38 41 0 0 0 0 0 0 0 0 1 V2000 -0.7404 1.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6569 1.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2244 1.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6426 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0858 1.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8167 2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0083 2.5697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2353 3.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 0.3125 0.0000 Co 0 0 0 0 0 0 0 0 0 0 0 0 -1.2285 -1.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8306 -0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3389 -0.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7368 -1.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1181 -0.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5992 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3099 0.6293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5936 1.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3096 -0.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 0.6265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7548 0.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3422 0.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5800 1.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9912 0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7546 1.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5772 0.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 -1.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 -2.6245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2037 -3.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 -2.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6216 -3.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2009 -1.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3118 -1.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0301 -1.4376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7407 -2.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0244 -3.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7404 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3078 -2.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 2 4 1 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 19 17 2 0 0 0 0 18 20 2 0 0 0 0 7 9 1 0 0 0 0 21 22 2 0 0 0 0 3 5 1 0 0 0 0 23 24 1 0 0 0 0 4 5 1 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 21 26 1 0 0 0 0 22 25 1 0 0 0 0 25 23 2 0 0 0 0 24 26 2 0 0 0 0 11 12 2 0 0 0 0 27 28 2 0 0 0 0 12 13 1 0 0 0 0 29 30 1 0 0 0 0 13 14 2 0 0 0 0 14 11 1 0 0 0 0 12 15 1 0 0 0 0 13 21 1 0 0 0 0 27 32 1 0 0 0 0 28 31 1 0 0 0 0 31 29 2 0 0 0 0 30 32 2 0 0 0 0 11 27 1 0 0 0 0 33 34 2 0 0 0 0 14 33 1 0 0 0 0 35 36 1 0 0 0 0 3 6 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 33 38 1 0 0 0 0 34 37 1 0 0 0 0 37 35 2 0 0 0 0 36 38 2 0 0 0 0 G 15 12 Ph G 21 13 Ph G 27 11 Ph G 33 14 Ph M RAD 5 1 2 2 2 3 2 4 2 5 2 M STY 4 1 SUP 2 SUP 3 SUP 4 SUP M SLB 4 1 1 2 2 3 3 4 4 M SAL 1 6 15 16 17 18 19 20 M SBL 1 1 25 M SMT 1 Ph M SBV 1 25 -0.7100 -0.4100 M SAL 2 6 21 22 23 24 25 26 M SBL 2 1 26 M SMT 2 Ph M SBV 2 26 0.4100 -0.7100 M SAL 3 6 27 28 29 30 31 32 M SBL 3 1 31 M SMT 3 Ph M SBV 3 31 -0.6000 0.6000 M SAL 4 6 33 34 35 36 37 38 M SBL 4 1 33 M SMT 4 Ph M SBV 4 33 0.5800 0.5300 M END > (C) 2008 SIGMA-ALDRICH CO. > 16245000 > A_____661170 > A > 661170 > - > - > - > - $$$$ 1 0 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 Co 0 0 0 0 0 0 0 0 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16245000 > MFCD00197977 > A > 510084 > - > - > - > - $$$$ 40 52 0 0 0 0 0 0 0 0 1 V2000 1.1037 7.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0393 7.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0393 -0.0968 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 -0.2522 4.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8206 4.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4292 -3.6873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6437 -3.6873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8206 -5.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4292 3.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6437 3.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0393 -7.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2522 -5.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 6.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9775 7.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9775 9.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 9.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1077 9.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1017 -9.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5376 -9.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9776 -9.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9776 -7.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5376 -6.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0977 -7.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 -5.0829 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 4.8829 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.3376 4.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1702 3.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8302 3.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6602 4.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8302 6.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1702 6.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4975 -5.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3306 -6.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9906 -6.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8206 -5.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9906 -3.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3306 -3.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0893 0.2229 0.0000 Co 0 0 0 0 0 0 0 0 0 0 0 0 5.5269 1.0529 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0893 -1.4370 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 10 1 0 0 0 0 4 25 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 12 1 0 0 0 0 8 11 2 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 25 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 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 32 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 32 33 2 0 0 0 0 32 37 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16245000 > MFCD03427161 > A > 555134 > - > - > - > - $$$$ 24 25 0 0 0 0 0 0 0 0 1 V2000 5.4000 -4.3458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -3.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8000 -4.4333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9333 -6.0750 0.0000 Co 0 0 0 0 0 0 0 0 0 0 0 0 6.7958 -6.7875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1458 -6.7917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8000 -5.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0333 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6208 -5.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6208 -6.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 -6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3833 -7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5583 -7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8583 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 -4.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0333 -4.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2708 -5.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8583 -4.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 -4.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 5 13 2 0 0 0 0 6 14 2 0 0 0 0 7 4 1 0 0 0 0 8 4 1 0 0 0 0 9 11 1 0 0 0 0 10 12 2 0 0 0 0 11 7 1 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 14 10 1 0 0 0 0 15 5 1 0 0 0 0 16 6 1 0 0 0 0 17 10 1 0 0 0 0 18 9 2 0 0 0 0 19 12 1 0 0 0 0 20 11 2 0 0 0 0 21 18 1 0 0 0 0 22 24 1 0 0 0 0 23 20 1 0 0 0 0 24 19 2 0 0 0 0 23 21 2 0 0 0 0 17 22 2 0 0 0 0 15 16 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16245000 > MFCD00149054 > A > 236063 > F > 15157 > - > - $$$$ 24 21 0 0 0 0 0 0 0 0 1 V2000 -3.6398 0.2898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7398 -0.6698 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6698 0.2898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7199 1.2398 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0801 0.2898 0.0000 Co 0 1 0 0 0 0 0 0 0 0 0 0 1.4900 -0.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 1.1998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3898 0.2898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6398 0.2898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7401 1.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4599 1.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9799 2.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7299 2.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7099 -1.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9901 -1.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5998 0.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1798 1.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2699 -0.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5198 0.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1098 -0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1098 1.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7498 2.6098 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 2.6198 2.7298 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 -2.3298 -2.7298 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 15 1 0 0 0 0 2 18 1 0 0 0 0 3 16 1 0 0 0 0 3 10 1 0 0 0 0 4 12 1 0 0 0 0 4 17 1 0 0 0 0 6 14 1 0 0 0 0 6 20 1 0 0 0 0 7 13 1 0 0 0 0 7 21 1 0 0 0 0 8 19 1 0 0 0 0 8 11 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16245000 > MFCD00013152 > A > 260991 > - > - > - > - $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.3745 0.0000 Co 0 0 0 0 0 0 0 0 0 0 0 0 -1.2996 -0.3744 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1.2995 -0.3744 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16245000 > MFCD00016030 > A > 343145 > - > - > - > - $$$$ 59 67 0 0 0 0 0 0 0 0 1 V2000 -0.0071 -0.7203 0.0000 Co 0 0 0 0 0 0 0 0 0 0 0 0 1.2907 -1.4721 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.3053 -1.4721 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.0071 0.7791 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.4996 0.1375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1414 -0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2907 -2.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7427 -2.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2477 -0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7426 -2.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3053 -2.4585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8397 1.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0071 2.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8542 1.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0140 -1.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1414 0.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1671 -2.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4178 -2.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7427 -3.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6154 -1.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1203 -1.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2477 0.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7426 -3.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6153 -1.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4290 -2.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1779 -2.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7122 0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8397 2.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8762 2.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8652 2.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7271 0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8542 2.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8867 -0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0140 0.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1671 -3.9876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4178 -3.9876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6154 -3.8226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -2.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9932 -0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1203 0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6153 -3.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4917 -2.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4290 -3.9876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1779 -3.9876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5850 1.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7122 2.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8762 3.9876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8652 3.9876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5998 1.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7271 2.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8867 0.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2907 -4.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -3.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9932 0.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4917 -3.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3053 -4.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5850 2.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0071 4.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5998 2.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 6 15 2 0 0 0 0 6 16 1 0 0 0 0 7 17 2 0 0 0 0 7 18 1 0 0 0 0 8 19 2 0 0 0 0 8 20 1 0 0 0 0 9 21 2 0 0 0 0 9 22 1 0 0 0 0 10 23 2 0 0 0 0 10 24 1 0 0 0 0 11 25 2 0 0 0 0 11 26 1 0 0 0 0 12 27 2 0 0 0 0 12 28 1 0 0 0 0 13 29 2 0 0 0 0 13 30 1 0 0 0 0 14 31 2 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 2 0 0 0 0 17 35 1 0 0 0 0 18 36 2 0 0 0 0 19 37 1 0 0 0 0 20 38 2 0 0 0 0 21 39 1 0 0 0 0 22 40 2 0 0 0 0 23 41 1 0 0 0 0 24 42 2 0 0 0 0 25 43 1 0 0 0 0 26 44 2 0 0 0 0 27 45 1 0 0 0 0 28 46 2 0 0 0 0 29 47 1 0 0 0 0 30 48 2 0 0 0 0 31 49 1 0 0 0 0 32 50 2 0 0 0 0 33 51 2 0 0 0 0 34 51 1 0 0 0 0 35 52 2 0 0 0 0 36 52 1 0 0 0 0 37 53 2 0 0 0 0 38 53 1 0 0 0 0 39 54 2 0 0 0 0 40 54 1 0 0 0 0 41 55 2 0 0 0 0 42 55 1 0 0 0 0 43 56 2 0 0 0 0 44 56 1 0 0 0 0 45 57 2 0 0 0 0 46 57 1 0 0 0 0 47 58 2 0 0 0 0 48 58 1 0 0 0 0 49 59 2 0 0 0 0 50 59 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16245000 > MFCD00015864 > A > 361844 > - > - > - > - $$$$ 22 20 0 0 0 0 0 0 0 0 1 V2000 8.7125 -5.4000 0.0000 P 0 5 0 0 0 0 0 0 0 0 0 0 8.9042 -4.5958 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5208 -6.2042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.5750 -5.2458 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.3083 -5.9667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1125 -4.8333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.9167 -5.6333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -5.5542 0.0000 Co 0 3 0 0 0 0 0 0 0 0 0 0 6.6292 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7250 -7.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 -7.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5833 -2.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6708 -8.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 -7.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -6.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9625 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 -7.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 10 1 0 0 0 0 16 10 1 0 0 0 0 17 9 1 0 0 0 0 18 9 1 0 0 0 0 19 16 1 0 0 0 0 20 17 1 0 0 0 0 21 18 1 0 0 0 0 22 15 1 0 0 0 0 20 21 1 0 0 0 0 19 22 1 0 0 0 0 M CHG 2 1 -1 8 1 M RAD 8 9 2 10 2 15 2 16 2 17 2 18 2 19 2 20 2 M RAD 2 21 2 22 2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16245000 > MFCD01863702 > A > 512524 > - > - > - > - $$$$ 22 16 0 0 0 0 0 0 0 0 1 V2000 -1.6250 0.9099 0.0000 Co 0 2 0 0 0 0 0 0 0 0 0 0 -4.9349 0.9699 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6359 1.7199 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.2339 1.7199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9349 -0.5299 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.9349 2.4700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3150 1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0159 2.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6140 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3150 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3150 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8449 -3.2200 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.3449 -3.2200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3450 -3.2200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8449 -4.7199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8449 -1.7199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -3.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8750 -3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5949 1.4699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 2 6 2 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 7 11 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16245000 > MFCD00151049 > A > 497363 > - > - > - > - $$$$ 57 66 0 0 0 0 0 0 0 0 1 V2000 4.6071 -5.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3545 -6.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5307 -6.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2741 -5.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9393 -5.0947 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.3928 -5.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4964 -5.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1904 -4.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -4.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 -3.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1568 -3.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6601 -3.8468 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4082 -2.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2238 -2.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4811 -1.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3062 -1.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5567 -2.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8877 -2.6137 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.3322 -2.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6322 -3.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4209 -3.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4211 -4.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6554 -4.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1572 -3.8715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9714 -5.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9259 -5.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8181 -1.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9074 -1.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7524 -6.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3358 -7.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1381 -7.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3502 -6.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7668 -5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1309 -5.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5476 -6.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7592 -7.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5631 -7.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1464 -6.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0131 -1.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4299 -0.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6517 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4332 -1.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0164 -2.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7031 -2.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2865 -1.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0741 -0.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 -0.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6897 -1.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9233 -3.8415 0.0000 Co 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -0.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4458 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7208 -7.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5167 -7.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0458 -7.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6667 -7.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0708 -0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -0.2958 0.0000 C 0 0 0 0 0 0 0 0 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 1 0 0 0 0 12 8 2 0 0 0 0 11 13 2 0 0 0 0 7 8 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 14 1 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 20 1 0 0 0 0 19 20 2 0 0 0 0 13 14 1 0 0 0 0 6 23 1 0 0 0 0 6 25 1 0 0 0 0 7 26 1 0 0 0 0 13 27 1 0 0 0 0 19 28 1 0 0 0 0 25 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 25 1 0 0 0 0 26 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 26 1 0 0 0 0 27 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 27 1 0 0 0 0 28 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 28 1 0 0 0 0 49 5 1 0 0 0 0 49 18 1 0 0 0 0 46 50 1 0 0 0 0 1 2 1 0 0 0 0 50 51 1 0 0 0 0 2 3 2 0 0 0 0 31 52 1 0 0 0 0 3 4 1 0 0 0 0 52 53 1 0 0 0 0 4 5 1 0 0 0 0 36 54 1 0 0 0 0 5 1 1 0 0 0 0 54 55 1 0 0 0 0 1 6 2 0 0 0 0 41 56 1 0 0 0 0 4 7 2 0 0 0 0 56 57 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16245000 > MFCD00010724 > A > 275867 > - > - > - > - $$$$ 28 26 0 0 0 0 0 0 0 0 1 V2000 8.2917 -5.6083 0.0000 P 0 5 0 0 0 0 0 0 0 0 0 0 4.6250 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -3.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -4.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 -4.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 -7.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 -7.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 -7.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -6.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1083 -6.3667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5333 -5.9208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.7583 -4.9833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4833 -4.6625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.8625 -6.1792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 -5.3042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -5.4292 0.0000 Co 0 3 0 0 0 0 0 0 0 0 0 0 4.6167 -8.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -7.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 -5.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6208 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -3.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -5.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -7.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 11 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 9 10 1 0 0 0 0 10 6 1 0 0 0 0 11 2 1 0 0 0 0 12 1 1 0 0 0 0 13 1 1 0 0 0 0 14 1 1 0 0 0 0 15 1 1 0 0 0 0 16 1 1 0 0 0 0 17 1 1 0 0 0 0 19 7 1 0 0 0 0 20 6 1 0 0 0 0 21 4 1 0 0 0 0 22 3 1 0 0 0 0 23 2 1 0 0 0 0 24 11 1 0 0 0 0 25 5 1 0 0 0 0 26 10 1 0 0 0 0 27 9 1 0 0 0 0 28 8 1 0 0 0 0 5 4 1 0 0 0 0 9 8 1 0 0 0 0 M CHG 2 1 -1 18 1 M RAD 8 2 2 3 2 4 2 5 2 6 2 7 2 8 2 9 2 M RAD 2 10 2 11 2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16245000 > MFCD00269818 > A > 493678 > - > - > - > - $$$$ 27 32 0 0 0 0 0 0 0 0 1 V2000 0.0000 -4.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.6431 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.3951 0.0000 Co 0 0 0 0 0 0 0 0 0 0 0 0 1.0496 -3.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0494 -3.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1967 -0.7308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 -0.7308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8584 1.8483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8583 1.8483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3414 -3.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3414 -3.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2464 0.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8682 -1.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2465 0.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8682 -1.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0522 2.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0522 2.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1060 1.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1061 1.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0057 3.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0057 3.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3003 2.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3003 2.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1529 4.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1528 4.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3003 3.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3003 3.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 2 0 0 0 0 6 13 1 0 0 0 0 7 14 2 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 10 15 1 0 0 0 0 11 13 1 0 0 0 0 12 18 1 0 0 0 0 14 19 1 0 0 0 0 16 19 1 0 0 0 0 16 20 2 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 18 22 2 0 0 0 0 19 23 2 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 24 27 2 0 0 0 0 25 26 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16245000 > MFCD00134174 > A > 360155 > - > - > - > - $$$$ 26 28 0 0 0 0 0 0 0 0 1 V2000 -1.9347 -1.8725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1647 -0.1673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1351 -1.1223 0.0000 Co 0 0 0 0 0 0 0 0 0 0 0 0 0.6047 -0.2923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3949 -1.9323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9348 -0.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 -0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3248 -0.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3248 -1.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 -1.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9348 -1.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2547 0.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6751 0.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1451 1.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6751 1.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2547 1.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7247 1.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6247 -0.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4347 -0.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2347 -0.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2347 -1.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4347 -1.9173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6247 -1.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3547 0.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8349 0.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9347 0.7672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 9 1 0 0 0 0 2 13 1 0 0 0 0 2 24 2 0 0 0 0 3 5 1 0 0 0 0 4 12 1 0 0 0 0 4 25 2 0 0 0 0 5 23 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16245000 > MFCD00167219 > A > 345652 > - > - > - > - $$$$ 20 20 0 0 0 0 0 0 0 0 1 V2000 -1.3753 0.8902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2852 -0.6695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4753 -0.0097 0.0000 Co 0 0 0 0 0 0 0 0 0 0 0 0 0.3549 0.7400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3146 -0.7997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3846 -0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8449 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4149 0.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8449 -1.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7749 -1.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2449 -0.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7749 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4052 -0.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8452 0.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3853 0.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7753 0.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2353 0.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7753 1.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8453 1.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3648 0.6249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 15 1 0 0 0 0 2 13 2 0 0 0 0 3 5 1 0 0 0 0 4 8 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16245000 > MFCD00167295 > A > 268631 > - > - > - > - $$$$ 41 46 0 0 0 0 0 0 0 0 1 V2000 1.2942 0.6747 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.0035 1.4263 0.0000 Co 0 0 0 0 0 0 0 0 0 0 0 0 2.1451 1.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2942 -0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7464 -0.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3015 0.6782 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.0035 2.7573 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4960 2.2879 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0177 0.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1451 2.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1671 -0.8213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4215 -0.8213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7464 -1.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6190 0.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7463 1.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1486 0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 -1.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8904 1.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0177 2.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1671 -1.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4215 -1.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6190 -1.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -0.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6190 1.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7463 2.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1486 -0.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0213 0.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4252 -1.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 -1.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8904 2.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2942 -2.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -1.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4917 1.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6190 3.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0213 -1.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8940 0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4252 -2.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 -2.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4917 2.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8940 -0.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 -3.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 2 0 0 0 0 3 10 1 0 0 0 0 4 11 2 0 0 0 0 4 12 1 0 0 0 0 5 13 2 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 9 18 1 0 0 0 0 10 19 2 0 0 0 0 11 20 1 0 0 0 0 12 21 2 0 0 0 0 13 22 1 0 0 0 0 14 23 2 0 0 0 0 15 24 2 0 0 0 0 15 25 1 0 0 0 0 16 26 2 0 0 0 0 16 27 1 0 0 0 0 17 28 2 0 0 0 0 17 29 1 0 0 0 0 18 30 2 0 0 0 0 19 30 1 0 0 0 0 20 31 2 0 0 0 0 21 31 1 0 0 0 0 22 32 2 0 0 0 0 23 32 1 0 0 0 0 24 33 1 0 0 0 0 25 34 2 0 0 0 0 26 35 1 0 0 0 0 27 36 2 0 0 0 0 28 37 1 0 0 0 0 29 38 2 0 0 0 0 33 39 2 0 0 0 0 34 39 1 0 0 0 0 35 40 2 0 0 0 0 36 40 1 0 0 0 0 37 41 2 0 0 0 0 38 41 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16245000 > MFCD00010010 > A > 262676 > - > - > - > - $$$$ 41 38 0 0 0 0 0 0 0 0 1 V2000 -10.1609 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8619 1.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5629 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2639 1.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9649 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6659 1.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3669 0.4199 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.6659 2.6699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4599 1.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7589 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7589 -1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4599 -1.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1609 -1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8619 -1.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5629 -1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2639 -1.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9649 -1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6659 -1.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3669 -1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0679 -1.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1629 0.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8640 1.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5650 0.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2659 1.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9670 0.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6680 1.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 0.4899 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6680 2.7400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4620 1.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7609 0.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7609 -1.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4620 -1.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1629 -1.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8640 -1.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5650 -1.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2659 -1.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9670 -1.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6680 -1.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 -1.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0699 -1.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0709 0.4499 0.0000 Co 0 2 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 21 29 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 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 M END > (C) 2008 SIGMA-ALDRICH CO. > 16245000 > MFCD00054343 > A > 544159 > - > - > - > - $$$$ 18 16 0 0 0 0 0 0 0 0 1 V2000 4.7875 -5.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -4.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4459 -5.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -5.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5334 -5.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9334 -8.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2875 -8.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -8.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8209 -7.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0209 -6.6083 0.0000 Co 0 3 0 0 0 0 0 0 0 0 0 0 6.2667 -6.7417 0.0000 P 0 5 0 0 0 0 0 0 0 0 0 0 6.2625 -7.5667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -7.1542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5500 -7.1500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 -6.3042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -6.1500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.2625 -5.9167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 12 13 1 0 0 0 0 5 1 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 M CHG 2 11 1 12 -1 M RAD 8 1 2 2 2 3 2 4 2 5 2 6 2 7 2 8 2 M RAD 2 9 2 10 2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16245000 > MFCD00011874 > A > 279811 > - > - > - > - $$$$ 20 12 0 0 0 0 0 0 0 0 1 V2000 -0.9915 0.4349 0.0000 Co 0 1 0 0 0 0 0 0 0 0 0 0 -2.8993 -0.2550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7664 -0.2850 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0654 0.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0654 1.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7664 2.7149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5324 1.9649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1614 -0.9449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1614 -2.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8624 -3.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4364 -2.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4364 -0.9449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6004 1.9948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8993 2.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1984 1.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1984 0.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1984 0.4049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1715 3.1949 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 -3.7213 -1.3949 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1.6484 -1.2450 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16245000 > MFCD00149055 > A > 260983 > - > - > - > - $$$$ 31 33 0 0 0 0 0 0 0 0 1 V2000 5.4590 -2.4542 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.4590 -3.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9412 -2.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9768 -2.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9412 -1.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4216 -1.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9019 -1.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9019 -2.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4216 -2.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4964 -2.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0160 -2.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0160 -1.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4964 -1.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9768 -1.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9768 -3.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9768 -3.9490 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.4946 -4.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4590 -4.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4946 -4.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0142 -5.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5338 -4.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5338 -4.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0142 -3.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9394 -3.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4198 -4.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4198 -4.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9394 -5.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4590 -4.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7122 -2.9854 0.0000 Co 0 0 0 0 0 0 0 0 0 0 0 0 7.4977 -2.6854 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.4819 -3.3479 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 3 5 2 0 0 0 0 5 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 3 1 0 0 0 0 4 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 4 1 0 0 0 0 2 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 17 1 0 0 0 0 18 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 18 1 0 0 0 0 1 2 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16245000 > MFCD00134173 > A > 360147 > - > - > - > - $$$$ 23 20 0 0 0 0 0 0 0 0 1 V2000 5.0187 -4.3410 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 5.0187 -5.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2074 -4.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8230 -4.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0187 -3.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2240 -3.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7307 -5.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8020 -5.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3067 -3.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1375 -5.9625 0.0000 Co 0 6 0 0 0 0 0 0 0 0 0 0 9.2292 -5.9625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.3125 -5.9625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.1333 -6.7875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.1333 -5.1375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0854 -6.8035 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 5.0854 -7.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2741 -6.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8897 -6.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0854 -5.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2907 -6.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7974 -8.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8687 -7.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3734 -5.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10 12 1 0 0 0 0 1 2 1 0 0 0 0 10 13 1 0 0 0 0 1 3 1 0 0 0 0 10 14 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 4 6 1 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 5 9 1 0 0 0 0 10 11 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 18 20 1 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 19 23 1 0 0 0 0 M CHG 3 1 1 10 -2 15 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16245000 > MFCD00134317 > A > 574252 > - > - > - > - $$$$ 1 0 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 Co 0 0 0 0 0 0 0 0 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16245000 > MFCD00010935 > A > 266639 > - > - > - > - $$$$ 10 7 0 0 0 0 0 0 0 0 1 V2000 7.3416 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6708 -1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2666 -2.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0875 -2.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -3.0083 0.0000 Co 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -3.8417 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 5.1250 -4.0625 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 7.3750 -3.7500 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 8.1208 -4.1250 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 7 8 3 0 0 0 0 5 1 1 0 0 0 0 9 10 3 0 0 0 0 M CHG 4 7 -1 8 1 9 -1 10 1 M RAD 5 1 2 2 2 3 2 4 2 5 2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16245000 > MFCD00009589 > A > 245259 > F > 29672 > - > - $$$$ 21 23 0 0 0 0 0 0 0 0 1 V2000 -0.0201 -0.0199 0.0000 Co 0 0 0 0 0 0 0 0 0 0 0 0 -0.7937 -0.7104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7937 -0.7104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7449 0.7077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7937 0.7135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0139 -0.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0139 -0.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6073 0.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6073 0.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6073 -0.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6073 -0.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4268 -1.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3868 -1.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8277 -0.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8277 -0.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0139 1.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0139 1.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2344 0.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2344 0.6733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8277 1.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8277 1.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 3 10 2 0 1 4 1 0 1 5 1 0 9 6 2 0 7 8 1 0 4 8 1 0 5 9 1 0 7 10 1 0 6 11 1 0 3 12 1 0 2 13 1 0 6 14 1 0 7 15 2 0 9 16 1 0 8 17 2 0 15 18 1 0 19 21 1 0 17 20 1 0 16 21 2 0 18 20 2 0 14 19 2 0 12 13 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16245000 > MFCD00000009 > A > 274712 > - > - > - > - $$$$ 4 2 0 0 0 0 0 0 0 0 1 V2000 0.0016 1.5783 0.0000 Co 0 0 0 0 0 0 0 0 0 0 0 0 -1.2987 0.8306 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2987 0.8306 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.9249 -1.5783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16245000 > MFCD00150208 > A > 334030 > - > - > - > - $$$$ 22 21 0 0 0 0 0 0 0 0 1 V2000 0.0570 0.5149 0.0000 Co 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 2.7649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5409 3.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8399 2.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8399 1.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5409 0.5149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 -1.7350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 -3.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 -3.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 -1.7350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6549 0.5149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9539 1.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9539 2.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6549 3.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 2.7649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1389 0.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5409 5.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2529 0.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6549 5.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6549 -3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5409 -3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 16 1 0 0 0 0 1 11 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 17 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16245000 > MFCD00013488 > F > 60802 > - > - > - > - $$$$ 15 11 0 0 0 0 0 0 0 0 1 V2000 2.6750 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8208 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 -3.6417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2333 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9375 -1.6042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9375 -2.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -2.6250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2333 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -3.6458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -2.6208 0.0000 Co 0 7 0 0 0 0 0 0 0 0 0 0 3.6125 -3.0292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 -1.8083 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 0.4625 -2.7167 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 0.5542 -3.7125 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 3 4 3 0 0 0 0 11 1 1 0 0 0 0 11 3 1 0 0 0 0 5 6 3 0 0 0 0 11 9 1 0 0 0 0 11 7 1 0 0 0 0 7 8 3 0 0 0 0 11 5 1 0 0 0 0 9 10 3 0 0 0 0 1 2 3 0 0 0 0 11 12 3 0 0 0 0 G 3 11 CN G 9 11 CN G 7 11 CN G 5 11 CN G 1 11 CN M CHG 4 11 -3 13 1 14 1 15 1 M STY 5 1 SUP 2 SUP 3 SUP 4 SUP 5 SUP M SLB 5 1 1 2 2 3 3 4 4 5 5 M SAL 1 2 3 4 M SBL 1 1 3 M SDI 1 4 2.6000 -3.0200 2.8500 -2.8800 M SMT 1 CN M SBV 1 3 -0.2700 0.5000 M SAL 2 2 9 10 M SBL 2 1 5 M SDI 2 4 2.2100 -2.8800 2.4600 -3.0300 M SMT 2 CN M SBV 2 5 0.3200 0.5000 M SAL 3 2 7 8 M SBL 3 1 6 M SDI 3 4 2.1400 -2.4700 2.1400 -2.7600 M SMT 3 CN M SBV 3 6 0.6200 0.0000 M SAL 4 2 5 6 M SBL 4 1 8 M SDI 4 4 2.4600 -2.2000 2.2100 -2.3500 M SMT 4 CN M SBV 4 8 0.3200 -0.5100 M SAL 5 2 1 2 M SBL 5 1 2 M SDI 5 4 2.7700 -2.2500 2.4900 -2.1900 M SMT 5 CN M SBV 5 2 -0.1200 -0.6000 M SDS EXP 5 1 2 3 4 5 M END > (C) 2008 SIGMA-ALDRICH CO. > 16245000 > MFCD00011391 > A > 218642 > F > 60270 > R > 12902 $$$$ 18 8 0 0 0 0 0 0 0 0 1 V2000 -0.6083 3.7500 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 3.8708 3.0375 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 -4.1958 2.4292 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 -0.3125 -3.9167 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 4.2083 -2.4750 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 -4.5458 -2.8042 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 4.6917 0.6000 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 -5.0292 0.1917 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 -0.5417 2.2000 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 2.8458 -1.7542 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 -2.8375 1.7125 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 -3.2458 -1.9750 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 2.5750 2.2208 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 3.1625 0.5125 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 -0.3625 -2.3833 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 -3.4958 -0.0083 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 -0.9167 0.8208 0.0000 Co 0 2 0 0 0 0 0 0 0 0 0 0 -0.9000 -0.8333 0.0000 Co 0 2 0 0 0 0 0 0 0 0 0 0 9 1 3 0 0 0 0 10 5 3 0 0 0 0 11 3 3 0 0 0 0 12 6 3 0 0 0 0 13 2 3 0 0 0 0 14 7 3 0 0 0 0 15 4 3 0 0 0 0 16 8 3 0 0 0 0 M CHG 8 1 1 2 1 3 1 4 1 5 1 6 1 7 1 8 1 M CHG 8 9 -1 10 -1 11 -1 12 -1 13 -1 14 -1 15 -1 16 -1 M CHG 2 17 2 18 2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16245000 > MFCD00016024 > F > 60811 > - > - > - > - $$$$ 22 18 0 0 0 0 0 0 0 0 1 V2000 3.8125 0.2292 0.0000 Co 0 7 0 0 0 0 0 0 0 0 0 0 0.6167 -0.1250 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 0.6792 1.1583 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 0.9583 -1.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.8125 -0.8583 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2167 -1.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 -1.2042 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8708 0.7750 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8708 1.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 0.4292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.7583 0.7750 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7583 1.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 0.4292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8125 1.3208 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.4125 1.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 1.6667 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.7583 -0.3125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7583 -1.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 0.0292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8708 -0.3125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8708 -1.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 0.0292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8 10 1 0 0 0 0 1 17 1 0 0 0 0 1 20 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 1 5 1 0 0 0 0 5 6 2 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 5 7 1 0 0 0 0 1 8 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 8 9 2 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 G 1 0 Na3Co(NO2)6 G 17 1 NO2 G 14 1 NO2 G 8 1 NO2 G 5 1 NO2 G 11 1 NO2 G 20 1 NO2 M CHG 8 1 -3 2 1 3 1 4 1 5 1 7 -1 8 1 10 -1 M CHG 8 11 1 13 -1 14 1 16 -1 17 1 19 -1 20 1 22 -1 M STY 7 1 SUP 2 SUP 3 SUP 4 SUP 5 SUP 6 SUP 7 SUP M SLB 7 1 1 2 2 3 3 4 4 5 5 6 6 7 7 M SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SAL 1 7 16 17 18 19 20 21 22 M SMT 1 Na3Co(NO2)6 M SAL 2 3 17 18 19 M SBL 2 1 2 M SMT 2 NO2 M SBV 2 2 -0.9400 0.5400 M SAL 3 3 14 15 16 M SBL 3 1 15 M SMT 3 NO2 M SBV 3 15 0.0000 -1.1000 M SAL 4 3 8 9 10 M SBL 4 1 11 M SMT 4 NO2 M SBV 4 11 0.9400 -0.5500 M SAL 5 3 5 6 7 M SBL 5 1 6 M SMT 5 NO2 M SBV 5 6 0.0000 1.0800 M SAL 6 3 11 12 13 M SBL 6 1 14 M SMT 6 NO2 M SBV 6 14 -0.9400 -0.5500 M SAL 7 3 20 21 22 M SBL 7 1 3 M SMT 7 NO2 M SBV 7 3 0.9400 0.5400 M END > (C) 2008 SIGMA-ALDRICH CO. > 16245000 > MFCD00003512 > 1 > 233722 > - > - > - > - $$$$ 15 6 0 0 0 0 0 0 0 0 1 V2000 -2.5737 0.3609 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.8592 0.7734 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1447 0.3609 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.8592 1.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5307 -1.9164 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.8162 -1.5039 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1017 -1.9164 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.8162 -0.6818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5111 1.9164 0.0000 Co 0 2 0 0 0 0 0 0 0 0 0 0 0.8979 0.4555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9838 -0.5758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0697 -1.6930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4018 0.4555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4877 -0.5758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5737 -1.6930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 2 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 6 8 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16245000 > MFCD00149647 > 1 > 239267 > A > 230375 > F > 60832 $$$$ 9 2 0 0 0 0 0 0 0 0 1 V2000 -2.3373 -0.7176 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6229 -0.3051 0.0000 Co 0 0 0 0 0 0 0 0 0 0 0 0 -0.9084 -0.7176 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5326 1.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6615 0.0215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5326 -1.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2514 0.0215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3373 1.2246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2514 -1.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16245000 > MFCD00149652 > 1 > 255599 > - > - > - > - $$$$ 21 16 0 0 0 0 0 0 0 0 1 V2000 -3.9708 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2583 0.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5458 0.3125 0.0000 Co 0 0 0 0 0 0 0 0 0 0 0 0 -1.8333 0.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4083 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6858 0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9750 -0.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 -0.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6636 -1.2958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3781 -0.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0901 -1.2944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6207 -0.1356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3351 0.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0471 -0.1342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7066 1.0245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4211 1.4370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1331 1.0259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 2.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2062 2.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9182 2.1431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 5 6 1 0 0 0 0 2 3 1 0 0 0 0 1 7 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 1 8 2 0 0 0 0 3 4 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 5 9 2 0 0 0 0 1 2 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 G 10 0 • \n4\nH2O M STY 1 1 SUP M SLB 1 1 1 M SAL 1 12 10 11 12 13 14 15 16 17 18 19 20 21 M SMT 1 • \n4\nH2O M END > (C) 2008 SIGMA-ALDRICH CO. > 16245000 > MFCD00149569 > 1 > 403024 > - > - > - > - $$$$