23 21 0 0 0 0 0 0 0 0 1 V2000 -0.8299 -0.7517 0.0000 Pr 0 0 0 0 0 0 0 0 0 0 0 0 -2.3599 0.1308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3799 0.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8899 -0.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3799 -1.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3599 -1.6347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0528 0.7779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0528 1.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8299 2.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7129 1.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7129 0.7779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6996 -1.6347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7196 -1.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2296 -0.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7196 0.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6996 0.1308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4349 2.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7746 2.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8899 1.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8899 -2.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2296 -2.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2296 1.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8899 -0.6710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 1 16 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00013500 > ALDRICH > 517674 > - > - > - > - > 16251935 $$$$ 8 5 0 0 0 0 0 0 0 0 1 V2000 0.6503 6.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6504 7.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 3.4247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5053 7.4078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6504 9.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5054 6.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3206 -2.6218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2007 -9.9934 0.0000 Pr 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00150147 > ALDRICH > 325856 > - > - > - > - > 16251935 $$$$ 10 3 0 0 0 0 0 0 0 0 1 V2000 3.8030 -2.1712 0.0000 Pr 0 0 0 0 0 0 0 0 0 0 0 0 3.8030 -1.3462 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5149 -2.5823 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0910 -2.5823 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.8018 -0.1860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9307 -1.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0167 -1.9907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1456 -3.1509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 -4.2681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3174 -4.9556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00149828 > ALDRICH > 205141 > - > - > - > - > 16251935 $$$$ 15 9 0 0 0 0 0 0 0 0 1 V2000 -1.2200 0.2750 0.0000 Pr 0 1 0 0 0 0 0 0 0 0 0 0 1.3780 0.2749 0.0000 Pr 0 1 0 0 0 0 0 0 0 0 0 0 -3.2799 1.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9809 2.0650 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.5790 2.0649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2799 -0.1850 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7200 0.0149 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7199 1.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4209 2.2649 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0190 2.2650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1899 -1.7249 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1090 -2.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4079 -1.7249 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1089 -3.9749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1799 0.8949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00149954 > ALDRICH > 467324 > - > - > - > - > 16251935 $$$$ 41 39 0 0 0 0 0 0 0 0 1 V2000 1.0027 -1.9002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0928 -1.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6328 -0.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0928 -0.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0027 -0.0203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2627 0.7092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2627 1.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6771 2.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6168 1.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6168 0.7092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2669 -0.0203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3568 -0.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8970 -0.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3568 -1.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2669 -1.9002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2449 -2.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2199 -1.8384 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.2069 -3.7752 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.2708 -3.7634 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5650 2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5089 2.3842 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4558 3.7592 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6218 3.4732 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.9451 0.6694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9189 -0.2934 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.9078 1.6433 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8320 1.6233 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0527 2.9992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1321 3.6832 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2386 2.3142 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7378 4.1844 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6328 0.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4457 1.6002 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8207 0.2371 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3144 2.1061 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7328 -3.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5495 -3.6895 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9166 -2.3122 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4216 -4.1844 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6471 -0.9702 0.0000 Pr 0 0 0 0 0 0 0 0 0 0 0 0 5.2199 -0.9755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 40 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 40 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00058835 > ALDRICH > 517593 > - > - > - > - > 16251935 $$$$ 28 27 0 0 0 0 0 0 0 0 1 V2000 2.3509 0.8735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2442 1.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8237 0.5108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1946 0.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6486 0.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7726 1.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2306 1.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7722 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8286 -0.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9273 -1.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8187 -1.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4023 -1.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7707 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2273 -1.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2173 -2.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4109 -2.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3480 -1.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8015 -0.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5834 -1.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4748 -1.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0584 -1.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4268 -1.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8834 -1.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4576 -0.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0041 -1.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8734 -2.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0670 -2.3759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0833 -0.5917 0.0000 Pr 0 0 0 0 0 0 0 0 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 14 1 0 0 0 0 12 15 1 0 0 0 0 4 6 1 0 0 0 0 14 16 1 0 0 0 0 13 17 1 0 0 0 0 2 7 1 0 0 0 0 11 18 1 0 0 0 0 1 8 1 0 0 0 0 5 9 1 0 0 0 0 1 2 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 23 1 0 0 0 0 1 3 1 0 0 0 0 20 24 1 0 0 0 0 2 4 1 0 0 0 0 19 25 1 0 0 0 0 3 5 1 0 0 0 0 21 26 1 0 0 0 0 4 5 1 0 0 0 0 23 27 1 0 0 0 0 10 11 1 0 0 0 0 M RAD 8 1 2 2 2 3 2 4 2 5 2 10 2 11 2 12 2 M RAD 7 13 2 14 2 19 2 20 2 21 2 22 2 23 2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD01863661 > ALDRICH > 510920 > - > - > - > - > 16251935 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.2878 0.0000 Pr 0 0 0 0 0 0 0 0 0 0 0 0 1.2981 -1.0394 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 -1.0394 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0394 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00016287 > ALDRICH > 432091 > - > - > - > - > 16251935 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.0016 -0.2030 0.0000 Pr 0 0 0 0 0 0 0 0 0 0 0 0 1.2997 -0.9544 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2997 -0.9544 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 0.9544 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011176 > ALDRICH > 451215 > - > - > - > - > 16251935 $$$$ 25 12 0 0 0 0 0 0 0 0 1 V2000 -3.6094 2.5745 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6094 3.3995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6094 1.7495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7844 2.5745 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.4344 2.5745 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1289 2.5745 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1289 3.3995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1289 1.7495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6961 2.5745 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9539 2.5745 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6094 2.5745 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6094 3.3995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6094 1.7495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4344 2.5745 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7844 2.5745 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.9236 0.2958 0.0000 Pr 0 1 0 0 0 0 0 0 0 0 0 0 -0.8728 0.6395 0.0000 Pr 0 1 0 0 0 0 0 0 0 0 0 0 -0.3527 -1.6808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4090 -1.5089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0731 -1.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5145 -3.3566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8387 -3.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -3.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7160 -1.9386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3293 -3.3995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 6 7 2 0 0 0 6 8 2 0 0 0 6 9 1 0 0 0 6 10 1 0 0 0 11 12 2 0 0 0 11 13 2 0 0 0 11 14 1 0 0 0 11 15 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00149832 > ALDRICH > 575194 > - > - > - > - > 16251935 $$$$ 16 15 0 0 0 0 0 0 0 0 1 V2000 2.3174 1.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2089 1.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7925 0.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1609 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6174 0.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8940 -1.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7854 -0.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3690 -1.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7374 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1940 -1.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5501 -1.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4415 -1.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0251 -1.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3935 -1.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8501 -1.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -0.3125 0.0000 Pr 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 10 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 5 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 15 1 0 0 0 0 M RAD 8 1 2 2 2 3 2 4 2 5 2 6 2 7 2 8 2 M RAD 7 9 2 10 2 11 2 12 2 13 2 14 2 15 2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00145478 > ALDRICH > 475173 > - > - > - > - > 16251935 $$$$ 19 9 0 0 0 0 0 0 0 0 1 V2000 -2.0464 2.6053 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3320 3.0178 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6175 2.6053 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3320 3.8400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0464 -0.6603 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3320 -0.2478 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6175 -0.6603 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3320 0.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1754 -3.8400 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4609 -3.4275 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7464 -3.8400 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4609 -2.6053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9175 3.2212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9605 1.8892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1754 0.5572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0464 -0.6460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1754 -1.8491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1754 -3.1382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3662 1.0728 0.0000 Pr 0 1 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 2 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 6 8 2 0 0 0 10 9 1 0 0 0 11 10 1 0 0 0 10 12 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00149826 > ALDRICH > 205133 > - > - > - > - > 16251935 $$$$ 19 9 0 0 0 0 0 0 0 0 1 V2000 -2.0464 2.6053 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3320 3.0178 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6175 2.6053 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3320 3.8400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0464 -0.6603 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3320 -0.2478 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6175 -0.6603 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3320 0.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1754 -3.8400 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4609 -3.4275 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7464 -3.8400 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4609 -2.6053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9175 3.2212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9605 1.8892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1754 0.5572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0464 -0.6460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1754 -1.8491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1754 -3.1382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3662 1.0728 0.0000 Pr 0 1 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 2 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 6 8 2 0 0 0 10 9 1 0 0 0 11 10 1 0 0 0 10 12 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00149826 > ALDRICH > 254053 > - > - > - > - > 16251935 $$$$ 28 27 0 0 0 0 0 0 0 0 1 V2000 -0.3235 0.5000 0.0000 Pr 0 0 0 0 0 0 0 0 0 0 0 0 0.9755 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6224 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3235 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6224 -1.7500 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.9755 -1.7500 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -2.9214 0.5000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.6224 2.7500 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.2744 0.5000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.9755 2.7500 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.2744 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9755 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2744 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9214 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6224 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9214 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2204 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9214 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2204 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3235 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9214 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6224 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2744 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2744 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9755 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5734 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5734 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9755 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03427090 > ALDRICH > 547808 > - > - > - > - > 16251935 $$$$ 7 5 0 0 0 0 0 0 0 0 1 V2000 2.4542 -5.2750 0.0000 Pr 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -4.4458 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -5.8542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -5.8542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -4.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -5.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -5.3417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 6 5 1 0 0 0 0 7 5 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00748138 > ALDRICH > 575267 > - > - > - > - > 16251935 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.0016 -0.2030 0.0000 Pr 0 0 0 0 0 0 0 0 0 0 0 0 1.2997 -0.9544 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2997 -0.9544 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 0.9544 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011176 > ALDRICH > 298298 > - > - > - > - > 16251935 $$$$ 17 12 0 0 0 0 0 0 0 0 1 V2000 3.2334 -4.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9459 -4.5667 0.0000 Pr 0 0 0 0 0 0 0 0 0 0 0 0 4.7584 -4.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4709 -4.5250 0.0000 Pr 0 0 0 0 0 0 0 0 0 0 0 0 6.2959 -5.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -3.1833 0.0000 Pr 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 -3.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1375 -3.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -5.9958 0.0000 Pr 0 0 0 0 0 0 0 0 0 0 0 0 4.1083 -6.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -6.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -6.1500 0.0000 Pr 0 0 0 0 0 0 0 0 0 0 0 0 6.6083 -6.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -6.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -3.2792 0.0000 Pr 0 0 0 0 0 0 0 0 0 0 0 0 4.1458 -3.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -3.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6 8 2 0 0 0 0 9 10 2 0 0 0 0 3 4 1 0 0 0 0 9 11 2 0 0 0 0 1 2 2 0 0 0 0 4 5 2 0 0 0 0 12 13 2 0 0 0 0 2 3 1 0 0 0 0 12 14 2 0 0 0 0 15 16 2 0 0 0 0 6 7 2 0 0 0 0 15 17 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011178 > ALDRICH > 205176 > FLUKA > 81500 > - > - > 16251935 $$$$ 6 4 0 0 0 0 0 0 0 0 1 V2000 1.5015 0.1704 0.0000 Pr 0 1 0 0 0 0 0 0 0 0 0 0 -0.6765 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.6765 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6765 -0.8250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1485 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5015 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 2 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00058789 > ALDRICH > 587435 > - > - > - > - > 16251935 $$$$ 58 57 0 0 0 0 0 0 0 0 1 V2000 3.7932 -4.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0788 -4.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0788 -3.5718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5077 -4.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2222 -4.8064 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5077 -3.5718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5089 -2.6580 0.0000 Pr 0 0 0 0 0 0 0 0 0 0 0 0 2.6771 -1.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3916 -0.9990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1036 -1.4101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6771 -2.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9627 -2.6490 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3891 -2.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3210 -1.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6066 -0.9990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8946 -1.4101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3210 -2.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0355 -2.6490 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6091 -2.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3916 -0.1740 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3916 0.6481 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2124 -0.1262 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3246 -0.1119 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4201 0.7047 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5150 0.0309 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0782 -1.1519 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7926 -0.7394 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3637 -1.5644 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3637 -0.7394 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6066 -0.1740 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6066 0.6481 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4035 -0.3876 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1716 0.6780 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6313 0.3538 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5841 1.3925 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0310 -0.3533 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4476 -0.9366 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4435 -1.0677 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.8279 -0.5668 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3643 -4.8064 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6523 -5.2175 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9125 -4.1195 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8440 -5.7615 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0891 -6.0871 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1252 -6.5341 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8678 -5.4550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1534 -5.0425 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6775 -5.3122 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0574 -6.2550 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2458 -2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 -2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9583 -3.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0458 -4.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6167 -3.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4417 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7458 -3.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9 10 2 0 0 0 0 11 8 2 0 0 0 0 12 11 1 0 0 0 0 11 13 1 0 0 0 0 15 14 1 0 0 0 0 30 15 1 0 0 0 0 15 16 2 0 0 0 0 17 14 2 0 0 0 0 18 17 1 0 0 0 0 17 19 1 0 0 0 0 7 13 1 0 0 0 0 7 19 1 0 0 0 0 7 6 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 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 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 40 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 49 1 0 0 0 0 12 50 1 0 0 0 0 2 1 1 0 0 0 0 12 51 1 0 0 0 0 40 2 1 0 0 0 0 12 52 1 0 0 0 0 2 3 2 0 0 0 0 5 53 1 0 0 0 0 4 1 2 0 0 0 0 5 54 1 0 0 0 0 5 4 1 0 0 0 0 5 55 1 0 0 0 0 4 6 1 0 0 0 0 18 56 1 0 0 0 0 9 8 1 0 0 0 0 18 57 1 0 0 0 0 20 9 1 0 0 0 0 18 58 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00064656 > ALDRICH > 161357 > FLUKA > 81505 > - > - > 16251935 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.2754 0.4449 0.0000 Pr 0 0 0 0 0 0 0 0 0 0 0 0 1.5744 1.1949 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.0235 1.1949 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 0.2754 -1.0549 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00049513 > ALDRICH > 466328 > - > - > - > - > 16251935 $$$$ 17 12 0 0 0 0 0 0 0 0 1 V2000 3.2334 -4.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9459 -4.5667 0.0000 Pr 0 0 0 0 0 0 0 0 0 0 0 0 4.7584 -4.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4709 -4.5250 0.0000 Pr 0 0 0 0 0 0 0 0 0 0 0 0 6.2959 -5.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -3.1833 0.0000 Pr 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 -3.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1375 -3.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -5.9958 0.0000 Pr 0 0 0 0 0 0 0 0 0 0 0 0 4.1083 -6.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -6.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -6.1500 0.0000 Pr 0 0 0 0 0 0 0 0 0 0 0 0 6.6083 -6.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -6.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -3.2792 0.0000 Pr 0 0 0 0 0 0 0 0 0 0 0 0 4.1458 -3.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -3.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6 8 2 0 0 0 0 9 10 2 0 0 0 0 3 4 1 0 0 0 0 9 11 2 0 0 0 0 1 2 2 0 0 0 0 4 5 2 0 0 0 0 12 13 2 0 0 0 0 2 3 1 0 0 0 0 12 14 2 0 0 0 0 15 16 2 0 0 0 0 6 7 2 0 0 0 0 15 17 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011178 > ALDRICH > 204145 > FLUKA > 81500 > - > - > 16251935 $$$$ 40 39 0 0 0 0 0 0 0 0 1 V2000 4.5538 -5.9033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2683 -5.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9827 -5.9033 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2683 -4.6686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3683 -3.3252 0.0000 Pr 0 0 0 0 0 0 0 0 0 0 0 0 3.8393 -5.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1249 -5.9033 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8393 -4.6686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9827 -6.7254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1963 -5.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8077 -5.9033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1249 -6.7254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4129 -5.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4104 -6.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4532 -0.5871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4532 -1.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7387 -1.8246 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1652 -1.8232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1677 -0.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1677 0.6504 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8797 -0.5857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0268 -1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3221 -2.4079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3262 -2.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4557 1.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8797 1.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1677 1.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7384 -0.5871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7384 -1.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4529 -1.8246 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0264 -1.8232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0239 -0.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0239 0.6504 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3119 -0.5857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1648 -1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8695 -2.4079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8654 -2.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7359 1.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3119 1.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0239 1.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 2 4 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 6 8 2 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 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 16 15 2 0 0 0 0 17 16 1 0 0 0 0 16 18 1 0 0 0 0 19 15 1 0 0 0 0 20 19 1 0 0 0 0 19 21 2 0 0 0 0 17 22 1 0 0 0 0 17 23 1 0 0 0 0 17 24 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 0 0 0 0 20 27 1 0 0 0 0 29 28 2 0 0 0 0 30 29 1 0 0 0 0 29 31 1 0 0 0 0 32 28 1 0 0 0 0 33 32 1 0 0 0 0 32 34 2 0 0 0 0 30 35 1 0 0 0 0 30 36 1 0 0 0 0 30 37 1 0 0 0 0 33 38 1 0 0 0 0 33 39 1 0 0 0 0 33 40 1 0 0 0 0 4 5 1 0 0 0 0 5 31 1 0 0 0 0 5 18 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000027 > ALDRICH > 160881 > - > - > - > - > 16251935 $$$$ 17 12 0 0 0 0 0 0 0 0 1 V2000 3.2334 -4.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9459 -4.5667 0.0000 Pr 0 0 0 0 0 0 0 0 0 0 0 0 4.7584 -4.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4709 -4.5250 0.0000 Pr 0 0 0 0 0 0 0 0 0 0 0 0 6.2959 -5.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -3.1833 0.0000 Pr 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 -3.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1375 -3.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -5.9958 0.0000 Pr 0 0 0 0 0 0 0 0 0 0 0 0 4.1083 -6.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -6.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -6.1500 0.0000 Pr 0 0 0 0 0 0 0 0 0 0 0 0 6.6083 -6.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -6.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -3.2792 0.0000 Pr 0 0 0 0 0 0 0 0 0 0 0 0 4.1458 -3.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -3.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6 8 2 0 0 0 0 9 10 2 0 0 0 0 3 4 1 0 0 0 0 9 11 2 0 0 0 0 1 2 2 0 0 0 0 4 5 2 0 0 0 0 12 13 2 0 0 0 0 2 3 1 0 0 0 0 12 14 2 0 0 0 0 15 16 2 0 0 0 0 6 7 2 0 0 0 0 15 17 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011178 > ALDRICH > 634263 > FLUKA > 81500 > - > - > 16251935 $$$$ 13 9 0 0 0 0 0 0 0 0 1 V2000 -3.7500 -1.7958 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0167 2.6792 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8750 -2.0875 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4208 -1.0292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0167 1.1458 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3583 3.4458 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.0875 -1.0167 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5458 -1.2750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8750 -3.6167 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.2167 -1.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3083 3.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 -3.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2292 -0.8042 0.0000 Pr 0 1 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 3 1 0 0 0 0 10 3 2 0 0 0 0 11 2 2 0 0 0 0 12 1 2 0 0 0 0 M CHG 8 1 1 2 1 3 1 4 -1 5 -1 6 -1 7 -1 8 -1 M CHG 2 9 -1 13 3 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00149825 > FLUKA > 81495 > - > - > - > - > 16251935 $$$$ 1 0 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 Pr 0 0 0 0 0 0 0 0 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011174 > ALDRICH > 261173 > FLUKA > 81490 > - > - > 16251935 $$$$ 1 0 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 Pr 0 0 0 0 0 0 0 0 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011174 > ALDRICH > 263176 > FLUKA > 81490 > - > - > 16251935 $$$$ 9 7 0 0 0 0 0 0 0 0 1 V2000 -0.8440 2.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4558 1.9752 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1496 1.9752 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0619 4.0855 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6319 4.0855 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5081 0.1576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5964 0.1576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1496 2.9544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4388 -4.0854 0.0000 Pr 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 2 0 0 0 0 2 7 2 0 0 0 0 2 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00192417 > ALDRICH > 425702 > - > - > - > - > 16251935 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.0016 -0.2030 0.0000 Pr 0 0 0 0 0 0 0 0 0 0 0 0 1.2997 -0.9544 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.2997 -0.9544 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 0.9544 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00049762 > ALDRICH > 439703 > - > - > - > - > 16251935 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.8243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.8243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 8 3 1 0 0 0 9 8 1 0 0 0 10 9 1 0 0 0 11 2 1 0 0 0 12 11 1 0 0 0 13 12 1 0 0 0 A 1 Pr M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00145157 > ALDRICH > 410144 > - > - > - > - > 16251935 $$$$