13 8 0 0 0 0 0 0 0 0 1 V2000 7.1083 -4.3083 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.1042 -3.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9833 -4.2750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1042 -5.1333 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.2667 -4.3083 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1083 -6.8208 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.1042 -7.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9833 -6.8542 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1042 -5.9958 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.2667 -6.8208 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.6125 -5.6500 0.0000 Zn 0 2 0 0 0 0 0 0 0 0 0 0 9.0417 -4.8708 0.0000 Zn 0 2 0 0 0 0 0 0 0 0 0 0 9.0750 -5.9917 0.0000 Zn 0 2 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 6 7 2 0 0 0 0 1 2 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 1 3 1 0 0 0 0 6 10 1 0 0 0 0 1 4 1 0 0 0 0 M CHG 8 3 -1 4 -1 5 -1 8 -1 9 -1 10 -1 11 2 12 2 M CHG 1 13 2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD00036282 > A > 587583 > - > - > - > - $$$$ 25 28 0 0 0 0 0 0 0 0 1 V2000 0.3730 1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 0.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 -0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8019 0.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8019 1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 1.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5164 -0.0981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2309 0.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2309 1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5164 1.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9429 -0.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 -0.9202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3730 1.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3730 0.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0875 -0.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8019 0.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8019 1.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0875 1.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5164 -0.1411 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2309 0.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2309 1.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5164 1.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9429 -0.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0875 -0.9632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 -1.5519 0.0000 Zn 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 5 1 0 0 0 8 11 1 0 0 0 3 12 1 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 13 2 0 0 0 16 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 22 17 1 0 0 0 20 23 1 0 0 0 15 24 1 0 0 0 24 25 1 0 0 0 25 12 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD03093700 > A > 538949 > - > - > - > - $$$$ 25 26 0 0 0 0 0 0 0 0 1 V2000 -5.2054 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2054 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9064 -0.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6074 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6074 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9064 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3084 2.0950 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.9064 3.5950 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.5044 2.0950 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.5044 -0.9049 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.9064 -2.4049 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3084 -0.9049 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0095 -0.1550 0.0000 Zn 0 0 0 0 0 0 0 0 0 0 0 0 1.2895 -0.9049 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5885 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -0.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1864 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1864 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5885 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2895 2.0950 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 3.5950 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4854 2.0950 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4854 -0.9049 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -2.4049 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 2 3 1 0 0 0 0 2 10 1 0 0 0 0 3 4 2 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 17 18 2 0 0 0 0 17 24 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD03701518 > A > 550825 > - > - > - > - $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 8.0125 -5.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2958 -5.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -4.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7292 -5.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2333 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 -5.3583 0.0000 Zn 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 6 5 1 0 0 0 0 7 5 2 0 0 0 0 8 5 1 0 0 0 0 6 9 1 0 0 0 0 9 2 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD00012454 > A > 383317 > - > - > - > - $$$$ 37 38 0 0 0 0 0 0 0 0 1 V2000 -5.0503 -1.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5304 1.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5304 2.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3703 1.3948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1303 -1.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7304 -0.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7304 -0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5304 -1.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3403 -0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3403 -0.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5304 0.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1593 -1.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0503 -0.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0503 -2.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1303 -2.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1303 -0.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1003 0.3098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1403 -1.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0994 1.3948 0.0000 Zn 0 0 0 0 0 0 0 0 0 0 0 0 1.5785 1.3948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6185 1.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6185 2.3249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6185 0.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8194 0.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8194 -0.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6194 -1.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4193 -0.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4193 0.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2293 -1.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0093 -1.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0093 -0.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0795 -1.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0093 -2.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2293 -2.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1593 -1.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2293 -0.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2293 0.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 4 19 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 18 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 30 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 28 37 1 0 0 0 0 29 34 1 0 0 0 0 29 35 1 0 0 0 0 29 36 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD00075334 > A > 345881 > - > - > - > - $$$$ 25 22 0 0 0 0 0 0 0 0 1 V2000 -5.5850 2.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2859 2.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9869 2.9099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6879 2.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 2.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9099 2.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 2.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5079 2.1599 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.6879 0.6599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 4.4099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9099 0.6599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 4.4099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4849 -2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1859 -2.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8870 -2.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5879 -2.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 -2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0099 -2.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 -2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6080 -2.8499 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5879 -4.3499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 -0.5999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0099 -4.3499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 -0.5999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2149 0.1799 0.0000 Zn 0 2 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD00040435 > A > 453641 > - > - > - > - $$$$ 17 16 0 0 0 0 0 0 0 0 1 V2000 -0.8837 -0.0007 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5981 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3126 -0.0007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0271 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7415 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5981 1.2339 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3126 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0246 -1.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1692 0.4118 0.0000 Zn 0 0 0 0 0 0 0 0 0 0 0 0 0.8837 -0.0007 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5981 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3126 -0.0007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0271 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7415 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5981 1.2339 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3126 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0246 -1.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 2 6 2 0 0 0 3 7 1 0 0 0 7 8 1 0 0 0 9 1 1 0 0 0 10 9 1 0 0 0 11 10 1 0 0 0 12 11 1 0 0 0 13 12 1 0 0 0 14 13 1 0 0 0 11 15 2 0 0 0 12 16 1 0 0 0 16 17 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD00064798 > A > 329703 > - > - > - > - $$$$ 12 8 0 0 0 0 0 0 0 0 1 V2000 -3.8849 0.0751 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 -3.8849 -1.4248 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.8849 1.5748 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.3849 0.0751 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3849 0.0751 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3248 -0.0748 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 0.8248 -0.0748 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8248 -0.0748 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3248 1.4248 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3248 -1.5748 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9749 -0.0148 0.0000 Zn 0 2 0 0 0 0 0 0 0 0 0 0 5.3849 -0.0148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD00150371 > A > 333875 > - > - > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -4.6723 4.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3710 3.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3629 4.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3710 0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6451 3.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3629 -0.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6451 0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6586 4.4425 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6723 0.9310 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6723 3.2757 0.0000 Zn 0 0 0 0 0 0 0 0 0 0 0 0 1.1778 -4.4425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD00149376 > A > 309265 > - > - > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 1.0236 1.4727 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5088 0.0639 0.0000 Zn 0 0 0 0 0 0 0 0 0 0 0 0 2.2634 -0.5745 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0432 -1.5385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8463 1.1102 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1967 -2.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4263 -2.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7691 -1.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7146 2.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9874 2.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2634 0.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 8 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD00013233 > A > 325287 > - > - > - > - $$$$ 19 18 0 0 0 0 0 0 0 0 1 V2000 -0.8649 0.2599 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1504 0.6724 0.0000 Zn 0 0 0 0 0 0 0 0 0 0 0 0 0.8649 0.2599 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8649 -0.5622 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.0427 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8649 -1.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6870 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5793 0.6724 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.9904 -0.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2913 1.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1683 1.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5793 0.6724 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.1683 1.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2913 1.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9904 -0.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8649 -0.5622 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.6870 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8649 -1.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0427 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 1 4 1 0 0 0 4 5 1 0 0 0 4 6 1 0 0 0 4 7 1 0 0 0 1 8 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 3 12 1 0 0 0 12 13 1 0 0 0 12 14 1 0 0 0 12 15 1 0 0 0 3 16 1 0 0 0 16 17 1 0 0 0 16 18 1 0 0 0 16 19 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 4 5 6 7 M SBL 1 1 3 M SMT 1 TMS M SBV 1 3 -4.7590 4.7229 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 8 9 10 11 M SBL 2 1 7 M SMT 2 ^TMS M SBV 2 7 -5.4735 5.9575 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 12 13 14 15 M SBL 3 1 11 M SMT 3 TMS M SBV 3 11 -4.0445 5.9575 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 4 16 17 18 19 M SBL 4 1 15 M SMT 4 TMS M SBV 4 15 -4.7590 4.7229 M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD01321225 > A > 417696 > - > - > - > - $$$$ 27 26 0 0 0 0 0 0 0 0 1 V2000 0.0957 -1.5854 0.0000 Zn 0 0 0 0 0 0 0 0 0 0 0 0 -1.7423 -0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8730 0.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6699 0.4245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7423 -1.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0278 -1.5749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9142 -0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8730 0.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -0.0753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9142 -1.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1997 -1.5749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8730 1.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6980 1.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8730 2.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0480 1.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8730 1.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0480 1.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8730 1.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 1.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6312 -1.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0436 -0.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3455 -1.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2187 -2.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4593 -1.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0468 -2.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1737 -1.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8718 -0.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 12 3 1 0 0 0 3 4 2 0 0 0 5 2 2 0 0 0 24 5 1 0 0 0 5 6 1 0 0 0 8 7 1 0 0 0 16 8 1 0 0 0 8 9 2 0 0 0 10 7 2 0 0 0 20 10 1 0 0 0 10 11 1 0 0 0 1 6 1 0 0 0 1 11 1 0 0 0 12 13 1 0 0 0 12 14 1 0 0 0 12 15 1 0 0 0 16 17 1 0 0 0 16 18 1 0 0 0 16 19 1 0 0 0 20 21 1 0 0 0 20 22 1 0 0 0 20 23 1 0 0 0 24 25 1 0 0 0 24 26 1 0 0 0 24 27 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD00192578 > A > 417734 > - > - > - > - $$$$ 14 12 0 0 0 0 0 0 0 0 1 V2000 -0.6494 2.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6494 1.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9564 1.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9483 2.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2552 2.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2472 1.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5541 1.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5540 2.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8529 2.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8529 1.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8529 5.0381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7165 1.0366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7165 2.4403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7550 -5.0381 0.0000 Zn 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 13 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD00067246 > A > 329584 > - > - > - > - $$$$ 23 24 0 0 0 0 0 0 0 0 1 V2000 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 Zn 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 1.4292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.4250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8292 -1.4250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8292 1.4292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4708 1.4292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2958 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 -1.4250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 1.4292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4708 -1.4250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 6 2 0 0 0 0 11 3 2 0 0 0 0 12 11 1 0 0 0 0 13 10 1 0 0 0 0 14 3 1 0 0 0 0 15 4 1 0 0 0 0 16 6 1 0 0 0 0 17 5 1 0 0 0 0 18 11 1 0 0 0 0 19 12 1 0 0 0 0 20 10 1 0 0 0 0 21 13 1 0 0 0 0 22 9 1 0 0 0 0 23 8 1 0 0 0 0 12 8 2 0 0 0 0 13 9 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD03701564 > A > 566748 > - > - > - > - $$$$ 26 24 0 0 0 0 0 0 0 0 1 V2000 1.9542 -7.6167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -7.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -7.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2258 -5.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5114 -5.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9402 -5.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9402 -6.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5114 -6.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2258 -7.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2258 -7.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2258 -4.5603 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.0522 -4.5603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2258 -3.7367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4036 -4.5603 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9992 -5.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2806 -5.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7094 -5.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2806 -6.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7094 -6.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9992 -7.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9992 -7.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9992 -4.6004 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.1728 -4.6004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9992 -3.7782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8214 -4.6004 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6167 -3.8083 0.0000 Zn 0 2 0 0 0 0 0 0 0 0 0 0 5 8 2 0 0 0 0 7 9 2 0 0 0 0 9 10 1 0 0 0 0 8 9 1 0 0 0 0 4 11 1 0 0 0 0 2 3 1 0 0 0 0 1 2 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 18 20 1 0 0 0 0 15 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 6 7 1 0 0 0 0 G 11 4 SO3- G 22 15 SO3- M CHG 3 14 -1 25 -1 26 2 M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 4 11 12 13 14 M SBL 1 1 5 M SMT 1 SO3- M SBV 1 5 0.0000 -0.8300 M SAL 2 4 22 23 24 25 M SBL 2 1 20 M SMT 2 SO3- M SBV 2 20 0.0000 -0.8200 M SDS EXP 2 1 2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD00151013 > A > 345490 > F > 89765 > - > - $$$$ 17 14 0 0 0 0 0 0 0 0 1 V2000 4.5261 -3.1334 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.5261 -2.5334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5261 -3.7334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0810 -3.1209 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.0341 -3.1646 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 7.0341 -2.5646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0341 -3.7646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2078 -3.1500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.5500 -4.4958 0.0000 Zn 0 2 0 0 0 0 0 0 0 0 0 0 3.9261 -3.1334 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9261 -3.7313 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3282 -3.1334 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9261 -2.5354 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6320 -3.1646 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6320 -3.7625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0341 -3.1646 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6320 -2.5667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5 7 2 0 0 0 0 5 14 1 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 4 1 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 1 1 0 0 0 0 8 5 1 0 0 0 0 5 6 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 G 10 1 CF3 G 14 5 CF3 M CHG 3 4 -1 8 -1 9 2 M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 4 10 11 12 13 M SBL 1 1 9 M SMT 1 CF3 M SBV 1 9 0.6000 0.0000 M SAL 2 4 14 15 16 17 M SBL 2 1 2 M SMT 2 CF3 M SBV 2 2 -0.5900 0.0000 M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD00013229 > A > 290068 > F > 96517 > - > - $$$$ 19 18 0 0 0 0 0 0 0 0 1 V2000 0.4333 2.3917 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -3.0333 2.4250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.3458 2.9208 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.1208 2.9542 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4750 2.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9417 2.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0333 1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4333 1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 1.1875 0.0000 Zn 0 2 0 0 0 0 0 0 0 0 0 0 1.3458 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9417 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9417 -0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 -0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3458 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4333 -0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0333 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 2 0 0 0 0 6 2 2 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 10 8 1 0 0 0 0 11 8 2 0 0 0 0 12 7 2 0 0 0 0 13 7 1 0 0 0 0 14 11 1 0 0 0 0 15 12 1 0 0 0 0 16 13 2 0 0 0 0 17 10 2 0 0 0 0 18 14 2 0 0 0 0 19 16 1 0 0 0 0 17 18 1 0 0 0 0 19 15 2 0 0 0 0 M CHG 3 3 -1 4 -1 9 2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD00036109 > F > 12615 > - > - > - > - $$$$ 18 16 0 0 0 0 0 0 0 0 1 V2000 6.0375 -5.9646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -5.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9375 -5.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -4.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0375 -4.9254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 -5.4450 0.0000 Zn 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 -4.9254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8375 -4.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -5.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8375 -5.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 -5.9646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5385 -4.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5385 -6.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9365 -6.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9365 -4.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -6.9292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -6.8667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 6 1 0 0 0 0 8 12 1 0 0 0 0 10 13 1 0 0 0 0 2 14 1 0 0 0 0 4 15 1 0 0 0 0 16 17 1 0 0 0 0 1 2 2 0 0 0 0 16 18 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD00149060 > A > 132306 > F > 96461 > - > - $$$$ 41 50 0 0 0 0 0 0 0 0 1 V2000 1.7092 -0.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0852 -1.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5020 -2.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7656 -1.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8923 -0.8421 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0896 0.0162 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0233 -2.0136 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7456 -1.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4822 -2.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0656 -1.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7117 -0.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8946 -0.8642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0886 -0.0264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7164 0.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 1.4843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4988 2.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7654 1.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8985 0.8758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0204 2.0405 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7459 1.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4719 2.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0554 1.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7048 0.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8885 0.8840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1653 0.0367 0.0000 Zn 0 0 0 0 0 0 0 0 0 0 0 0 -2.8623 -1.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0756 -2.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4923 -3.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6955 -2.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7143 -2.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5098 -3.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 -2.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8807 -1.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8522 1.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0656 2.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4821 3.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6852 2.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7128 2.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5098 3.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0930 2.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8791 1.6975 0.0000 C 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 1 0 5 1 1 0 1 6 2 0 4 7 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 8 2 0 11 13 2 0 7 8 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 14 1 0 17 19 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 20 1 0 19 20 2 0 13 14 1 0 6 23 1 0 18 25 1 0 5 25 1 0 10 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 9 1 0 3 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 2 1 0 22 34 1 0 34 35 2 0 35 36 1 0 36 37 2 0 37 21 1 0 16 38 1 0 38 39 2 0 39 40 1 0 40 41 2 0 41 15 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD00041955 > A > 341169 > F > 06969 > - > - $$$$ 15 14 0 0 0 0 0 0 0 0 1 V2000 -1.5981 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8837 -0.2613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1692 0.1512 0.0000 Zn 0 0 0 0 0 0 0 0 0 0 0 0 -1.5981 0.9733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8837 -0.2613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5981 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5981 0.9733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3126 -0.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9015 -0.9733 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0246 -0.6724 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.7237 0.4507 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3126 -0.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7237 0.4507 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0246 -0.6724 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9015 -0.9733 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 1 4 2 0 0 0 5 3 1 0 0 0 6 5 1 0 0 0 12 6 1 0 0 0 6 7 2 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 12 13 1 0 0 0 12 14 1 0 0 0 12 15 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD00061595 > A > 394017 > F > 96516 > - > - $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 3.5646 -2.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0842 -3.2521 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6038 -2.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1234 -3.2521 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6430 -2.9521 0.0000 Zn 0 0 0 0 0 0 0 0 0 0 0 0 6.3502 -3.2521 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8698 -2.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3894 -3.2521 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.9090 -2.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6038 -2.3542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8698 -2.3542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0842 -3.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3894 -3.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 3 10 2 0 0 0 0 7 11 2 0 0 0 0 2 12 1 0 0 0 0 8 13 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD00064797 > A > 329711 > F > 96480 > R > 45708 $$$$ 36 36 0 0 0 0 0 0 0 0 1 V2000 -1.8497 -0.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8497 0.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5572 0.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5572 -0.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1449 0.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1449 -0.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8497 1.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8497 -1.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1449 1.9438 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.0675 -1.8408 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.9494 1.5628 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.0096 -1.4310 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.4258 -1.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4630 1.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2533 -1.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2188 2.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4258 -0.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4258 0.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2650 0.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2650 -0.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1449 2.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0675 -2.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6571 2.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7401 -1.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0096 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9494 0.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9698 -0.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2533 -0.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2533 0.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9698 0.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2577 1.2427 0.0000 Zn 0 0 0 0 0 0 0 0 0 0 0 0 3.9698 0.8316 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5456 0.8316 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2004 -0.7627 0.0000 Zn 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 -1.1738 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4883 -1.1738 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 0 0 0 0 1 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 10 13 1 0 0 0 0 9 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 6 17 2 0 0 0 0 5 18 2 0 0 0 0 3 19 1 0 0 0 0 4 20 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 11 26 1 0 0 0 0 20 27 2 0 0 0 0 17 28 1 0 0 0 0 28 29 2 0 0 0 0 27 30 1 0 0 0 0 3 2 2 0 0 0 0 18 29 1 0 0 0 0 19 30 2 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 1 4 2 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 G 31 0 ZnCl2 G 34 0 ZnCl2 M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 3 31 32 33 M SMT 1 ZnCl2 M SAL 2 3 34 35 36 M SMT 2 ZnCl2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD01862933 > F > 14772 > - > - > - > - $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 0.2202 0.0000 0.0000 Zn 0 0 0 0 0 0 0 0 0 0 0 0 -1.0787 0.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5193 0.7499 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD00011298 > A > 205567 > F > 96481 > - > - $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.3745 0.0000 Zn 0 0 0 0 0 0 0 0 0 0 0 0 -1.2996 -0.3744 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1.2995 -0.3744 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD00011299 > A > 223883 > - > - > - > - $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.4125 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.0000 0.0000 Zn 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD00011301 > R > 14459 > - > - > - > - $$$$ 11 6 0 0 0 0 0 0 0 0 1 V2000 -0.0113 0.9582 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 -0.0113 1.7832 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7233 0.5471 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7006 0.5471 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0394 1.0012 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 3.0394 1.8262 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3274 0.5901 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7514 0.5901 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.6225 1.2676 0.0000 Zn 0 2 0 0 0 0 0 0 0 0 0 0 -3.7514 -0.3223 0.0000 Zn 0 2 0 0 0 0 0 0 0 0 0 0 -3.7085 -1.8262 0.0000 Zn 0 2 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 5 6 1 0 0 0 5 7 1 0 0 0 5 8 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD00069397 > R > 14470 > - > - > - > - $$$$ 3 1 0 0 0 0 0 0 0 0 1 V2000 -0.4125 0.7262 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4125 0.7262 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.3713 -0.7262 0.0000 Zn 0 2 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 1 2 3 M SMT 1 ZnO2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD00137469 > A > 481424 > R > 14449 > - > - $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 0.4333 0.3125 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.2790 -0.1036 0.0000 Zn 0 0 0 0 0 0 0 0 0 0 0 0 1.1499 -0.0964 0.0000 Zn 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 0.3500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.9625 -0.0625 0.0000 Zn 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 2 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD00049631 > R > 04502 > - > - > - > - $$$$ 19 18 0 0 0 0 0 0 0 0 1 V2000 0.4609 -0.5324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1265 -0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8687 0.7387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0437 0.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 -1.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4435 1.4887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9118 -0.2969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6335 1.3062 0.0000 Zn 0 0 0 0 0 0 0 0 0 0 0 0 4.3477 0.8938 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9193 0.8938 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4432 -0.6640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7776 -0.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0354 0.6071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8604 0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1124 -0.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4401 -1.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3477 1.3571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9923 -0.4285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 1 1 0 0 0 1 6 1 0 0 0 4 7 2 0 0 0 2 8 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 12 1 0 0 0 12 17 1 0 0 0 15 18 2 0 0 0 13 19 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 9 10 11 M SMT 1 ZnCl2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD00070587 > S > C6382 > - > - > - > - $$$$ 18 16 0 0 0 0 0 0 0 0 1 V2000 -3.2513 0.0889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5013 0.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0413 0.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1214 0.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6615 0.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1214 -0.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0413 -0.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0614 0.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9282 0.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0614 -0.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9282 -0.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8115 -1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0283 0.0839 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9682 0.0707 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9383 -0.8708 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 4.0083 0.4488 0.0000 Zn 0 0 0 0 0 0 0 0 0 0 0 0 3.5483 1.2458 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9282 0.4488 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 8 9 1 0 0 0 0 10 11 1 0 0 0 0 13 14 3 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD00031676 > S > D5627 > - > - > - > - $$$$ 41 40 0 0 0 0 0 0 0 0 1 V2000 4.6333 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6333 -0.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 -1.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6645 -1.4755 0.0000 Zn 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -0.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1833 -1.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1667 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1333 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5792 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0292 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0083 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5583 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5958 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5000 -1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9833 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4667 -1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9458 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4292 -1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9125 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3958 -1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8792 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3625 -1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8458 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3250 -1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8083 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2917 -1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7750 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2542 -1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7375 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2208 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 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 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 4 7 1 0 0 0 0 3 4 1 0 0 0 0 24 1 1 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 41 5 1 0 0 0 0 5 6 2 0 0 0 0 5 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 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 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 33 34 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 G 24 1 CH3(CH2)15CH^2 G 41 5 CH2(CH2)15CH3 M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 15 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 M SAL 1 2 23 24 M SBL 1 1 11 M SMT 1 CH3(CH2)15CH^2 M SBV 1 11 0.5200 0.3000 M SAL 2 15 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 M SAL 2 2 40 41 M SBL 2 1 14 M SMT 2 CH2(CH2)15CH3 M SBV 2 14 -0.5200 0.3000 M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD00013031 > R > 26423 > - > - > - > - $$$$ 1 0 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 Zn 0 0 0 0 0 0 0 0 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD00011291 > 1 > 243469 > A > 215481 > R > 14401 $$$$ 11 8 0 0 0 0 0 0 0 0 1 V2000 -2.3152 0.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6008 0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8863 0.0215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6008 1.2561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1719 0.4340 0.0000 Zn 0 0 0 0 0 0 0 0 0 0 0 0 0.8863 0.0645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6008 0.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3152 0.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6008 1.2991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1015 -1.2991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0351 -1.2561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 2 0 0 0 5 3 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 8 7 1 0 0 0 7 9 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD00066961 > 1 > 383058 > F > 77606 > R > 25044 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 -0.2055 -0.3560 0.0000 Zn 0 0 0 0 0 0 0 0 0 0 0 0 -0.6166 0.3560 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 -0.3560 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD00011294 > 1 > 216321 > A > 230022 > F > 96465 $$$$ 3 0 0 0 0 0 0 0 0 0 1 V2000 -0.6917 0.4042 0.0000 Zn 0 2 0 0 0 0 0 0 0 0 0 0 -1.4417 -0.5625 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 0.2417 -0.3833 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 G 1 0 ZnCl2 M CHG 3 1 2 2 -1 3 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 1 2 3 M SMT 1 ZnCl2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD00011295 > 1 > 208086 > A > 229997 > F > 96468 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.4111 0.0000 0.0000 Zn 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 1 2 M SMT 1 ZnO M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD00011300 > 1 > 251607 > A > 677450 > R > 14441 $$$$ 13 4 0 0 0 0 0 0 0 0 1 V2000 -3.2477 0.0344 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.5333 0.4469 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8188 0.0344 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.5333 1.2690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5333 -0.3753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2495 2.2773 0.0000 Zn 0 2 0 0 0 0 0 0 0 0 0 0 0.4136 -0.0430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 -1.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8198 -0.4727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3589 -2.0195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1636 -2.2773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9487 0.4727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2495 1.7617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 2 0 0 0 2 5 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16254971 > MFCD00149894 > 1 > 221376 > R > 14455 > - > - $$$$