 0.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0615 1.0012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0615 -1.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8622 -0.0788 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1477 0.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3496 -1.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4332 -0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2813 0.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2813 1.1587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4332 1.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1477 1.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9932 1.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7077 1.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4222 1.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1367 1.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8511 1.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8511 2.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1367 2.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4222 2.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3496 -2.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6351 -2.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9206 -2.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9206 -1.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6351 -1.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2086 -2.8059 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5631 2.8059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2751 2.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 5 1 0 0 0 7 10 1 0 0 0 11 8 1 0 0 0 12 11 1 0 0 0 10 13 1 0 0 0 12 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 12 1 0 0 0 16 19 1 0 0 0 20 19 1 0 0 0 21 20 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 26 21 1 0 0 0 13 27 2 0 0 0 27 28 1 0 0 0 28 29 2 0 0 0 29 30 1 0 0 0 30 31 2 0 0 0 31 13 1 0 0 0 29 32 1 0 0 0 24 33 1 0 0 0 33 34 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 33 34 M SBL 1 1 37 M SMT 1 OCH3 M SBV 1 37 -7.1572 6.5885 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00153919 > S > A6424 > - > - > - > - $$$$ 18 19 0 0 0 0 0 0 0 0 1 V2000 -1.4031 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4031 -0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6886 -0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0259 -0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0259 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6886 1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8105 -0.4626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2954 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8105 0.8723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1175 0.2048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1151 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8295 0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8320 -0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8320 -1.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5440 1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2585 0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5465 0.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2585 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 5 1 0 0 0 8 10 1 0 0 0 1 11 1 0 0 0 11 12 1 0 0 0 13 10 1 0 0 0 13 14 2 0 0 0 15 12 1 0 0 0 16 15 1 0 0 0 13 17 1 0 0 0 17 18 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 17 18 M SBL 1 1 18 M SMT 1 OCH3 M SBV 1 18 -7.4937 3.7540 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00133728 > S > O3132 > - > - > - > - $$$$ 21 23 0 0 0 0 0 0 0 0 1 V2000 5.3129 -9.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3129 -9.2233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6309 -10.3865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9091 -9.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8287 -9.2233 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1871 -10.3464 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6658 -9.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0669 -9.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6658 -8.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8636 -8.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 -9.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8636 -9.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 -7.6993 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6604 -7.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2593 -7.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5028 -7.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9039 -7.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5028 -8.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2993 -8.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0169 -10.3674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7289 -10.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 4 6 1 0 0 0 0 8 7 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 7 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 14 19 1 0 0 0 0 1 20 1 0 0 0 0 1 2 2 0 0 0 0 20 21 1 0 0 0 0 G 20 1 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 21 M SMT 1 OCH3 M SBV 1 21 -0.7000 0.3800 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00144301 > S > F5396 > - > - > - > - $$$$ 21 22 0 0 0 0 0 0 0 0 1 V2000 -2.5273 1.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7868 0.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2384 0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4304 0.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1709 0.9548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7193 1.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7658 -0.3171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0956 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3459 0.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6848 -0.0947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 0.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0794 0.1932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1328 1.2569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6936 0.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7707 -1.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 -1.5461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0611 -1.5545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6533 -1.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3629 -1.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0773 -1.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7868 -1.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 8 10 1 0 10 11 1 0 11 12 1 0 11 13 2 0 12 14 1 0 7 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00084636 > A > 381586 > - > - > - > - $$$$ 21 23 0 0 0 0 0 0 0 0 1 V2000 -1.3337 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6204 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0902 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0902 0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6204 0.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8722 -1.0749 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3508 -0.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8722 0.2487 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3337 0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0460 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0462 1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7517 0.8618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9267 0.8618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0066 0.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3392 -0.4078 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6717 0.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2216 -0.4274 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9361 -0.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9361 0.8073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2945 -0.2205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0066 -0.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 3 6 1 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 4 8 1 0 0 0 1 9 2 0 0 0 5 9 1 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 12 13 1 0 0 0 12 14 2 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 13 2 0 0 0 10 16 1 0 0 0 17 18 1 0 0 0 17 7 1 0 0 0 18 19 2 0 0 0 18 20 1 0 0 0 20 21 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 22 M SMT 1 OCH3 M SBV 1 22 -6.5733 2.6760 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00005588 > F > 74151 > - > - > - > - $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 4.4585 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4585 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9781 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4977 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4977 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9781 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0684 -3.3521 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.4210 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0684 -2.3813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0190 -2.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2531 -3.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8380 -4.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8531 -4.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 8 10 2 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16266009 > MFCD00218253 > A > 679402 > - > - > - > - $$$$